A0A087XQB5_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 (A0A3P9D5F8), UniProt , Accession A0A087XQB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 451 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
1M69.9Low92.8Very high84 Ų8427.2 Ų27.241%0.41412%0.12SC..  0155.60-151.5-177.5-70.100109.2E3 N50M1-E3 HydrophobicContact CG-CG 4.35Å; M1-E3 HydrophobicContact SD-CG 4.1Å; M1-N50 HydrophobicContact CE-CB 3.91Å; M1-N50 HydrophobicContact SD-CB 3.51Å; M1-N50 VanDerWaalsContact SD-CB 3.51Å
2R81.6Confident92.9Very high120 Ų12026.8 Ų26.845%0.45313%0.126SC..  trans-127.571.9-172.7-80.9-173.5125-168.2-15109.5T51 Q133 D251R2-T51 HydrophobicContact CB-CG2 4.39Å; R2-T51 VanDerWaalsContact O-CB 3.32Å; R2-T51 WeakPolarHBondContact O-CB 3.42Å; R2-T51 WeakPolarHBondContact O-CG2 3.23Å; R2-Q133 VanDerWaalsContact CB-CD 3.5Å; R2-Q133 HydrophobicContact CB-CG 3.85Å; R2-Q133 HydrophobicContact CG-CG 4.25Å; R2-D251 VanDerWaalsContact CZ-CB 3.48Å; R2-D251 IonicContact CZ-OD2 2.85Å; R2-D251 IonicContact NH1-OD2 2.79Å; R2-D251 PolarHBondContact NH1-OD2 3.39Å; R2-D251 IonicContact NH2-OD1 2.71Å; R2-D251 IonicContact NH2-OD2 3.63Å; R2-D251 PolarHBondContact NH2-OD2 3.08Å
3E92.2Very high93.2Very high2 Ų224.8 Ų24.81%0.00912%0.116CC..  trans-74.2143.6-171.1-55.292.6147.300112.3M1 T51 C129 T130 G131 Q133M1-E3 HydrophobicContact CG-CG 4.35Å; M1-E3 HydrophobicContact SD-CG 4.1Å; E3-T51 WeakPolarHBondContact CA-O 3.27Å; E3-C129 HydrophobicContact CB-CB 3.97Å; E3-C129 VanDerWaalsContact CB-SG 3.54Å; E3-C129 HydrophobicContact CG-CB 4.17Å; E3-T130 PolarHBondContact OE1-N 3.2Å; E3-T130 PolarHBondContact OE1-OG1 3.43Å; E3-G131 PolarHBondContact N-O 3Å; E3-G131 VanDerWaalsContact OE2-CA 3.31Å; E3-G131 WeakPolarHBondContact OE2-CA 3.35Å; E3-G131 PolarHBondContact OE2-N 3.37Å; E3-Q133 PolarHBondContact O-N 2.79Å
4C94.2Very high93.5Very high0 Ų023.1 Ų23.10%011%0.108CC..EExtended strand (participates in β ladder)trans-123.8141.1175-64.60000109.3T51 F52 R64 Q133C4-T51 PolarHBondContact N-O 2.85Å; C4-F52 HydrophobicContact CB-CD2 4.38Å; C4-F52 HydrophobicContact CB-CE2 3.91Å; C4-F52 HydrophobicContact CB-CZ 4.3Å; C4-R64 WeakPolarHBondContact O-CB 3.38Å; C4-Q133 PolarHBondContact SG-OE1 3.3Å
5I97.5Very high93.7Very high0 Ų024.6 Ų24.60%012%0.115CC..EExtended strand (participates in β ladder)trans-108.5125.3174.9-64.7169.3000108.5I7 R64 L125 A126 L132 G134 F135 L136I5-I7 HydrophobicContact CG2-CG1 4.2Å; I5-R64 WeakPolarHBondContact CA-O 3.39Å; I5-R64 HydrophobicContact CG1-CB 4.49Å; I5-L125 HydrophobicContact CD1-CB 3.82Å; I5-L125 HydrophobicContact CG1-CB 4.42Å; I5-L125 HydrophobicContact CG2-CD1 4.36Å; I5-A126 HydrophobicContact CD1-CB 4.26Å; I5-L132 HydrophobicContact CB-CD1 4.47Å; I5-L132 HydrophobicContact CD1-CD1 3.73Å; I5-L132 HydrophobicContact CD1-CD2 4.29Å; I5-L132 HydrophobicContact CG1-CD1 3.8Å; I5-G134 PolarHBondContact N-O 3.09Å; I5-F135 HydrophobicContact CB-CD1 3.93Å; I5-F135 HydrophobicContact CB-CE1 4.21Å; I5-F135 HydrophobicContact CD1-CE1 4.12Å; I5-F135 HydrophobicContact CG2-CD1 4.23Å; I5-F135 HydrophobicContact CG2-CE1 4.5Å; I5-F135 CarbonylContact O-C 3.54Å; I5-F135 VanDerWaalsContact O-CA 3.29Å; I5-F135 WeakPolarHBondContact O-CA 3.3Å; I5-L136 PolarHBondContact O-N 2.93Å
6S98.1Very high93.9Very high1 Ų123.3 Ų23.31%0.00711%0.109CC..EExtended strand (participates in β ladder)trans-95.4128174.5-55.80000110.8H8 R64 A65 V66 L136S6-H8 VanDerWaalsContact CB-CE1 3.47Å; S6-H8 WeakPolarHBondContact CB-CE1 3.34Å; S6-R64 PolarHBondContact N-O 2.8Å; S6-A65 CarbonylContact O-C 3.59Å; S6-A65 WeakPolarHBondContact O-CA 3.23Å; S6-V66 PolarHBondContact O-N 3.18Å; S6-L136 CarbonylContact C-O 3.59Å; S6-L136 WeakPolarHBondContact CA-O 3.35Å
7I98.6Very high94.1Very high0 Ų021.9 Ų21.90%010%0.103CC..EExtended strand (participates in β ladder)trans-116.8125.5179.3-51.9167.9000108I5 V9 V66 I122 F135 L136 V137 F138 L153 L157I5-I7 HydrophobicContact CG2-CG1 4.2Å; I7-V9 HydrophobicContact CG2-CG2 4.01Å; I7-V66 WeakPolarHBondContact CA-O 3.37Å; I7-V66 HydrophobicContact CG2-CB 4.5Å; I7-I122 HydrophobicContact CD1-CD1 3.67Å; I7-I122 HydrophobicContact CD1-CG1 4.27Å; I7-I122 HydrophobicContact CG1-CD1 4.38Å; I7-F135 HydrophobicContact CD1-CB 4.29Å; I7-F135 HydrophobicContact CD1-CD1 3.78Å; I7-F135 HydrophobicContact CD1-CG 4.27Å; I7-L136 PolarHBondContact N-O 2.93Å; I7-V137 CarbonylContact O-C 3.54Å; I7-V137 WeakPolarHBondContact O-CA 3.26Å; I7-F138 PolarHBondContact O-N 3.07Å; I7-L153 HydrophobicContact CD1-CD2 4.34Å; I7-L153 HydrophobicContact CG2-CD2 3.83Å; I7-L157 HydrophobicContact CD1-CD1 3.83Å
8H98.6Very high94.2Very high1 Ų123.8 Ų23.81%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-116.7115.5-175.5-49.383.3000108.5S6 G17 W21 V66 F67 V68 F138S6-H8 VanDerWaalsContact CB-CE1 3.47Å; S6-H8 WeakPolarHBondContact CB-CE1 3.34Å; H8-G17 WeakPolarHBondContact CD2-CA 3.33Å; H8-G17 WeakPolarHBondContact NE2-CA 3.27Å; H8-W21 AromaticContact CE1-NE1 3.23Å; H8-W21 PolarHBondContact CE1-NE1 3.14Å; H8-W21 AromaticContact NE2-NE1 3.43Å; H8-W21 PolarHBondContact NE2-NE1 2.86Å; H8-V66 PolarHBondContact N-O 2.87Å; H8-V66 PolarHBondContact ND1-O 2.86Å; H8-V66 VanDerWaalsContact ND1-O 3.13Å; H8-F67 HydrophobicContact CB-CD1 3.72Å; H8-F67 HydrophobicContact CB-CE1 4.03Å; H8-F67 HydrophobicContact CB-CG 4.3Å; H8-F67 AromaticContact CE1-CZ 3.95Å; H8-F67 AromaticContact CG-CD1 3.94Å; H8-F67 AromaticContact CG-CE1 3.78Å; H8-F67 AromaticContact ND1-CD1 4Å; H8-F67 AromaticContact ND1-CE1 3.81Å; H8-F67 AromaticContact ND1-CE2 3.9Å; H8-F67 AromaticContact ND1-CZ 3.76Å; H8-V68 PolarHBondContact O-N 3.1Å; H8-F138 AromaticContact CD2-CD2 3.57Å; H8-F138 AromaticContact CD2-CG 3.82Å; H8-F138 AromaticContact NE2-CD2 3.71Å; H8-F138 AromaticContact NE2-CE2 3.97Å
9V98.4Very high94.4Very high0 Ų023.1 Ų23.10%011%0.112CC..EExtended strand (participates in β ladder)trans-115.3125-170.3-177.30000111I7 V68 F138 H139 T145 F149 T150 L153I7-V9 HydrophobicContact CG2-CG2 4.01Å; V9-V68 WeakPolarHBondContact CA-O 3.45Å; V9-F138 PolarHBondContact N-O 3.27Å; V9-H139 HydrophobicContact CB-CB 4.29Å; V9-T145 HydrophobicContact CG1-CG2 3.99Å; V9-F149 HydrophobicContact CG1-CB 4.28Å; V9-F149 HydrophobicContact CG1-CD1 3.74Å; V9-F149 HydrophobicContact CG1-CG 4.48Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.49Å; V9-L153 HydrophobicContact CG2-CD2 4.24Å
10G96.9Very high94.5Very high1 Ų122 Ų221%0.0111%0.107CC..Hα-helixtrans69.7173.4179.600000113.8A12 G13 V14 V68G10-A12 VanDerWaalsContact C-N 3.34Å; G10-A12 PolarHBondContact O-N 3.48Å; G10-G13 PolarHBondContact O-N 3.37Å; G10-G13 VanDerWaalsContact O-N 3.14Å; G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.22Å; G10-V14 PolarHBondContact O-N 2.91Å; G10-V68 PolarHBondContact N-O 3.48Å
11Q94.7Very high94.7Very high90 Ų9021 Ų2142%0.42110%0.102SC..Hα-helixtrans-45.9-51.9-177.3174.3173.8-31.700114V14 Q15 D69 V74Q11-V14 PolarHBondContact O-N 2.85Å; Q11-Q15 HydrophobicContact CG-CG 4.48Å; Q11-Q15 WeakPolarHBondContact O-CB 3.21Å; Q11-Q15 VanDerWaalsContact O-CG 3.32Å; Q11-Q15 WeakPolarHBondContact O-CG 3.49Å; Q11-Q15 PolarHBondContact O-N 2.89Å; Q11-D69 PolarHBondContact N-OD2 3.35Å; Q11-D69 VanDerWaalsContact N-OD2 3.11Å; Q11-V74 HydrophobicContact CB-CG2 3.89Å; Q11-V74 HydrophobicContact CG-CG1 4.44Å; Q11-V74 HydrophobicContact CG-CG2 3.72Å
12A94.1Very high96Very high23 Ų2319.4 Ų19.419%0.199%0.094CC..Hα-helixtrans-62.9-48.2-177.500000111.8G10 V14 Q15 I16G10-A12 VanDerWaalsContact C-N 3.34Å; G10-A12 PolarHBondContact O-N 3.48Å; A12-V14 PolarHBondContact O-N 3.49Å; A12-Q15 PolarHBondContact O-N 2.68Å; A12-I16 WeakPolarHBondContact O-CB 3.18Å; A12-I16 WeakPolarHBondContact O-CD1 3.38Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.35Å; A12-I16 PolarHBondContact O-N 2.74Å
13G96.8Very high96.7Very high0 Ų013.7 Ų13.70%07%0.072CC..Hα-helixtrans-60.2-45.317800000111.9G10 G17 F138G10-G13 PolarHBondContact O-N 3.37Å; G10-G13 VanDerWaalsContact O-N 3.14Å; G13-G17 PolarHBondContact O-N 2.86Å; G13-F138 WeakPolarHBondContact CA-O 3.43Å
14V97.6Very high96.9Very high1 Ų113.7 Ų13.71%0.0067%0.072CC..Hα-helixtrans-63.6-47.1-180172.50000111.5G10 Q11 A12 G17 N18 F67 V74 I75 V78G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.22Å; G10-V14 PolarHBondContact O-N 2.91Å; Q11-V14 PolarHBondContact O-N 2.85Å; A12-V14 PolarHBondContact O-N 3.49Å; V14-G17 PolarHBondContact O-N 3.36Å; V14-N18 PolarHBondContact O-N 2.93Å; V14-F67 HydrophobicContact CB-CD1 4.15Å; V14-F67 HydrophobicContact CG1-CD1 3.85Å; V14-F67 HydrophobicContact CG1-CE1 4.42Å; V14-F67 HydrophobicContact CG2-CB 4.41Å; V14-F67 HydrophobicContact CG2-CD1 4.06Å; V14-V74 HydrophobicContact CB-CG1 3.99Å; V14-V74 HydrophobicContact CG1-CB 4.41Å; V14-V74 HydrophobicContact CG1-CG1 3.61Å; V14-I75 HydrophobicContact CG1-CG1 4.13Å; V14-I75 HydrophobicContact CG2-CD1 4.39Å; V14-I75 HydrophobicContact CG2-CG1 4.11Å; V14-V78 HydrophobicContact CG1-CG2 3.99Å
15Q96.6Very high96.9Very high46 Ų4613.7 Ų13.722%0.2157%0.072CC..Hα-helixtrans-67.9-37.6-178.8-70-179.1-26.600112.5Q11 A12 N18 A19 V74 N228Q11-Q15 HydrophobicContact CG-CG 4.48Å; Q11-Q15 WeakPolarHBondContact O-CB 3.21Å; Q11-Q15 VanDerWaalsContact O-CG 3.32Å; Q11-Q15 WeakPolarHBondContact O-CG 3.49Å; Q11-Q15 PolarHBondContact O-N 2.89Å; A12-Q15 PolarHBondContact O-N 2.68Å; Q15-N18 PolarHBondContact O-N 3.25Å; Q15-A19 PolarHBondContact O-N 3.29Å; Q15-V74 HydrophobicContact CG-CG1 3.64Å; Q15-N228 WeakPolarHBondContact CB-ND2 2.94Å
16I96.8Very high96.8Very high4 Ų416.6 Ų16.62%0.0219%0.087CC..Hα-helixtrans-66-45172.5-69.1165.8000110A12 N18 A19 C20 F138 I171 N228 I231A12-I16 WeakPolarHBondContact O-CB 3.18Å; A12-I16 WeakPolarHBondContact O-CD1 3.38Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.35Å; A12-I16 PolarHBondContact O-N 2.74Å; I16-N18 VanDerWaalsContact C-N 3.29Å; I16-N18 PolarHBondContact O-N 3.35Å; I16-A19 PolarHBondContact O-N 3.26Å; I16-A19 VanDerWaalsContact O-N 3.12Å; I16-C20 PolarHBondContact O-N 3.1Å; I16-C20 PolarHBondContact O-SG 3.34Å; I16-F138 HydrophobicContact CG2-CD1 4.08Å; I16-I171 HydrophobicContact CD1-CD1 3.45Å; I16-I171 VanDerWaalsContact CD1-CD1 3.45Å; I16-I171 HydrophobicContact CD1-CG1 3.48Å; I16-I171 VanDerWaalsContact CD1-CG1 3.48Å; I16-N228 HydrophobicContact CG1-CB 4.42Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.26Å; I16-I231 HydrophobicContact CD1-CD1 4.24Å; I16-I231 HydrophobicContact CD1-CG2 4.4Å; I16-I231 HydrophobicContact CG2-CG2 3.9Å
17G96.9Very high96.5Very high0 Ų017.5 Ų17.50%09%0.091CC..Hα-helixtrans-53.4-46.9175.100000112H8 G13 V14 A19 C20 W21H8-G17 WeakPolarHBondContact CD2-CA 3.33Å; H8-G17 WeakPolarHBondContact NE2-CA 3.27Å; G13-G17 PolarHBondContact O-N 2.86Å; V14-G17 PolarHBondContact O-N 3.36Å; G17-A19 VanDerWaalsContact C-N 3.33Å; G17-A19 PolarHBondContact O-N 2.88Å; G17-C20 PolarHBondContact O-N 2.92Å; G17-C20 VanDerWaalsContact O-N 3.17Å; G17-W21 PolarHBondContact O-N 2.82Å
18N96.9Very high96.2Very high55 Ų5518.2 Ų18.229%0.29410%0.095SC..Hα-helixtrans-58.1-44178.3-162.520.5000112.1V14 Q15 I16 E22V14-N18 PolarHBondContact O-N 2.93Å; Q15-N18 PolarHBondContact O-N 3.25Å; I16-N18 VanDerWaalsContact C-N 3.29Å; I16-N18 PolarHBondContact O-N 3.35Å; N18-E22 WeakPolarHBondContact O-CB 3.32Å; N18-E22 PolarHBondContact O-N 2.89Å
19A97Very high95.8Very high11 Ų1120 Ų209%0.09111%0.114CC..Hα-helixtrans-67.4-39.7175.500000112.8Q15 I16 G17 L23 N228Q15-A19 PolarHBondContact O-N 3.29Å; I16-A19 PolarHBondContact O-N 3.26Å; I16-A19 VanDerWaalsContact O-N 3.12Å; G17-A19 VanDerWaalsContact C-N 3.33Å; G17-A19 PolarHBondContact O-N 2.88Å; A19-L23 PolarHBondContact O-N 3.2Å; A19-L23 VanDerWaalsContact O-N 3.1Å; A19-N228 HydrophobicContact CB-CB 4.13Å
20C97.4Very high95.6Very high1 Ų120.4 Ų20.41%0.00712%0.116CC..Hα-helixtrans-62.5-47.5176.2-70.80000112I16 G17 L23 Y24I16-C20 PolarHBondContact O-N 3.1Å; I16-C20 PolarHBondContact O-SG 3.34Å; G17-C20 PolarHBondContact O-N 2.92Å; G17-C20 VanDerWaalsContact O-N 3.17Å; C20-L23 PolarHBondContact O-N 3.4Å; C20-Y24 HydrophobicContact CB-CE2 4.34Å; C20-Y24 WeakPolarHBondContact O-CD1 3.16Å; C20-Y24 PolarHBondContact O-N 3.27Å
21W97.4Very high95.4Very high2 Ų224.6 Ų24.61%0.00814%0.135CC..Hα-helixtrans-72-32.4-179.1-72.5104.3000112.9H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 F87H8-W21 AromaticContact CE1-NE1 3.23Å; H8-W21 PolarHBondContact CE1-NE1 3.14Å; H8-W21 AromaticContact NE2-NE1 3.43Å; H8-W21 PolarHBondContact NE2-NE1 2.86Å; G17-W21 PolarHBondContact O-N 2.82Å; W21-L23 VanDerWaalsContact C-N 3.32Å; W21-Y24 AromaticContact CD2-CD2 3.99Å; W21-Y24 HydrophobicContact CD2-CD2 3.99Å; W21-Y24 AromaticContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CH2-CD2 4.37Å; W21-Y24 AromaticContact CZ3-CD2 3.91Å; W21-Y24 HydrophobicContact CZ3-CD2 3.91Å; W21-Y24 PolarHBondContact O-N 2.9Å; W21-C25 WeakPolarHBondContact O-CB 3.29Å; W21-C25 PolarHBondContact O-N 3.07Å; W21-C25 PolarHBondContact O-SG 3.4Å; W21-F52 HydrophobicContact CH2-CB 4.05Å; W21-F52 AromaticContact CH2-CD1 3.83Å; W21-F52 HydrophobicContact CH2-CD1 3.83Å; W21-F52 HydrophobicContact CH2-CG 4.4Å; W21-F52 WeakPolarHBondContact CH2-O 3.47Å; W21-F52 HydrophobicContact CZ2-CD1 4.43Å; W21-F52 HydrophobicContact CZ3-CB 4.24Å; W21-F52 HydrophobicContact CZ3-CD1 4.4Å; W21-F53 HydrophobicContact CE3-CE1 4.04Å; W21-F53 AromaticContact CE3-CZ 3.81Å; W21-F53 HydrophobicContact CE3-CZ 3.81Å; W21-F53 HydrophobicContact CZ3-CD1 4.41Å; W21-F53 AromaticContact CZ3-CE1 3.88Å; W21-F53 HydrophobicContact CZ3-CE1 3.88Å; W21-F53 AromaticContact CZ3-CE2 3.99Å; W21-F53 HydrophobicContact CZ3-CE2 3.99Å; W21-F53 AromaticContact CZ3-CZ 3.64Å; W21-F53 HydrophobicContact CZ3-CZ 3.64Å; W21-P63 HydrophobicContact CD2-CB 3.94Å; W21-P63 HydrophobicContact CD2-CG 4.22Å; W21-P63 HydrophobicContact CE3-CB 3.65Å; W21-P63 HydrophobicContact CE3-CG 3.76Å; W21-P63 HydrophobicContact CH2-CB 3.77Å; W21-P63 HydrophobicContact CZ2-CB 4.06Å; W21-P63 HydrophobicContact CZ3-CB 3.56Å; W21-P63 HydrophobicContact CZ3-CG 4.02Å; W21-A65 HydrophobicContact CZ2-CB 3.7Å; W21-F67 AromaticContact CD1-CZ 3.75Å; W21-F87 HydrophobicContact CB-CE1 4.31Å; W21-F87 HydrophobicContact CB-CZ 3.85Å; W21-F87 HydrophobicContact CD2-CE1 4.33Å; W21-F87 AromaticContact CG-CE1 3.95Å; W21-F87 HydrophobicContact CG-CE1 3.95Å; W21-F87 AromaticContact CG-CZ 3.94Å; W21-F87 HydrophobicContact CG-CZ 3.94Å
22E97.1Very high95.5Very high50 Ų5022.8 Ų22.823%0.23413%0.131CC..Hα-helixtrans-55.3-50.5166.9172.2175.7-140.400110.2N18 C25 L26 Y83 V363N18-E22 WeakPolarHBondContact O-CB 3.32Å; N18-E22 PolarHBondContact O-N 2.89Å; E22-C25 PolarHBondContact O-N 2.7Å; E22-L26 HydrophobicContact CG-CD1 4.31Å; E22-L26 WeakPolarHBondContact O-CG 3.3Å; E22-L26 PolarHBondContact O-N 2.72Å; E22-L26 VanDerWaalsContact O-N 3.11Å; E22-Y83 HydrophobicContact CB-CD2 4.5Å; E22-Y83 HydrophobicContact CB-CE2 3.74Å; E22-Y83 HydrophobicContact CG-CE2 3.81Å; E22-V363 HydrophobicContact CG-CG1 4.26Å; E22-V363 HydrophobicContact CG-CG2 4.42Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.29Å
23L96.4Very high95.4Very high0 Ų024.3 Ų24.30%014%0.136CC..Hα-helixtrans-65.4-42.5-179.9-178.458.1000112.6A19 C20 W21 C25 L26 E27 S232 Q233 T361 V363A19-L23 PolarHBondContact O-N 3.2Å; A19-L23 VanDerWaalsContact O-N 3.1Å; C20-L23 PolarHBondContact O-N 3.4Å; W21-L23 VanDerWaalsContact C-N 3.32Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 3.37Å; L23-L26 PolarHBondContact O-N 3.04Å; L23-E27 HydrophobicContact CD1-CG 4.25Å; L23-E27 HydrophobicContact CG-CG 4.46Å; L23-E27 WeakPolarHBondContact O-CG 3.45Å; L23-E27 PolarHBondContact O-N 2.88Å; L23-S232 WeakPolarHBondContact CD2-O 3.25Å; L23-Q233 HydrophobicContact CD2-CG 4.32Å; L23-T361 HydrophobicContact CD1-CG2 4.25Å; L23-T361 WeakPolarHBondContact CD1-O 3.43Å; L23-V363 HydrophobicContact CD1-CG2 4.35Å
24Y96.1Very high95.2Very high2 Ų224.3 Ų24.31%0.00814%0.136CC..Hα-helixtrans-61.2-41.3176.7-63.4-16000111.8C20 W21 L26 E27 H28 F52 V235 T239C20-Y24 HydrophobicContact CB-CE2 4.34Å; C20-Y24 WeakPolarHBondContact O-CD1 3.16Å; C20-Y24 PolarHBondContact O-N 3.27Å; W21-Y24 AromaticContact CD2-CD2 3.99Å; W21-Y24 HydrophobicContact CD2-CD2 3.99Å; W21-Y24 AromaticContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CH2-CD2 4.37Å; W21-Y24 AromaticContact CZ3-CD2 3.91Å; W21-Y24 HydrophobicContact CZ3-CD2 3.91Å; W21-Y24 PolarHBondContact O-N 2.9Å; Y24-L26 VanDerWaalsContact C-N 3.33Å; Y24-L26 PolarHBondContact O-N 3.4Å; Y24-E27 PolarHBondContact O-N 3.4Å; Y24-H28 PolarHBondContact O-CD2 3.12Å; Y24-H28 PolarHBondContact O-N 3.24Å; Y24-F52 HydrophobicContact CD2-CD1 4.18Å; Y24-F52 AromaticContact CE2-CD1 3.85Å; Y24-F52 HydrophobicContact CE2-CD1 3.85Å; Y24-F52 AromaticContact CE2-CE1 3.87Å; Y24-F52 HydrophobicContact CE2-CE1 3.87Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.22Å; Y24-T239 PolarHBondContact OH-OG1 3.06Å; Y24-T239 VanDerWaalsContact OH-OG1 3.05Å
25C95.2Very high94.9Very high0 Ų027.8 Ų27.80%015%0.152CC..Hα-helixtrans-60.9-44.3175.6-69.90000111.4W21 E22 L23 E27 H28 G29 I30 Y83 L86W21-C25 WeakPolarHBondContact O-CB 3.29Å; W21-C25 PolarHBondContact O-N 3.07Å; W21-C25 PolarHBondContact O-SG 3.4Å; E22-C25 PolarHBondContact O-N 2.7Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 3.37Å; C25-E27 PolarHBondContact O-N 3.48Å; C25-H28 PolarHBondContact O-N 2.98Å; C25-G29 PolarHBondContact O-N 3.36Å; C25-I30 HydrophobicContact CB-CB 4.22Å; C25-I30 WeakPolarHBondContact CB-O 3.37Å; C25-I30 PolarHBondContact O-N 2.95Å; C25-Y83 HydrophobicContact CB-CE1 4Å; C25-L86 VanDerWaalsContact SG-CD2 3.51Å
26L94.9Very high94.4Very high61 Ų6126.8 Ų26.832%0.31915%0.148SC..Hα-helixtrans-64.1-40.1177.8-68.7171.6000112.7E22 L23 Y24 G29 T361 V363E22-L26 HydrophobicContact CG-CD1 4.31Å; E22-L26 WeakPolarHBondContact O-CG 3.3Å; E22-L26 PolarHBondContact O-N 2.72Å; E22-L26 VanDerWaalsContact O-N 3.11Å; L23-L26 PolarHBondContact O-N 3.04Å; Y24-L26 VanDerWaalsContact C-N 3.33Å; Y24-L26 PolarHBondContact O-N 3.4Å; L26-G29 PolarHBondContact O-N 2.89Å; L26-T361 HydrophobicContact CB-CG2 3.95Å; L26-V363 HydrophobicContact CD1-CB 4.28Å; L26-V363 HydrophobicContact CD1-CG1 4.28Å; L26-V363 HydrophobicContact CD1-CG2 4.07Å
27E92.9Very high93.7Very high19 Ų1931 Ų319%0.08918%0.175CC..Hα-helixtrans-67.2-35178.9-74.2-174.8172.300113L23 Y24 C25 S236 R243 F244 R320 T361L23-E27 HydrophobicContact CD1-CG 4.25Å; L23-E27 HydrophobicContact CG-CG 4.46Å; L23-E27 WeakPolarHBondContact O-CG 3.45Å; L23-E27 PolarHBondContact O-N 2.88Å; Y24-E27 PolarHBondContact O-N 3.4Å; C25-E27 PolarHBondContact O-N 3.48Å; E27-S236 VanDerWaalsContact CD-OG 3.26Å; E27-S236 PolarHBondContact OE1-OG 3.39Å; E27-S236 PolarHBondContact OE2-OG 2.9Å; E27-R243 IonicContact OE2-CZ 2.8Å; E27-R243 IonicContact OE2-NH1 3.6Å; E27-R243 PolarHBondContact OE2-NH1 3.14Å; E27-R243 IonicContact OE2-NH2 3.69Å; E27-R243 PolarHBondContact OE2-NH2 3.3Å; E27-F244 HydrophobicContact CB-CZ 4Å; E27-F244 WeakPolarHBondContact OE2-CE2 3.34Å; E27-R320 IonicContact OE1-CZ 3.64Å; E27-R320 IonicContact OE1-NH1 3.24Å; E27-R320 PolarHBondContact OE1-NH1 2.81Å; E27-R320 IonicContact OE1-NH2 3.85Å; E27-R320 PolarHBondContact OE1-NH2 2.93Å; E27-R320 IonicContact OE2-NH1 3.58Å; E27-R320 IonicContact OE2-NH2 3.64Å; E27-T361 HydrophobicContact CG-CG2 4.23Å
28H91.1Very high92.7Very high15 Ų1534.7 Ų34.77%0.06920%0.201CC..Hα-helixtrans-95.2-2.4179.7-65.8-67.8000113.7Y24 C25 I30 M36 F49 R243 F244Y24-H28 PolarHBondContact O-CD2 3.12Å; Y24-H28 PolarHBondContact O-N 3.24Å; C25-H28 PolarHBondContact O-N 2.98Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 3.98Å; H28-I30 HydrophobicContact CB-CG1 4.04Å; H28-I30 PolarHBondContact O-N 3.35Å; H28-M36 WeakPolarHBondContact O-CE 3.36Å; H28-F49 WeakPolarHBondContact ND1-CB 3.46Å; H28-R243 PolarHBondContact NE2-NH1 3.12Å; H28-F244 AromaticContact CE1-CD1 3.92Å; H28-F244 AromaticContact CE1-CE1 3.16Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.24Å; H28-F244 AromaticContact CE1-CZ 3.23Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.32Å; H28-F244 AromaticContact ND1-CE1 3.47Å; H28-F244 WeakPolarHBondContact ND1-CE1 3.46Å; H28-F244 AromaticContact ND1-CZ 3.74Å; H28-F244 AromaticContact NE2-CZ 3.68Å
29G91Very high91.3Very high40 Ų4033.3 Ų33.341%0.41219%0.194SC..THydrogen-bonded Turntrans69.725.4-177.600000114C25 L26C25-G29 PolarHBondContact O-N 3.36Å; L26-G29 PolarHBondContact O-N 2.89Å
30I93.3Very high89.7Confident8 Ų842.3 Ų42.34%0.04123%0.231CC..  trans-84.4130.2176.3-59.9170.7000108.6C25 H28 M36 F53 H61 L86C25-I30 HydrophobicContact CB-CB 4.22Å; C25-I30 WeakPolarHBondContact CB-O 3.37Å; C25-I30 PolarHBondContact O-N 2.95Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 3.98Å; H28-I30 HydrophobicContact CB-CG1 4.04Å; H28-I30 PolarHBondContact O-N 3.35Å; I30-M36 HydrophobicContact CG1-CB 4.3Å; I30-M36 HydrophobicContact CG1-CG 4.36Å; I30-M36 HydrophobicContact CG1-SD 3.99Å; I30-F53 HydrophobicContact CD1-CD1 3.88Å; I30-F53 HydrophobicContact CD1-CD2 3.93Å; I30-F53 HydrophobicContact CD1-CE1 3.69Å; I30-F53 HydrophobicContact CD1-CE2 3.76Å; I30-F53 HydrophobicContact CD1-CG 3.99Å; I30-F53 HydrophobicContact CD1-CZ 3.64Å; I30-H61 HydrophobicContact CD1-CB 4.1Å; I30-H61 HydrophobicContact CG2-CB 4.37Å; I30-L86 HydrophobicContact CG2-CD1 4.31Å
31Q94.3Very high88Confident89 Ų8944.3 Ų44.342%0.41625%0.248SC..  trans-77.9161178.2-65.4-173.65.800111.4D33 G34 Q35Q31-D33 VanDerWaalsContact CB-OD1 3.22Å; Q31-D33 WeakPolarHBondContact CB-OD1 3.41Å; Q31-D33 PolarHBondContact O-N 3.45Å; Q31-G34 WeakPolarHBondContact O-CA 3.47Å; Q31-G34 PolarHBondContact O-N 3.06Å; Q31-Q35 WeakPolarHBondContact CB-O 3.48Å; Q31-Q35 PolarHBondContact N-O 3.06Å
32P94.8Very high86.2Confident51 Ų5150 Ų5033%0.33128%0.277SS..THydrogen-bonded Turntrans-60.9-16.8179.9-25.335.3000115.9G34 T82 Y83P32-G34 VanDerWaalsContact C-N 3.34Å; P32-T82 HydrophobicContact CB-CG2 4.16Å; P32-T82 HydrophobicContact CG-CG2 4.16Å; P32-Y83 HydrophobicContact CB-CD1 3.82Å; P32-Y83 HydrophobicContact CB-CE1 3.86Å; P32-Y83 HydrophobicContact CB-CG 4.46Å; P32-Y83 HydrophobicContact CG-CD1 4.41Å; P32-Y83 HydrophobicContact CG-CE1 3.95Å
33D92.8Very high84.1Confident56 Ų5650.8 Ų50.830%0.29930%0.299SS..THydrogen-bonded Turntrans-87.1-3.3173.266.9-7.8000113.5Q31 Q35 K60Q31-D33 VanDerWaalsContact CB-OD1 3.22Å; Q31-D33 WeakPolarHBondContact CB-OD1 3.41Å; Q31-D33 PolarHBondContact O-N 3.45Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.45Å; D33-Q35 PolarHBondContact OD1-N 2.9Å; D33-K60 WeakPolarHBondContact O-CE 3.37Å
34G91.9Very high82Confident0 Ų053.2 Ų53.20%032%0.324CS..SBendtrans86.34.8-177.700000114.4Q31 P32 K60 H61Q31-G34 WeakPolarHBondContact O-CA 3.47Å; Q31-G34 PolarHBondContact O-N 3.06Å; P32-G34 VanDerWaalsContact C-N 3.34Å; G34-K60 WeakPolarHBondContact O-CA 3.43Å; G34-H61 PolarHBondContact O-N 2.91Å; G34-H61 PolarHBondContact O-ND1 2.96Å
35Q91.1Very high80Confident74 Ų7454 Ų5435%0.34633%0.332SS..BIsolated β-bridgetrans-79.2143.1175.7-68.3-69.8-27.300111.3Q31 D33 A58Q31-Q35 WeakPolarHBondContact CB-O 3.48Å; Q31-Q35 PolarHBondContact N-O 3.06Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.45Å; D33-Q35 PolarHBondContact OD1-N 2.9Å; Q35-A58 PolarHBondContact NE2-O 2.86Å
36M88.1Confident78.2Confident24 Ų2460.9 Ų60.912%0.11837%0.369CS..  trans-125.991.4176.4-174.6170.916900109.6H28 I30 S38 D39 F49H28-M36 WeakPolarHBondContact O-CE 3.36Å; I30-M36 HydrophobicContact CG1-CB 4.3Å; I30-M36 HydrophobicContact CG1-CG 4.36Å; I30-M36 HydrophobicContact CG1-SD 3.99Å; M36-S38 VanDerWaalsContact CE-OG 3.3Å; M36-S38 WeakPolarHBondContact CE-OG 3.39Å; M36-S38 WeakPolarHBondContact CG-OG 3.38Å; M36-S38 PolarHBondContact O-N 3.34Å; M36-S38 VanDerWaalsContact O-N 3.08Å; M36-D39 HydrophobicContact CB-CB 4.21Å; M36-D39 HydrophobicContact CG-CB 4.01Å; M36-D39 PolarHBondContact O-N 2.77Å; M36-D39 HydrophobicContact SD-CB 4.19Å; M36-F49 HydrophobicContact CE-CE1 4.06Å; M36-F49 HydrophobicContact CE-CZ 4.2Å; M36-F49 HydrophobicContact SD-CE1 4.45Å; M36-F49 HydrophobicContact SD-CE2 4.27Å; M36-F49 HydrophobicContact SD-CZ 4.06Å
37P81.8Confident77Confident92 Ų9261.6 Ų61.660%0.59737%0.373SS*.THydrogen-bonded Turntrans-62.2-20.7-175.3-2332.5000114.7
38S74.8Confident76.1Confident78 Ų7863 Ų6355%0.54539%0.385SS..THydrogen-bonded Turntrans-77.4-21.2176.747.30000113.3M36 K40M36-S38 VanDerWaalsContact CE-OG 3.3Å; M36-S38 WeakPolarHBondContact CE-OG 3.39Å; M36-S38 WeakPolarHBondContact CG-OG 3.38Å; M36-S38 PolarHBondContact O-N 3.34Å; M36-S38 VanDerWaalsContact O-N 3.08Å; S38-K40 PolarHBondContact O-N 2.8Å
39D68Low75.5Confident26 Ų2663.1 Ų63.114%0.13939%0.385CS..  trans-78.5117.4176.1-175.59.5000109.7M36 A41 H61M36-D39 HydrophobicContact CB-CB 4.21Å; M36-D39 HydrophobicContact CG-CB 4.01Å; M36-D39 PolarHBondContact O-N 2.77Å; M36-D39 HydrophobicContact SD-CB 4.19Å; D39-A41 PolarHBondContact OD1-N 3.46Å; D39-H61 IonicContact OD2-CE1 2.79Å; D39-H61 IonicContact OD2-NE2 3.9Å
40K63.6Low75.2Confident200 Ų20061.7 Ų61.787%0.8737%0.368SS*.  trans-101.1-3.5-179.2-67.8-173179.3-179.90112.4S38S38-K40 PolarHBondContact O-N 2.8Å
41A61Low74.9Confident44 Ų4461.8 Ų61.836%0.36437%0.369SS..  trans-114.960.6-173.200000111D39 G43 G44D39-A41 PolarHBondContact OD1-N 3.46Å; A41-G43 PolarHBondContact O-N 3.46Å; A41-G43 VanDerWaalsContact O-N 3.09Å; A41-G44 VanDerWaalsContact CB-O 3.26Å; A41-G44 WeakPolarHBondContact CB-O 3.37Å; A41-G44 CarbonylContact O-C 3.54Å; A41-G44 PolarHBondContact O-N 3.2Å
42I59.1Low74.9Confident121 Ų12157.5 Ų57.562%0.62135%0.349SS*.THydrogen-bonded Turntrans-52.8118.3176.4-59.4171.9000109.8E55I42-E55 WeakPolarHBondContact CA-OE1 3.2Å
43G53.8Low74.8Confident67 Ų6755.1 Ų55.169%0.69133%0.334SS*.THydrogen-bonded Turntrans76.616.6179.200000115.1A41 E55A41-G43 PolarHBondContact O-N 3.46Å; A41-G43 VanDerWaalsContact O-N 3.09Å; G43-E55 PolarHBondContact N-OE1 3.25Å; G43-E55 PolarHBondContact N-OE2 3.38Å; G43-E55 VanDerWaalsContact N-OE2 3.14Å
44G53.2Low74.8Confident51 Ų5153.2 Ų53.253%0.52633%0.325SS..  trans-15274.5-179.700000112.8A41A41-G44 VanDerWaalsContact CB-O 3.26Å; A41-G44 WeakPolarHBondContact CB-O 3.37Å; A41-G44 CarbonylContact O-C 3.54Å; A41-G44 PolarHBondContact O-N 3.2Å
45G53.2Low74.6Confident17 Ų1755.5 Ų55.518%0.17534%0.336CS..  trans-138.5114176.100000112.8D47 N50G45-D47 PolarHBondContact O-N 3.13Å; G45-N50 PolarHBondContact O-ND2 2.64Å
46D56.5Low74.4Confident146 Ų14654.5 Ų54.578%0.78134%0.335SS*.  trans-8732.6158.8-97-29.4000110
47D70.6Confident74.2Confident76 Ų7657.3 Ų57.341%0.40637%0.37SS..  trans-73.4148.8-178-73.5-23.4000111.6G45 F49 N50G45-D47 PolarHBondContact O-N 3.13Å; D47-F49 HydrophobicContact CB-CD1 3.72Å; D47-F49 HydrophobicContact CB-CE1 3.27Å; D47-F49 HydrophobicContact CB-CE2 4.47Å; D47-F49 HydrophobicContact CB-CG 4.5Å; D47-F49 HydrophobicContact CB-CZ 3.7Å; D47-F49 PolarHBondContact O-N 3.49Å; D47-F49 WeakPolarHBondContact OD2-CE1 3.33Å; D47-N50 WeakPolarHBondContact O-CB 3.49Å; D47-N50 PolarHBondContact O-N 3.05Å
48S73.8Confident74.3Confident49 Ų4956.5 Ų56.534%0.34337%0.37SS..G310 helixtrans-61.1-19.9-171.4650000114.5T51 R243S48-T51 WeakPolarHBondContact O-CG2 3.23Å; S48-T51 PolarHBondContact O-OG1 2.95Å; S48-R243 CarbonylContact C-O 3.58Å; S48-R243 VanDerWaalsContact C-O 3.26Å; S48-R243 VanDerWaalsContact CB-O 3.29Å; S48-R243 WeakPolarHBondContact CB-O 3.39Å; S48-R243 PolarHBondContact OG-O 3.4Å
49F77.8Confident74.8Confident16 Ų1653 Ų537%0.0735%0.347CS..G310 helixtrans-82.4-15.7179.160.6-99.3000113.8H28 M36 D47 T51 F52 F53 H61H28-F49 WeakPolarHBondContact ND1-CB 3.46Å; M36-F49 HydrophobicContact CE-CE1 4.06Å; M36-F49 HydrophobicContact CE-CZ 4.2Å; M36-F49 HydrophobicContact SD-CE1 4.45Å; M36-F49 HydrophobicContact SD-CE2 4.27Å; M36-F49 HydrophobicContact SD-CZ 4.06Å; D47-F49 HydrophobicContact CB-CD1 3.72Å; D47-F49 HydrophobicContact CB-CE1 3.27Å; D47-F49 HydrophobicContact CB-CE2 4.47Å; D47-F49 HydrophobicContact CB-CG 4.5Å; D47-F49 HydrophobicContact CB-CZ 3.7Å; D47-F49 PolarHBondContact O-N 3.49Å; D47-F49 WeakPolarHBondContact OD2-CE1 3.33Å; F49-T51 PolarHBondContact O-N 3.42Å; F49-T51 VanDerWaalsContact O-N 3.1Å; F49-F52 PolarHBondContact O-N 2.99Å; F49-F53 PolarHBondContact O-N 3.42Å; F49-F53 VanDerWaalsContact O-N 3.14Å; F49-H61 AromaticContact CE2-CD2 3.73Å; F49-H61 AromaticContact CE2-NE2 3.61Å
50N85.1Confident75.9Confident10 Ų1054.5 Ų54.55%0.05335%0.352CS..G310 helixtrans-68.7-6.9176-73.7-19.8000113.2M1 G45 D47 F52 F53 R64M1-N50 HydrophobicContact CE-CB 3.91Å; M1-N50 HydrophobicContact SD-CB 3.51Å; M1-N50 VanDerWaalsContact SD-CB 3.51Å; G45-N50 PolarHBondContact O-ND2 2.64Å; D47-N50 WeakPolarHBondContact O-CB 3.49Å; D47-N50 PolarHBondContact O-N 3.05Å; N50-F52 VanDerWaalsContact C-N 3.27Å; N50-F52 PolarHBondContact O-N 3.33Å; N50-F53 CarbonylContact C-O 3.56Å; N50-F53 WeakPolarHBondContact CA-O 3.35Å; N50-R64 PolarHBondContact O-NE 2.92Å; N50-R64 PolarHBondContact O-NH2 3.16Å
51T88.1Confident77.3Confident10 Ų1045 Ų456%0.06131%0.311CS..G310 helixtrans-61-35.9166.556.30000112.1R2 E3 C4 S48 F49 L242R2-T51 HydrophobicContact CB-CG2 4.39Å; R2-T51 VanDerWaalsContact O-CB 3.32Å; R2-T51 WeakPolarHBondContact O-CB 3.42Å; R2-T51 WeakPolarHBondContact O-CG2 3.23Å; E3-T51 WeakPolarHBondContact CA-O 3.27Å; C4-T51 PolarHBondContact N-O 2.85Å; S48-T51 WeakPolarHBondContact O-CG2 3.23Å; S48-T51 PolarHBondContact O-OG1 2.95Å; F49-T51 PolarHBondContact O-N 3.42Å; F49-T51 VanDerWaalsContact O-N 3.1Å; T51-L242 WeakPolarHBondContact CG2-O 3.49Å; T51-L242 PolarHBondContact OG1-O 3.16Å
52F93.2Very high78.9Confident0 Ų043.5 Ų43.50%030%0.297CS..THydrogen-bonded Turntrans-110.2-20.3-176.8-84.8-121.5000113.3C4 W21 Y24 F49 N50 R64 L136 T239 L242 R243C4-F52 HydrophobicContact CB-CD2 4.38Å; C4-F52 HydrophobicContact CB-CE2 3.91Å; C4-F52 HydrophobicContact CB-CZ 4.3Å; W21-F52 HydrophobicContact CH2-CB 4.05Å; W21-F52 AromaticContact CH2-CD1 3.83Å; W21-F52 HydrophobicContact CH2-CD1 3.83Å; W21-F52 HydrophobicContact CH2-CG 4.4Å; W21-F52 WeakPolarHBondContact CH2-O 3.47Å; W21-F52 HydrophobicContact CZ2-CD1 4.43Å; W21-F52 HydrophobicContact CZ3-CB 4.24Å; W21-F52 HydrophobicContact CZ3-CD1 4.4Å; Y24-F52 HydrophobicContact CD2-CD1 4.18Å; Y24-F52 AromaticContact CE2-CD1 3.85Å; Y24-F52 HydrophobicContact CE2-CD1 3.85Å; Y24-F52 AromaticContact CE2-CE1 3.87Å; Y24-F52 HydrophobicContact CE2-CE1 3.87Å; F49-F52 PolarHBondContact O-N 2.99Å; N50-F52 VanDerWaalsContact C-N 3.27Å; N50-F52 PolarHBondContact O-N 3.33Å; F52-R64 WeakPolarHBondContact O-CB 3.4Å; F52-R64 WeakPolarHBondContact O-CG 3.49Å; F52-R64 PolarHBondContact O-N 2.97Å; F52-L136 HydrophobicContact CE1-CD1 3.93Å; F52-L136 HydrophobicContact CZ-CD1 3.66Å; F52-T239 HydrophobicContact CE1-CG2 4.37Å; F52-T239 HydrophobicContact CZ-CG2 4.03Å; F52-L242 HydrophobicContact CE2-CB 3.84Å; F52-L242 HydrophobicContact CE2-CD1 4.08Å; F52-L242 HydrophobicContact CZ-CD1 4.14Å; F52-R243 HydrophobicContact CB-CG 4.43Å; F52-R243 HydrophobicContact CD1-CG 4.3Å; F52-R243 HydrophobicContact CD2-CG 3.52Å; F52-R243 HydrophobicContact CE1-CG 4.46Å; F52-R243 HydrophobicContact CE2-CG 3.73Å; F52-R243 HydrophobicContact CG-CG 3.83Å; F52-R243 HydrophobicContact CZ-CG 4.2Å
53F93.7Very high80.7Confident0 Ų037.7 Ų37.70%027%0.268CS..EExtended strand (participates in β ladder)trans-116147.4177.7-64-92.5000111.2W21 I30 F49 N50 H61 V62 P63 R64W21-F53 HydrophobicContact CE3-CE1 4.04Å; W21-F53 AromaticContact CE3-CZ 3.81Å; W21-F53 HydrophobicContact CE3-CZ 3.81Å; W21-F53 HydrophobicContact CZ3-CD1 4.41Å; W21-F53 AromaticContact CZ3-CE1 3.88Å; W21-F53 HydrophobicContact CZ3-CE1 3.88Å; W21-F53 AromaticContact CZ3-CE2 3.99Å; W21-F53 HydrophobicContact CZ3-CE2 3.99Å; W21-F53 AromaticContact CZ3-CZ 3.64Å; W21-F53 HydrophobicContact CZ3-CZ 3.64Å; I30-F53 HydrophobicContact CD1-CD1 3.88Å; I30-F53 HydrophobicContact CD1-CD2 3.93Å; I30-F53 HydrophobicContact CD1-CE1 3.69Å; I30-F53 HydrophobicContact CD1-CE2 3.76Å; I30-F53 HydrophobicContact CD1-CG 3.99Å; I30-F53 HydrophobicContact CD1-CZ 3.64Å; F49-F53 PolarHBondContact O-N 3.42Å; F49-F53 VanDerWaalsContact O-N 3.14Å; N50-F53 CarbonylContact C-O 3.56Å; N50-F53 WeakPolarHBondContact CA-O 3.35Å; F53-H61 HydrophobicContact CB-CB 4.34Å; F53-H61 HydrophobicContact CD1-CB 4.18Å; F53-V62 CarbonylContact C-O 3.38Å; F53-V62 WeakPolarHBondContact CA-O 3.47Å; F53-P63 HydrophobicContact CD1-CG 4.18Å; F53-P63 HydrophobicContact CE1-CG 3.86Å; F53-R64 PolarHBondContact O-NE 3.4Å; F53-R64 PolarHBondContact O-NH2 3.37Å
54S91.8Very high82.8Confident17 Ų1735.2 Ų35.212%0.11924%0.238CC..EExtended strand (participates in β ladder)trans-104.2142.5163.2600000109.6H61 V62S54-H61 CarbonylContact O-C 3.51Å; S54-H61 WeakPolarHBondContact O-CA 3.34Å; S54-V62 PolarHBondContact N-O 2.69Å; S54-V62 PolarHBondContact O-N 2.84Å; S54-V62 PolarHBondContact OG-O 2.77Å
55E88.7Confident84.9Confident48 Ų4832.8 Ų32.822%0.22421%0.213CC..EExtended strand (participates in β ladder)trans-97.2133176.8-159.2-162.1159.300110I42 G43I42-E55 WeakPolarHBondContact CA-OE1 3.2Å; G43-E55 PolarHBondContact N-OE1 3.25Å; G43-E55 PolarHBondContact N-OE2 3.38Å; G43-E55 VanDerWaalsContact N-OE2 3.14Å
56T87.4Confident87.1Confident53 Ų5332 Ų3233%0.32520%0.204SC..  trans-93158.6170.966.20000110.3A58 G59 K60 V62T56-A58 PolarHBondContact O-N 2.87Å; T56-G59 PolarHBondContact O-N 2.97Å; T56-K60 PolarHBondContact N-O 2.91Å; T56-K60 WeakPolarHBondContact OG1-CB 3.45Å; T56-K60 PolarHBondContact OG1-N 2.75Å; T56-K60 PolarHBondContact OG1-O 3.05Å; T56-K60 VanDerWaalsContact OG1-O 3.05Å; T56-V62 HydrophobicContact CG2-CG2 3.96Å
57G82.6Confident89.1Confident83 Ų8325 Ų2586%0.85617%0.167SC*.THydrogen-bonded Turntrans-61.1-6.5177.200000115.8
58A84.9Confident90.4Very high74 Ų7421.4 Ų21.461%0.61215%0.148SC*.THydrogen-bonded Turntrans-96.110.6173.300000113.3Q35 T56 K60Q35-A58 PolarHBondContact NE2-O 2.86Å; T56-A58 PolarHBondContact O-N 2.87Å; A58-K60 PolarHBondContact O-N 2.8Å
59G84.5Confident91.5Very high6 Ų619.3 Ų19.36%0.06213%0.132CC..SBendtrans7311.2-177.100000114.2T56 H61T56-G59 PolarHBondContact O-N 2.97Å; G59-H61 PolarHBondContact O-ND1 2.71Å
60K91.4Very high92.4Very high56 Ų5618.6 Ų18.624%0.24313%0.129CC..BIsolated β-bridgetrans-85.7127.8176.9-178.2-172178.7-170.90110.1D33 G34 T56 A58 V62 Q85D33-K60 WeakPolarHBondContact O-CE 3.37Å; G34-K60 WeakPolarHBondContact O-CA 3.43Å; T56-K60 PolarHBondContact N-O 2.91Å; T56-K60 WeakPolarHBondContact OG1-CB 3.45Å; T56-K60 PolarHBondContact OG1-N 2.75Å; T56-K60 PolarHBondContact OG1-O 3.05Å; T56-K60 VanDerWaalsContact OG1-O 3.05Å; A58-K60 PolarHBondContact O-N 2.8Å; K60-V62 HydrophobicContact CD-CG2 4.24Å; K60-V62 HydrophobicContact CG-CG2 4.26Å; K60-Q85 WeakPolarHBondContact CE-O 3.39Å; K60-Q85 PolarHBondContact NZ-O 2.62Å
61H92.8Very high92.8Very high2 Ų220.4 Ų20.41%0.00914%0.138CC..EExtended strand (participates in β ladder)trans-91.5119.1175.3-63.573.6000109.6I30 G34 D39 F49 F53 S54 G59I30-H61 HydrophobicContact CD1-CB 4.1Å; I30-H61 HydrophobicContact CG2-CB 4.37Å; G34-H61 PolarHBondContact O-N 2.91Å; G34-H61 PolarHBondContact O-ND1 2.96Å; D39-H61 IonicContact OD2-CE1 2.79Å; D39-H61 IonicContact OD2-NE2 3.9Å; F49-H61 AromaticContact CE2-CD2 3.73Å; F49-H61 AromaticContact CE2-NE2 3.61Å; F53-H61 HydrophobicContact CB-CB 4.34Å; F53-H61 HydrophobicContact CD1-CB 4.18Å; S54-H61 CarbonylContact O-C 3.51Å; S54-H61 WeakPolarHBondContact O-CA 3.34Å; G59-H61 PolarHBondContact O-ND1 2.71Å
62V95.3Very high93.1Very high11 Ų1122.1 Ų22.17%0.06715%0.149CC..EExtended strand (participates in β ladder)trans-112.8127.1-176.9-178.50000109.1F53 S54 T56 K60 H88F53-V62 CarbonylContact C-O 3.38Å; F53-V62 WeakPolarHBondContact CA-O 3.47Å; S54-V62 PolarHBondContact N-O 2.69Å; S54-V62 PolarHBondContact O-N 2.84Å; S54-V62 PolarHBondContact OG-O 2.77Å; T56-V62 HydrophobicContact CG2-CG2 3.96Å; K60-V62 HydrophobicContact CD-CG2 4.24Å; K60-V62 HydrophobicContact CG-CG2 4.26Å; V62-H88 HydrophobicContact CG1-CB 4.26Å
63P96.9Very high93.2Very high0 Ų025.9 Ų25.90%017%0.172CC..EExtended strand (participates in β ladder)trans-55.2137.9174.4-31.639.1000113.3W21 F53 A65 L86 F87 Q91W21-P63 HydrophobicContact CD2-CB 3.94Å; W21-P63 HydrophobicContact CD2-CG 4.22Å; W21-P63 HydrophobicContact CE3-CB 3.65Å; W21-P63 HydrophobicContact CE3-CG 3.76Å; W21-P63 HydrophobicContact CH2-CB 3.77Å; W21-P63 HydrophobicContact CZ2-CB 4.06Å; W21-P63 HydrophobicContact CZ3-CB 3.56Å; W21-P63 HydrophobicContact CZ3-CG 4.02Å; F53-P63 HydrophobicContact CD1-CG 4.18Å; F53-P63 HydrophobicContact CE1-CG 3.86Å; P63-A65 HydrophobicContact CB-CB 3.95Å; P63-A65 PolarHBondContact O-N 3.22Å; P63-L86 WeakPolarHBondContact CD-O 3.44Å; P63-L86 HydrophobicContact CG-CD1 4.26Å; P63-L86 HydrophobicContact CG-CD2 3.69Å; P63-L86 HydrophobicContact CG-CG 3.64Å; P63-F87 HydrophobicContact CB-CD1 3.85Å; P63-F87 HydrophobicContact CB-CE1 3.73Å; P63-F87 HydrophobicContact CG-CD1 3.76Å; P63-F87 HydrophobicContact CG-CE1 3.59Å; P63-F87 HydrophobicContact CG-CZ 4.46Å; P63-Q91 PolarHBondContact O-NE2 3.1Å; P63-Q91 VanDerWaalsContact O-NE2 3.1Å
64R97.1Very high93.2Very high15 Ų1526.1 Ų26.16%0.05717%0.173CC..SBendtrans-79.661.5165.8-61-179.8-168.8-86.1-0.8109.4C4 I5 S6 N50 F52 F53 Q128 C129C4-R64 WeakPolarHBondContact O-CB 3.38Å; I5-R64 WeakPolarHBondContact CA-O 3.39Å; I5-R64 HydrophobicContact CG1-CB 4.49Å; S6-R64 PolarHBondContact N-O 2.8Å; N50-R64 PolarHBondContact O-NE 2.92Å; N50-R64 PolarHBondContact O-NH2 3.16Å; F52-R64 WeakPolarHBondContact O-CB 3.4Å; F52-R64 WeakPolarHBondContact O-CG 3.49Å; F52-R64 PolarHBondContact O-N 2.97Å; F53-R64 PolarHBondContact O-NE 3.4Å; F53-R64 PolarHBondContact O-NH2 3.37Å; R64-Q128 PolarHBondContact NH1-O 3.09Å; R64-C129 PolarHBondContact NH1-SG 2.95Å; R64-C129 VanDerWaalsContact NH1-SG 3.44Å
65A97.9Very high93.4Very high0 Ų025.3 Ų25.30%017%0.168CC..EExtended strand (participates in β ladder)trans-123.8146.2-174.800000111.6S6 W21 P63 F67 F87 Q91S6-A65 CarbonylContact O-C 3.59Å; S6-A65 WeakPolarHBondContact O-CA 3.23Å; W21-A65 HydrophobicContact CZ2-CB 3.7Å; P63-A65 HydrophobicContact CB-CB 3.95Å; P63-A65 PolarHBondContact O-N 3.22Å; A65-F67 HydrophobicContact CB-CD2 4.34Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; A65-F87 HydrophobicContact CB-CD1 4.43Å; A65-F87 HydrophobicContact CB-CE1 4.27Å; A65-Q91 VanDerWaalsContact O-CB 3.29Å; A65-Q91 WeakPolarHBondContact O-CB 3.5Å; A65-Q91 VanDerWaalsContact O-CG 3.31Å; A65-Q91 WeakPolarHBondContact O-CG 3.39Å; A65-Q91 PolarHBondContact O-NE2 3.23Å
66V98.4Very high93.8Very high0 Ų026.2 Ų26.20%017%0.174CC..EExtended strand (participates in β ladder)trans-122.4134.3164.9-174.10000107.7S6 I7 H8 V68 I93 I122 L125S6-V66 PolarHBondContact O-N 3.18Å; I7-V66 WeakPolarHBondContact CA-O 3.37Å; I7-V66 HydrophobicContact CG2-CB 4.5Å; H8-V66 PolarHBondContact N-O 2.87Å; H8-V66 PolarHBondContact ND1-O 2.86Å; H8-V66 VanDerWaalsContact ND1-O 3.13Å; V66-V68 HydrophobicContact CG1-CG2 3.72Å; V66-I93 HydrophobicContact CG1-CD1 3.81Å; V66-I122 HydrophobicContact CG2-CG1 4.04Å; V66-L125 HydrophobicContact CG2-CD1 3.49Å; V66-L125 VanDerWaalsContact CG2-CD1 3.49Å
67F98.6Very high94.2Very high0 Ų028.8 Ų28.80%018%0.182CC..EExtended strand (participates in β ladder)trans-115126173-67.9-101.4000107.6H8 V14 W21 A65 I75 F87 Q91 L92 I93H8-F67 HydrophobicContact CB-CD1 3.72Å; H8-F67 HydrophobicContact CB-CE1 4.03Å; H8-F67 HydrophobicContact CB-CG 4.3Å; H8-F67 AromaticContact CE1-CZ 3.95Å; H8-F67 AromaticContact CG-CD1 3.94Å; H8-F67 AromaticContact CG-CE1 3.78Å; H8-F67 AromaticContact ND1-CD1 4Å; H8-F67 AromaticContact ND1-CE1 3.81Å; H8-F67 AromaticContact ND1-CE2 3.9Å; H8-F67 AromaticContact ND1-CZ 3.76Å; V14-F67 HydrophobicContact CB-CD1 4.15Å; V14-F67 HydrophobicContact CG1-CD1 3.85Å; V14-F67 HydrophobicContact CG1-CE1 4.42Å; V14-F67 HydrophobicContact CG2-CB 4.41Å; V14-F67 HydrophobicContact CG2-CD1 4.06Å; W21-F67 AromaticContact CD1-CZ 3.75Å; A65-F67 HydrophobicContact CB-CD2 4.34Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; F67-I75 HydrophobicContact CB-CD1 4.24Å; F67-F87 HydrophobicContact CD2-CD1 4.47Å; F67-F87 AromaticContact CE2-CD1 3.75Å; F67-F87 HydrophobicContact CE2-CD1 3.75Å; F67-F87 AromaticContact CE2-CE1 3.43Å; F67-F87 HydrophobicContact CE2-CE1 3.43Å; F67-F87 VanDerWaalsContact CE2-CE1 3.43Å; F67-F87 HydrophobicContact CE2-CE2 4.46Å; F67-F87 HydrophobicContact CE2-CG 4.4Å; F67-F87 AromaticContact CE2-CZ 3.83Å; F67-F87 HydrophobicContact CE2-CZ 3.83Å; F67-F87 AromaticContact CZ-CE1 3.87Å; F67-F87 HydrophobicContact CZ-CE1 3.87Å; F67-F87 AromaticContact CZ-CZ 3.84Å; F67-F87 HydrophobicContact CZ-CZ 3.84Å; F67-Q91 PolarHBondContact N-O 2.91Å; F67-L92 HydrophobicContact CB-CD2 3.79Å; F67-L92 HydrophobicContact CD2-CD2 3.63Å; F67-L92 HydrophobicContact CE2-CD2 4.47Å; F67-L92 HydrophobicContact CG-CD2 3.89Å; F67-I93 PolarHBondContact O-N 2.62Å
68V98.3Very high94.8Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-130.5127.3-177.6-170.90000109.1H8 V9 G10 V66 I93 V118 F149H8-V68 PolarHBondContact O-N 3.1Å; V9-V68 WeakPolarHBondContact CA-O 3.45Å; G10-V68 PolarHBondContact N-O 3.48Å; V66-V68 HydrophobicContact CG1-CG2 3.72Å; V68-I93 WeakPolarHBondContact CA-O 3.37Å; V68-I93 HydrophobicContact CG2-CB 4.43Å; V68-I93 HydrophobicContact CG2-CD1 4.38Å; V68-V118 HydrophobicContact CB-CG2 4.44Å; V68-V118 HydrophobicContact CG1-CG2 3.69Å; V68-V118 HydrophobicContact CG2-CB 4.49Å; V68-V118 HydrophobicContact CG2-CG1 3.81Å; V68-V118 HydrophobicContact CG2-CG2 3.82Å; V68-F149 HydrophobicContact CB-CE1 4.32Å; V68-F149 HydrophobicContact CG1-CD1 4.26Å; V68-F149 HydrophobicContact CG1-CE1 3.66Å; V68-F149 HydrophobicContact CG1-CZ 4.09Å
69D97.9Very high95.3Very high4 Ų425.7 Ų25.72%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-142.5149.7167.1-155-14.2000109.9Q11 E71 I75 I93 T94 G95Q11-D69 PolarHBondContact N-OD2 3.35Å; Q11-D69 VanDerWaalsContact N-OD2 3.11Å; D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.2Å; D69-I75 HydrophobicContact CB-CD1 3.71Å; D69-I75 HydrophobicContact CB-CG1 4.19Å; D69-I93 PolarHBondContact N-O 3.46Å; D69-I93 VanDerWaalsContact N-O 3.1Å; D69-T94 CarbonylContact O-C 3.47Å; D69-T94 VanDerWaalsContact O-CA 3.29Å; D69-T94 WeakPolarHBondContact O-CA 3.42Å; D69-G95 PolarHBondContact O-N 2.94Å
70L95.8Very high95.9Very high1 Ų130.6 Ų30.61%0.00516%0.158CC..SBendtrans-80.2-15.1180-62.3179.7000111.7G95 K96 E97 A99 I110 I114 T145 F149L70-G95 CarbonylContact O-C 2.97Å; L70-G95 WeakPolarHBondContact O-CA 3.41Å; L70-K96 PolarHBondContact O-N 3.01Å; L70-K96 VanDerWaalsContact O-N 3.14Å; L70-E97 CarbonylContact C-O 3.36Å; L70-E97 WeakPolarHBondContact CB-O 3.32Å; L70-E97 CarbonylContact O-C 3.53Å; L70-E97 PolarHBondContact O-N 3.22Å; L70-E97 VanDerWaalsContact O-N 3.16Å; L70-A99 HydrophobicContact CD1-CB 4.03Å; L70-I110 HydrophobicContact CB-CG2 4.4Å; L70-I110 HydrophobicContact CD1-CB 4.32Å; L70-I110 HydrophobicContact CD1-CG2 3.97Å; L70-I110 HydrophobicContact CD2-CG2 4.18Å; L70-I110 HydrophobicContact CG-CG2 4.4Å; L70-I114 HydrophobicContact CD2-CG2 3.64Å; L70-T145 HydrophobicContact CB-CG2 4.46Å; L70-T145 HydrophobicContact CD1-CG2 4.1Å; L70-T145 HydrophobicContact CG-CG2 3.78Å; L70-F149 HydrophobicContact CD2-CD2 4.44Å
71E92.9Very high96Very high49 Ų4929.3 Ų29.323%0.22916%0.161CC..SBendtrans-118.1156.1167.961.2156-126.600112.8D69 T73 D98D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.2Å; E71-T73 WeakPolarHBondContact OE1-CB 3.07Å; E71-T73 PolarHBondContact OE1-OG1 3.14Å; E71-D98 HydrophobicContact CB-CB 4.03Å; E71-D98 HydrophobicContact CG-CB 4.09Å
72P94.5Very high96.1Very high45 Ų4534.5 Ų34.529%0.29219%0.193SC..SBendtrans-82.8-20.6-172.731.5-36000114.9V74 I75 D76 T94P72-V74 PolarHBondContact O-N 3.19Å; P72-I75 PolarHBondContact O-N 3.29Å; P72-D76 WeakPolarHBondContact O-CB 3.36Å; P72-D76 PolarHBondContact O-N 3.03Å; P72-T94 HydrophobicContact CB-CG2 4.24Å
73T95Very high96.1Very high79 Ų7935.1 Ų35.149%0.48519%0.194SC..Hα-helixtrans-49.9-55.3-164-45.20000113.2E71 D76 E77E71-T73 WeakPolarHBondContact OE1-CB 3.07Å; E71-T73 PolarHBondContact OE1-OG1 3.14Å; T73-D76 PolarHBondContact O-N 3.05Å; T73-E77 PolarHBondContact O-N 3.35Å
74V94.9Very high96Very high6 Ų642.2 Ų42.24%0.03622%0.221CC..Hα-helixtrans-74.9-33.7-172.3-172.20000111.6Q11 V14 Q15 P72 E77Q11-V74 HydrophobicContact CB-CG2 3.89Å; Q11-V74 HydrophobicContact CG-CG1 4.44Å; Q11-V74 HydrophobicContact CG-CG2 3.72Å; V14-V74 HydrophobicContact CB-CG1 3.99Å; V14-V74 HydrophobicContact CG1-CB 4.41Å; V14-V74 HydrophobicContact CG1-CG1 3.61Å; Q15-V74 HydrophobicContact CG-CG1 3.64Å; P72-V74 PolarHBondContact O-N 3.19Å; V74-E77 WeakPolarHBondContact O-CB 3.15Å; V74-E77 PolarHBondContact O-N 3.27Å
75I96.4Very high95.9Very high0 Ų046.6 Ų46.60%024%0.242CC..Hα-helixtrans-74.8-31.3176.7-68.8179.4000111.1V14 F67 D69 P72 E77 V78 R79 L92 I93 T94V14-I75 HydrophobicContact CG1-CG1 4.13Å; V14-I75 HydrophobicContact CG2-CD1 4.39Å; V14-I75 HydrophobicContact CG2-CG1 4.11Å; F67-I75 HydrophobicContact CB-CD1 4.24Å; D69-I75 HydrophobicContact CB-CD1 3.71Å; D69-I75 HydrophobicContact CB-CG1 4.19Å; P72-I75 PolarHBondContact O-N 3.29Å; I75-E77 VanDerWaalsContact C-N 3.26Å; I75-E77 PolarHBondContact O-N 3.27Å; I75-V78 WeakPolarHBondContact O-CA 3.3Å; I75-V78 WeakPolarHBondContact O-CB 3.43Å; I75-V78 PolarHBondContact O-N 2.8Å; I75-R79 HydrophobicContact CG2-CG 4.42Å; I75-R79 WeakPolarHBondContact O-CG 3.46Å; I75-R79 PolarHBondContact O-N 2.89Å; I75-L92 HydrophobicContact CG2-CB 3.77Å; I75-I93 WeakPolarHBondContact CD1-O 3.42Å; I75-T94 HydrophobicContact CB-CG2 3.49Å; I75-T94 VanDerWaalsContact CB-CG2 3.49Å; I75-T94 HydrophobicContact CD1-CG2 3.69Å; I75-T94 HydrophobicContact CG1-CG2 4.09Å; I75-T94 HydrophobicContact CG2-CG2 3.55Å
76D95.9Very high95.8Very high66 Ų6646.6 Ų46.635%0.35324%0.242SC..Hα-helixtrans-64.8-31.3174-78-13.5000112P72 T73 V78 R79 T80P72-D76 WeakPolarHBondContact O-CB 3.36Å; P72-D76 PolarHBondContact O-N 3.03Å; T73-D76 PolarHBondContact O-N 3.05Å; D76-V78 VanDerWaalsContact C-N 3.32Å; D76-V78 PolarHBondContact O-N 3.03Å; D76-R79 PolarHBondContact O-N 2.97Å; D76-R79 WeakPolarHBondContact OD1-CD 3.29Å; D76-R79 IonicContact OD1-CZ 3.05Å; D76-R79 IonicContact OD1-NE 3.54Å; D76-R79 IonicContact OD1-NH1 3.14Å; D76-R79 PolarHBondContact OD1-NH1 2.94Å; D76-T80 WeakPolarHBondContact O-CB 3.42Å; D76-T80 WeakPolarHBondContact O-CG2 3.48Å; D76-T80 PolarHBondContact O-N 3.17Å; D76-T80 PolarHBondContact O-OG1 3.2Å
77E95.8Very high95.6Very high108 Ų10846.9 Ų46.951%0.50524%0.244SC..Hα-helixtrans-61.9-39.6168.5-64.6-179.2174.700111.6T73 V74 I75 T80 G81T73-E77 PolarHBondContact O-N 3.35Å; V74-E77 WeakPolarHBondContact O-CB 3.15Å; V74-E77 PolarHBondContact O-N 3.27Å; I75-E77 VanDerWaalsContact C-N 3.26Å; I75-E77 PolarHBondContact O-N 3.27Å; E77-T80 PolarHBondContact O-N 3.44Å; E77-G81 WeakPolarHBondContact O-CA 3.49Å; E77-G81 PolarHBondContact O-N 3.06Å
78V96Very high95.5Very high4 Ų451.2 Ų51.22%0.02426%0.264CS..Hα-helixtrans-66.6-41.2174.7-177.80000111V14 I75 D76 T80 R84 F87 L92V14-V78 HydrophobicContact CG1-CG2 3.99Å; I75-V78 WeakPolarHBondContact O-CA 3.3Å; I75-V78 WeakPolarHBondContact O-CB 3.43Å; I75-V78 PolarHBondContact O-N 2.8Å; D76-V78 VanDerWaalsContact C-N 3.32Å; D76-V78 PolarHBondContact O-N 3.03Å; V78-T80 PolarHBondContact O-N 3.23Å; V78-R84 WeakPolarHBondContact O-CA 3.14Å; V78-F87 HydrophobicContact CG1-CD2 3.8Å; V78-F87 HydrophobicContact CG1-CE2 3.86Å; V78-L92 HydrophobicContact CG1-CD1 4.29Å; V78-L92 HydrophobicContact CG1-CD2 4.19Å
79R95.7Very high95.2Very high88 Ų8856 Ų5633%0.33230%0.295SS..Hα-helixtrans-66.2-23.1178-68.8171.6179.3159.60.6113.3I75 D76 R84 L92 T94I75-R79 HydrophobicContact CG2-CG 4.42Å; I75-R79 WeakPolarHBondContact O-CG 3.46Å; I75-R79 PolarHBondContact O-N 2.89Å; D76-R79 PolarHBondContact O-N 2.97Å; D76-R79 WeakPolarHBondContact OD1-CD 3.29Å; D76-R79 IonicContact OD1-CZ 3.05Å; D76-R79 IonicContact OD1-NE 3.54Å; D76-R79 IonicContact OD1-NH1 3.14Å; D76-R79 PolarHBondContact OD1-NH1 2.94Å; R79-R84 WeakPolarHBondContact O-CB 3.48Å; R79-L92 HydrophobicContact CG-CD1 3.61Å; R79-L92 PolarHBondContact NH2-O 3.37Å; R79-T94 PolarHBondContact NH2-OG1 2.86Å; R79-T94 VanDerWaalsContact NH2-OG1 3.07Å
80T95.8Very high95.1Very high108 Ų10859.8 Ų59.866%0.66331%0.313SS*.Hα-helixtrans-112.6-12.6-176.857.80000114D76 E77 V78D76-T80 WeakPolarHBondContact O-CB 3.42Å; D76-T80 WeakPolarHBondContact O-CG2 3.48Å; D76-T80 PolarHBondContact O-N 3.17Å; D76-T80 PolarHBondContact O-OG1 3.2Å; E77-T80 PolarHBondContact O-N 3.44Å; V78-T80 PolarHBondContact O-N 3.23Å
81G94.2Very high95Very high30 Ų3060.2 Ų60.231%0.30932%0.315SS..SBendtrans-75.4-172.1-178.200000114.8E77 Y83 R84E77-G81 WeakPolarHBondContact O-CA 3.49Å; E77-G81 PolarHBondContact O-N 3.06Å; G81-Y83 VanDerWaalsContact C-N 3.3Å; G81-Y83 PolarHBondContact O-N 3.41Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.01Å; G81-R84 VanDerWaalsContact O-CG 3.3Å; G81-R84 WeakPolarHBondContact O-CG 3.45Å; G81-R84 PolarHBondContact O-N 3.29Å
82T95Very high95.3Very high111 Ų11158.4 Ų58.468%0.68131%0.306SS*.THydrogen-bonded Turntrans-56.9-41.8-176.7-51.40000112.6P32 R84P32-T82 HydrophobicContact CB-CG2 4.16Å; P32-T82 HydrophobicContact CG-CG2 4.16Å; T82-R84 VanDerWaalsContact C-N 3.34Å; T82-R84 PolarHBondContact O-N 2.96Å
83Y95.2Very high95.4Very high23 Ų2356.7 Ų56.79%0.0929%0.294CS..THydrogen-bonded Turntrans-92.919.7-177.2-68-82.5000113.7E22 C25 P32 G81 Q85 L86E22-Y83 HydrophobicContact CB-CD2 4.5Å; E22-Y83 HydrophobicContact CB-CE2 3.74Å; E22-Y83 HydrophobicContact CG-CE2 3.81Å; C25-Y83 HydrophobicContact CB-CE1 4Å; P32-Y83 HydrophobicContact CB-CD1 3.82Å; P32-Y83 HydrophobicContact CB-CE1 3.86Å; P32-Y83 HydrophobicContact CB-CG 4.46Å; P32-Y83 HydrophobicContact CG-CD1 4.41Å; P32-Y83 HydrophobicContact CG-CE1 3.95Å; G81-Y83 VanDerWaalsContact C-N 3.3Å; G81-Y83 PolarHBondContact O-N 3.41Å; Y83-Q85 PolarHBondContact O-N 2.87Å; Y83-L86 HydrophobicContact CD1-CB 4.26Å; Y83-L86 HydrophobicContact CD1-CD2 3.76Å; Y83-L86 HydrophobicContact CE1-CD2 4.48Å; Y83-L86 HydrophobicContact CG-CD2 4.4Å; Y83-L86 VanDerWaalsContact O-CB 3.29Å; Y83-L86 WeakPolarHBondContact O-CB 3.37Å; Y83-L86 PolarHBondContact O-N 3.26Å
84R95.1Very high95.5Very high150 Ų15054.7 Ų54.757%0.56628%0.282SS*.THydrogen-bonded Turntrans-54.7-26179.664.5-175.6-178.5163.6-1.3114.9V78 R79 G81 T82V78-R84 WeakPolarHBondContact O-CA 3.14Å; R79-R84 WeakPolarHBondContact O-CB 3.48Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.01Å; G81-R84 VanDerWaalsContact O-CG 3.3Å; G81-R84 WeakPolarHBondContact O-CG 3.45Å; G81-R84 PolarHBondContact O-N 3.29Å; T82-R84 VanDerWaalsContact C-N 3.34Å; T82-R84 PolarHBondContact O-N 2.96Å
85Q94.7Very high95.5Very high107 Ų10755.3 Ų55.350%0.529%0.29SS..THydrogen-bonded Turntrans-91.9-11.8179.3-68.6-176.31.400112.5K60 Y83K60-Q85 WeakPolarHBondContact CE-O 3.39Å; K60-Q85 PolarHBondContact NZ-O 2.62Å; Y83-Q85 PolarHBondContact O-N 2.87Å
86L95.6Very high95.2Very high0 Ų065.2 Ų65.20%033%0.333CS..THydrogen-bonded Turntrans-72.5-49.8-174.5-175.267.6000111.7C25 I30 P63 Y83C25-L86 VanDerWaalsContact SG-CD2 3.51Å; I30-L86 HydrophobicContact CG2-CD1 4.31Å; P63-L86 WeakPolarHBondContact CD-O 3.44Å; P63-L86 HydrophobicContact CG-CD1 4.26Å; P63-L86 HydrophobicContact CG-CD2 3.69Å; P63-L86 HydrophobicContact CG-CG 3.64Å; Y83-L86 HydrophobicContact CD1-CB 4.26Å; Y83-L86 HydrophobicContact CD1-CD2 3.76Å; Y83-L86 HydrophobicContact CE1-CD2 4.48Å; Y83-L86 HydrophobicContact CG-CD2 4.4Å; Y83-L86 VanDerWaalsContact O-CB 3.29Å; Y83-L86 WeakPolarHBondContact O-CB 3.37Å; Y83-L86 PolarHBondContact O-N 3.26Å
87F95.4Very high95Very high5 Ų567.2 Ų67.22%0.02234%0.34CS..SBendtrans-80.8151.4-175.7-55-75.4000112.4W21 P63 A65 F67 V78 L92W21-F87 HydrophobicContact CB-CE1 4.31Å; W21-F87 HydrophobicContact CB-CZ 3.85Å; W21-F87 HydrophobicContact CD2-CE1 4.33Å; W21-F87 AromaticContact CG-CE1 3.95Å; W21-F87 HydrophobicContact CG-CE1 3.95Å; W21-F87 AromaticContact CG-CZ 3.94Å; W21-F87 HydrophobicContact CG-CZ 3.94Å; P63-F87 HydrophobicContact CB-CD1 3.85Å; P63-F87 HydrophobicContact CB-CE1 3.73Å; P63-F87 HydrophobicContact CG-CD1 3.76Å; P63-F87 HydrophobicContact CG-CE1 3.59Å; P63-F87 HydrophobicContact CG-CZ 4.46Å; A65-F87 HydrophobicContact CB-CD1 4.43Å; A65-F87 HydrophobicContact CB-CE1 4.27Å; F67-F87 HydrophobicContact CD2-CD1 4.47Å; F67-F87 AromaticContact CE2-CD1 3.75Å; F67-F87 HydrophobicContact CE2-CD1 3.75Å; F67-F87 AromaticContact CE2-CE1 3.43Å; F67-F87 HydrophobicContact CE2-CE1 3.43Å; F67-F87 VanDerWaalsContact CE2-CE1 3.43Å; F67-F87 HydrophobicContact CE2-CE2 4.46Å; F67-F87 HydrophobicContact CE2-CG 4.4Å; F67-F87 AromaticContact CE2-CZ 3.83Å; F67-F87 HydrophobicContact CE2-CZ 3.83Å; F67-F87 AromaticContact CZ-CE1 3.87Å; F67-F87 HydrophobicContact CZ-CE1 3.87Å; F67-F87 AromaticContact CZ-CZ 3.84Å; F67-F87 HydrophobicContact CZ-CZ 3.84Å; V78-F87 HydrophobicContact CG1-CD2 3.8Å; V78-F87 HydrophobicContact CG1-CE2 3.86Å; F87-L92 HydrophobicContact CB-CD1 4.41Å; F87-L92 HydrophobicContact CB-CD2 4.23Å; F87-L92 HydrophobicContact CB-CG 4.38Å; F87-L92 HydrophobicContact CG-CD2 4.43Å
88H94.5Very high94.7Very high91 Ų9164.9 Ų64.942%0.42133%0.331SS..  trans-75.2130.3169.6-165.1-73.5000108.8V62 E90 Q91V62-H88 HydrophobicContact CG1-CB 4.26Å; H88-E90 VanDerWaalsContact ND1-CB 3.28Å; H88-E90 WeakPolarHBondContact ND1-CB 3.5Å; H88-E90 PolarHBondContact ND1-N 3.47Å; H88-E90 PolarHBondContact O-N 3.05Å; H88-Q91 HydrophobicContact CB-CG 4.01Å; H88-Q91 VanDerWaalsContact O-CB 3.29Å; H88-Q91 WeakPolarHBondContact O-CB 3.46Å; H88-Q91 PolarHBondContact O-N 3.47Å
89P93.9Very high94.6Very high102 Ų10264.8 Ų64.866%0.66233%0.33SS*.G310 helixtrans-56.3-32.9-175.4-27.534.6000113.8Q91 L92P89-Q91 PolarHBondContact O-N 3.23Å; P89-L92 PolarHBondContact O-N 3.11Å; P89-L92 VanDerWaalsContact O-N 3.16Å
90E93.9Very high94.5Very high83 Ų8363.3 Ų63.339%0.38834%0.337SS..G310 helixtrans-63.3-15.7174.4-74.7-156.2-154.900115.9H88 R121 K124H88-E90 VanDerWaalsContact ND1-CB 3.28Å; H88-E90 WeakPolarHBondContact ND1-CB 3.5Å; H88-E90 PolarHBondContact ND1-N 3.47Å; H88-E90 PolarHBondContact O-N 3.05Å; E90-R121 VanDerWaalsContact CD-NH1 3.31Å; E90-R121 WeakPolarHBondContact O-CG 3.48Å; E90-R121 PolarHBondContact O-NH1 3.47Å; E90-R121 IonicContact OE2-CZ 2.75Å; E90-R121 IonicContact OE2-NE 2.79Å; E90-R121 IonicContact OE2-NH1 3.19Å; E90-R121 PolarHBondContact OE2-NH1 2.82Å; E90-R121 IonicContact OE2-NH2 3.67Å; E90-K124 IonicContact OE2-NZ 2.69Å; E90-K124 PolarHBondContact OE2-NZ 3.02Å; E90-K124 VanDerWaalsContact OE2-NZ 3.07Å
91Q95.5Very high94.5Very high10 Ų1061.1 Ų61.15%0.04732%0.321CS..G310 helixtrans-90.7-9.6176.7-66.1168.3-32.300112.6P63 A65 F67 H88 P89 L125P63-Q91 PolarHBondContact O-NE2 3.1Å; P63-Q91 VanDerWaalsContact O-NE2 3.1Å; A65-Q91 VanDerWaalsContact O-CB 3.29Å; A65-Q91 WeakPolarHBondContact O-CB 3.5Å; A65-Q91 VanDerWaalsContact O-CG 3.31Å; A65-Q91 WeakPolarHBondContact O-CG 3.39Å; A65-Q91 PolarHBondContact O-NE2 3.23Å; F67-Q91 PolarHBondContact N-O 2.91Å; H88-Q91 HydrophobicContact CB-CG 4.01Å; H88-Q91 VanDerWaalsContact O-CB 3.29Å; H88-Q91 WeakPolarHBondContact O-CB 3.46Å; H88-Q91 PolarHBondContact O-N 3.47Å; P89-Q91 PolarHBondContact O-N 3.23Å; Q91-L125 HydrophobicContact CG-CD1 4.32Å
92L97.7Very high94.6Very high11 Ų1160.1 Ų60.16%0.05831%0.309CS..EExtended strand (participates in β ladder)trans-101.488.5-179.2-58.8-176.6000109F67 I75 V78 R79 F87 P89F67-L92 HydrophobicContact CB-CD2 3.79Å; F67-L92 HydrophobicContact CD2-CD2 3.63Å; F67-L92 HydrophobicContact CE2-CD2 4.47Å; F67-L92 HydrophobicContact CG-CD2 3.89Å; I75-L92 HydrophobicContact CG2-CB 3.77Å; V78-L92 HydrophobicContact CG1-CD1 4.29Å; V78-L92 HydrophobicContact CG1-CD2 4.19Å; R79-L92 HydrophobicContact CG-CD1 3.61Å; R79-L92 PolarHBondContact NH2-O 3.37Å; F87-L92 HydrophobicContact CB-CD1 4.41Å; F87-L92 HydrophobicContact CB-CD2 4.23Å; F87-L92 HydrophobicContact CB-CG 4.38Å; F87-L92 HydrophobicContact CG-CD2 4.43Å; P89-L92 PolarHBondContact O-N 3.11Å; P89-L92 VanDerWaalsContact O-N 3.16Å
93I97.9Very high94.7Very high8 Ų854.9 Ų54.94%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-101.5123.7-167.7-53.5172000109.5V66 F67 V68 D69 I75 I114 L117 V118 R121V66-I93 HydrophobicContact CG1-CD1 3.81Å; F67-I93 PolarHBondContact O-N 2.62Å; V68-I93 WeakPolarHBondContact CA-O 3.37Å; V68-I93 HydrophobicContact CG2-CB 4.43Å; V68-I93 HydrophobicContact CG2-CD1 4.38Å; D69-I93 PolarHBondContact N-O 3.46Å; D69-I93 VanDerWaalsContact N-O 3.1Å; I75-I93 WeakPolarHBondContact CD1-O 3.42Å; I93-I114 HydrophobicContact CG2-CD1 3.67Å; I93-I114 HydrophobicContact CG2-CG1 4.01Å; I93-L117 HydrophobicContact CG2-CD2 3.85Å; I93-L117 HydrophobicContact CG2-CG 4.31Å; I93-V118 HydrophobicContact CD1-CB 4.35Å; I93-V118 HydrophobicContact CD1-CG2 3.88Å; I93-V118 HydrophobicContact CG2-CG2 4.01Å; I93-R121 HydrophobicContact CD1-CB 3.85Å; I93-R121 HydrophobicContact CD1-CG 3.56Å; I93-R121 HydrophobicContact CG1-CG 4.32Å
94T96.9Very high94.9Very high38 Ų3853.8 Ų53.823%0.23327%0.272CS..EExtended strand (participates in β ladder)trans-127.9132.9-176.2500000110.8D69 P72 I75 R79D69-T94 CarbonylContact O-C 3.47Å; D69-T94 VanDerWaalsContact O-CA 3.29Å; D69-T94 WeakPolarHBondContact O-CA 3.42Å; P72-T94 HydrophobicContact CB-CG2 4.24Å; I75-T94 HydrophobicContact CB-CG2 3.49Å; I75-T94 VanDerWaalsContact CB-CG2 3.49Å; I75-T94 HydrophobicContact CD1-CG2 3.69Å; I75-T94 HydrophobicContact CG1-CG2 4.09Å; I75-T94 HydrophobicContact CG2-CG2 3.55Å; R79-T94 PolarHBondContact NH2-OG1 2.86Å; R79-T94 VanDerWaalsContact NH2-OG1 3.07Å
95G94.1Very high95Very high18 Ų1848 Ų4819%0.18625%0.25CS..  trans-78-167.716400000112.4D69 L70D69-G95 PolarHBondContact O-N 2.94Å; L70-G95 CarbonylContact O-C 2.97Å; L70-G95 WeakPolarHBondContact O-CA 3.41Å
96K90.5Very high95.1Very high208 Ų20842.9 Ų42.990%0.90423%0.226SC*.SBendtrans-112.7-23.6176.5-67.5-178.2-179.4175.50113.4L70L70-K96 PolarHBondContact O-N 3.01Å; L70-K96 VanDerWaalsContact O-N 3.14Å
97E90.9Very high95.2Very high109 Ų10943.2 Ų43.251%0.50923%0.228SC..SBendtrans-136.9131.4-170.7-168.6176.5161.300107.6L70 R105 I110L70-E97 CarbonylContact C-O 3.36Å; L70-E97 WeakPolarHBondContact CB-O 3.32Å; L70-E97 CarbonylContact O-C 3.53Å; L70-E97 PolarHBondContact O-N 3.22Å; L70-E97 VanDerWaalsContact O-N 3.16Å; E97-R105 VanDerWaalsContact CD-NH2 3.25Å; E97-R105 IonicContact OE1-CZ 2.69Å; E97-R105 IonicContact OE1-NH1 3.87Å; E97-R105 IonicContact OE1-NH2 3.57Å; E97-R105 PolarHBondContact OE1-NH2 2.81Å; E97-I110 WeakPolarHBondContact O-CG2 3.38Å
98D91.2Very high95.2Very high59 Ų5945.2 Ų45.232%0.31624%0.236SC..  trans-77.5171.6-177.176.9-18.6000112.2E71 A100 R105E71-D98 HydrophobicContact CB-CB 4.03Å; E71-D98 HydrophobicContact CG-CB 4.09Å; D98-A100 VanDerWaalsContact CG-N 3.27Å; D98-A100 PolarHBondContact O-N 2.77Å; D98-A100 PolarHBondContact OD1-N 2.96Å; D98-A100 WeakPolarHBondContact OD2-CA 3.46Å; D98-A100 PolarHBondContact OD2-N 3.27Å; D98-R105 PolarHBondContact O-NE 2.97Å; D98-R105 PolarHBondContact O-NH2 2.75Å
99A93.1Very high95.3Very high1 Ų143.1 Ų43.11%0.00823%0.229CC..  trans-79.2-1.7171.400000113.1L70 N101 N102 R105L70-A99 HydrophobicContact CD1-CB 4.03Å; A99-N101 VanDerWaalsContact C-N 3.25Å; A99-N101 PolarHBondContact O-N 2.96Å; A99-N101 VanDerWaalsContact O-N 3.12Å; A99-N102 VanDerWaalsContact O-CB 3.32Å; A99-N102 WeakPolarHBondContact O-CB 3.42Å; A99-N102 PolarHBondContact O-N 3.29Å; A99-R105 HydrophobicContact CB-CB 4.08Å
100A93.7Very high95.4Very high57 Ų5739.1 Ų39.147%0.47120%0.202SC..THydrogen-bonded Turntrans46.742.3178.600000114.6D98 N102D98-A100 VanDerWaalsContact CG-N 3.27Å; D98-A100 PolarHBondContact O-N 2.77Å; D98-A100 PolarHBondContact OD1-N 2.96Å; D98-A100 WeakPolarHBondContact OD2-CA 3.46Å; D98-A100 PolarHBondContact OD2-N 3.27Å; A100-N102 PolarHBondContact O-N 3.31Å
101N94.9Very high95.4Very high62 Ų6235.2 Ų35.233%0.33218%0.184SC..THydrogen-bonded Turntrans57.926.1-174.2-60.1-51.9000115.4A99 A180 V182 N186A99-N101 VanDerWaalsContact C-N 3.25Å; A99-N101 PolarHBondContact O-N 2.96Å; A99-N101 VanDerWaalsContact O-N 3.12Å; N101-A180 HydrophobicContact CB-CB 3.77Å; N101-V182 HydrophobicContact CB-CG2 4.35Å; N101-V182 WeakPolarHBondContact O-CG2 3.45Å; N101-N186 PolarHBondContact O-ND2 3.36Å
102N96.8Very high95.4Very high9 Ų939.9 Ų39.95%0.04820%0.204CC..  trans-115.4115.7178.8-174.9-17.6000110.7A99 A100 A104 R105 G106 W407 Y408A99-N102 VanDerWaalsContact O-CB 3.32Å; A99-N102 WeakPolarHBondContact O-CB 3.42Å; A99-N102 PolarHBondContact O-N 3.29Å; A100-N102 PolarHBondContact O-N 3.31Å; N102-A104 VanDerWaalsContact C-N 3.27Å; N102-A104 PolarHBondContact O-N 3.48Å; N102-A104 WeakPolarHBondContact OD1-CB 3.42Å; N102-A104 PolarHBondContact OD1-N 3.37Å; N102-R105 HydrophobicContact CB-CB 4.33Å; N102-R105 HydrophobicContact CB-CG 4.12Å; N102-R105 PolarHBondContact O-N 2.85Å; N102-G106 PolarHBondContact O-N 2.81Å; N102-W407 VanDerWaalsContact ND2-C 3.35Å; N102-W407 PolarHBondContact ND2-O 3.48Å; N102-Y408 VanDerWaalsContact OD1-CD1 3.26Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.37Å
103Y98Very high95.3Very high1 Ų147.1 Ų47.10%0.00424%0.238CC..Hα-helixtrans-50.6-46.1175.2174.5-91.1000112.3R105 G106 H107 Y108 G148 S151 N186 L189 T193 M413Y103-R105 PolarHBondContact O-N 3.35Å; Y103-G106 PolarHBondContact O-N 3.41Å; Y103-H107 HydrophobicContact CD1-CB 4.35Å; Y103-H107 HydrophobicContact CE1-CB 3.89Å; Y103-H107 AromaticContact CZ-CG 3.99Å; Y103-H107 AromaticContact CZ-ND1 3.85Å; Y103-H107 WeakPolarHBondContact O-CB 3.41Å; Y103-H107 PolarHBondContact O-N 3.05Å; Y103-H107 PolarHBondContact OH-ND1 2.88Å; Y103-Y108 HydrophobicContact CE1-CE2 4.34Å; Y103-G148 VanDerWaalsContact CD2-CA 3.4Å; Y103-G148 VanDerWaalsContact CE2-CA 3.49Å; Y103-S151 WeakPolarHBondContact OH-CB 3.32Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.17Å; Y103-N186 PolarHBondContact N-OD1 3.29Å; Y103-N186 VanDerWaalsContact N-OD1 3.13Å; Y103-L189 HydrophobicContact CD1-CB 3.94Å; Y103-L189 HydrophobicContact CD1-CD1 3.79Å; Y103-L189 HydrophobicContact CD1-CG 4.44Å; Y103-L189 HydrophobicContact CD2-CB 3.86Å; Y103-L189 HydrophobicContact CE1-CB 4.08Å; Y103-L189 HydrophobicContact CE2-CB 4Å; Y103-L189 HydrophobicContact CG-CB 3.85Å; Y103-L189 HydrophobicContact CG-CD1 3.93Å; Y103-T193 WeakPolarHBondContact OH-CG2 3.12Å; Y103-T193 PolarHBondContact OH-OG1 3.29Å; Y103-T193 VanDerWaalsContact OH-OG1 3.11Å; Y103-M413 HydrophobicContact CD1-SD 4.22Å
104A97.8Very high95.2Very high0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-62.4-33.7-175.300000112N102 H107 Y108 T109 Y408 E411 M413N102-A104 VanDerWaalsContact C-N 3.27Å; N102-A104 PolarHBondContact O-N 3.48Å; N102-A104 WeakPolarHBondContact OD1-CB 3.42Å; N102-A104 PolarHBondContact OD1-N 3.37Å; A104-H107 PolarHBondContact O-N 3.44Å; A104-Y108 HydrophobicContact CB-CD2 4.22Å; A104-Y108 WeakPolarHBondContact O-CA 3.39Å; A104-Y108 WeakPolarHBondContact O-CB 3.38Å; A104-Y108 PolarHBondContact O-N 3.31Å; A104-T109 PolarHBondContact O-N 2.81Å; A104-Y408 HydrophobicContact CB-CD1 4.24Å; A104-Y408 WeakPolarHBondContact CB-O 3.28Å; A104-E411 HydrophobicContact CB-CB 3.77Å; A104-M413 HydrophobicContact CB-CB 3.72Å; A104-M413 HydrophobicContact CB-SD 4.15Å
105R97.6Very high95.3Very high28 Ų2846 Ų4611%0.10623%0.23CC..Iπ-helixtrans-66.5-45.6173.3-71.5-179.860.991.8-2.5112.4E97 D98 A99 N102 Y103 H107 T109 I110 G111 E411E97-R105 VanDerWaalsContact CD-NH2 3.25Å; E97-R105 IonicContact OE1-CZ 2.69Å; E97-R105 IonicContact OE1-NH1 3.87Å; E97-R105 IonicContact OE1-NH2 3.57Å; E97-R105 PolarHBondContact OE1-NH2 2.81Å; D98-R105 PolarHBondContact O-NE 2.97Å; D98-R105 PolarHBondContact O-NH2 2.75Å; A99-R105 HydrophobicContact CB-CB 4.08Å; N102-R105 HydrophobicContact CB-CB 4.33Å; N102-R105 HydrophobicContact CB-CG 4.12Å; N102-R105 PolarHBondContact O-N 2.85Å; Y103-R105 PolarHBondContact O-N 3.35Å; R105-H107 VanDerWaalsContact C-N 3.27Å; R105-H107 PolarHBondContact O-N 2.98Å; R105-T109 WeakPolarHBondContact CA-OG1 3.44Å; R105-I110 HydrophobicContact CB-CG1 4.32Å; R105-I110 WeakPolarHBondContact O-CB 3.36Å; R105-I110 PolarHBondContact O-N 2.89Å; R105-G111 PolarHBondContact O-N 2.95Å; R105-G111 VanDerWaalsContact O-N 3.16Å; R105-E411 WeakPolarHBondContact CD-OE1 3.48Å; R105-E411 HydrophobicContact CG-CB 4.04Å; R105-E411 HydrophobicContact CG-CG 3.51Å; R105-E411 WeakPolarHBondContact CG-OE1 3.46Å; R105-E411 IonicContact CZ-OE1 2.74Å; R105-E411 IonicContact NE-OE1 3.58Å; R105-E411 IonicContact NH1-OE1 3.96Å; R105-E411 PolarHBondContact NH1-OE1 3.19Å; R105-E411 IonicContact NH1-OE2 2.72Å
106G96.9Very high95.4Very high0 Ų051 Ų510%025%0.253CS..Iπ-helixtrans-64.5-31.8178.300000113N102 Y103 G111 G148 F149N102-G106 PolarHBondContact O-N 2.81Å; Y103-G106 PolarHBondContact O-N 3.41Å; G106-G111 VanDerWaalsContact O-CA 3.25Å; G106-G111 WeakPolarHBondContact O-CA 3.48Å; G106-G148 VanDerWaalsContact C-C 3.48Å; G106-G148 CarbonylContact O-C 3.57Å; G106-F149 VanDerWaalsContact O-CA 3.29Å; G106-F149 WeakPolarHBondContact O-CA 3.44Å; G106-F149 PolarHBondContact O-N 2.87Å
107H97.9Very high95.8Very high7 Ų744.7 Ų44.73%0.03223%0.228CC..Iπ-helixtrans-97.2-47.3-175.1-167.294.8000113.5Y103 A104 R105 G148 L152 E155Y103-H107 HydrophobicContact CD1-CB 4.35Å; Y103-H107 HydrophobicContact CE1-CB 3.89Å; Y103-H107 AromaticContact CZ-CG 3.99Å; Y103-H107 AromaticContact CZ-ND1 3.85Å; Y103-H107 WeakPolarHBondContact O-CB 3.41Å; Y103-H107 PolarHBondContact O-N 3.05Å; Y103-H107 PolarHBondContact OH-ND1 2.88Å; A104-H107 PolarHBondContact O-N 3.44Å; R105-H107 VanDerWaalsContact C-N 3.27Å; R105-H107 PolarHBondContact O-N 2.98Å; H107-G148 WeakPolarHBondContact CB-O 3.33Å; H107-G148 PolarHBondContact ND1-O 2.86Å; H107-L152 PolarHBondContact ND1-N 3.24Å; H107-E155 IonicContact CE1-OE1 3.97Å; H107-E155 PolarHBondContact CE1-OE1 3.49Å; H107-E155 VanDerWaalsContact CE1-OE1 3.24Å; H107-E155 IonicContact CE1-OE2 3.86Å; H107-E155 IonicContact NE2-OE1 3.6Å
108Y96.2Very high96.1Very high48 Ų4839.5 Ų39.519%0.18820%0.204CC..Iπ-helixtrans-103.9-37-166.2-66.5-68.5000115.5Y103 A104 K112 M413 E417Y103-Y108 HydrophobicContact CE1-CE2 4.34Å; A104-Y108 HydrophobicContact CB-CD2 4.22Å; A104-Y108 WeakPolarHBondContact O-CA 3.39Å; A104-Y108 WeakPolarHBondContact O-CB 3.38Å; A104-Y108 PolarHBondContact O-N 3.31Å; Y108-K112 WeakPolarHBondContact O-CD 3.42Å; Y108-K112 WeakPolarHBondContact O-CE 3.39Å; Y108-K112 WeakPolarHBondContact O-CG 3.38Å; Y108-K112 PolarHBondContact O-NZ 3.5Å; Y108-M413 HydrophobicContact CD2-CB 3.85Å; Y108-M413 HydrophobicContact CD2-CG 4.36Å; Y108-M413 HydrophobicContact CE2-CB 3.77Å; Y108-M413 HydrophobicContact CE2-CG 3.79Å; Y108-E417 PolarHBondContact OH-OE1 2.92Å; Y108-E417 VanDerWaalsContact OH-OE1 3.07Å; Y108-E417 PolarHBondContact OH-OE2 3.32Å
109T95Very high96.4Very high46 Ų4637.7 Ų37.728%0.28219%0.194SC..Iπ-helixtrans-103.7-79.5-175.554.30000111.4A104 R105 G111 K112 E411A104-T109 PolarHBondContact O-N 2.81Å; R105-T109 WeakPolarHBondContact CA-OG1 3.44Å; T109-G111 PolarHBondContact O-N 3Å; T109-K112 PolarHBondContact O-N 3.24Å; T109-E411 HydrophobicContact CG2-CB 4.46Å; T109-E411 VanDerWaalsContact CG2-O 3.31Å; T109-E411 WeakPolarHBondContact CG2-O 3.44Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.5Å; T109-E411 PolarHBondContact OG1-OE2 2.78Å
110I96Very high96.7Very high19 Ų1939.8 Ų39.810%0.09721%0.206CC..Hα-helixtrans-66.2-41.7-174.1-52.4-57.1000111.8L70 E97 R105 K112 E113L70-I110 HydrophobicContact CB-CG2 4.4Å; L70-I110 HydrophobicContact CD1-CB 4.32Å; L70-I110 HydrophobicContact CD1-CG2 3.97Å; L70-I110 HydrophobicContact CD2-CG2 4.18Å; L70-I110 HydrophobicContact CG-CG2 4.4Å; E97-I110 WeakPolarHBondContact O-CG2 3.38Å; R105-I110 HydrophobicContact CB-CG1 4.32Å; R105-I110 WeakPolarHBondContact O-CB 3.36Å; R105-I110 PolarHBondContact O-N 2.89Å; I110-K112 VanDerWaalsContact C-N 3.27Å; I110-K112 PolarHBondContact O-N 2.75Å; I110-E113 WeakPolarHBondContact O-CB 3.37Å; I110-E113 PolarHBondContact O-N 2.87Å; I110-E113 VanDerWaalsContact O-N 3.08Å
111G95.2Very high96.9Very high0 Ų039.7 Ų39.70%019%0.193CC..Hα-helixtrans-60.2-34.8-178.900000114.2R105 G106 T109 E113 I114 I115R105-G111 PolarHBondContact O-N 2.95Å; R105-G111 VanDerWaalsContact O-N 3.16Å; G106-G111 VanDerWaalsContact O-CA 3.25Å; G106-G111 WeakPolarHBondContact O-CA 3.48Å; T109-G111 PolarHBondContact O-N 3Å; G111-E113 PolarHBondContact O-N 2.8Å; G111-I114 PolarHBondContact O-N 2.92Å; G111-I115 PolarHBondContact O-N 2.82Å
112K94.9Very high97Very high109 Ų10936.7 Ų36.747%0.47418%0.177SC..Hα-helixtrans-65.2-23.7178.2-68.4-168.5-172.8139.90113.1Y108 T109 I110 I114 L152Y108-K112 WeakPolarHBondContact O-CD 3.42Å; Y108-K112 WeakPolarHBondContact O-CE 3.39Å; Y108-K112 WeakPolarHBondContact O-CG 3.38Å; Y108-K112 PolarHBondContact O-NZ 3.5Å; T109-K112 PolarHBondContact O-N 3.24Å; I110-K112 VanDerWaalsContact C-N 3.27Å; I110-K112 PolarHBondContact O-N 2.75Å; K112-I114 VanDerWaalsContact C-N 3.31Å; K112-L152 HydrophobicContact CG-CD2 4.46Å
113E95.8Very high97Very high162 Ų16242.5 Ų42.576%0.75720%0.198SC*.Hα-helixtrans-72.6-26.4178.9-58.1-171.3171.800112.7I110 G111I110-E113 WeakPolarHBondContact O-CB 3.37Å; I110-E113 PolarHBondContact O-N 2.87Å; I110-E113 VanDerWaalsContact O-N 3.08Å; G111-E113 PolarHBondContact O-N 2.8Å
114I96.4Very high97Very high16 Ų1646.4 Ų46.48%0.08222%0.215CC..Hα-helixtrans-113.5-15.1-172.7-153.1169.2000114L70 I93 G111 K112 D116 L117 V118 F149L70-I114 HydrophobicContact CD2-CG2 3.64Å; I93-I114 HydrophobicContact CG2-CD1 3.67Å; I93-I114 HydrophobicContact CG2-CG1 4.01Å; G111-I114 PolarHBondContact O-N 2.92Å; K112-I114 VanDerWaalsContact C-N 3.31Å; I114-D116 VanDerWaalsContact C-N 3.34Å; I114-D116 PolarHBondContact O-N 3.22Å; I114-L117 HydrophobicContact CG1-CB 4.49Å; I114-L117 HydrophobicContact CG1-CD2 4.23Å; I114-L117 WeakPolarHBondContact O-CB 3.37Å; I114-L117 PolarHBondContact O-N 3.09Å; I114-L117 VanDerWaalsContact O-N 3.12Å; I114-V118 HydrophobicContact CG1-CG2 4.39Å; I114-V118 WeakPolarHBondContact O-CG2 3.45Å; I114-V118 PolarHBondContact O-N 3.38Å; I114-F149 HydrophobicContact CG2-CD2 4.2Å; I114-F149 HydrophobicContact CG2-CE2 3.43Å; I114-F149 VanDerWaalsContact CG2-CE2 3.43Å; I114-F149 HydrophobicContact CG2-CZ 3.91Å
115I97.7Very high96.9Very high8 Ų846.8 Ų46.84%0.04122%0.217CC..Hα-helixtrans-56.3-43.9-174.9-17359.3000113G111 L117 V118 L119 F149 L152 L153 R156G111-I115 PolarHBondContact O-N 2.82Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.13Å; I115-V118 PolarHBondContact O-N 3.5Å; I115-V118 VanDerWaalsContact O-N 3.16Å; I115-L119 HydrophobicContact CD1-CD1 4.33Å; I115-L119 HydrophobicContact CD1-CG 4.2Å; I115-L119 HydrophobicContact CG1-CD1 3.98Å; I115-L119 HydrophobicContact CG1-CG 4.31Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 2.67Å; I115-F149 HydrophobicContact CB-CE2 4.2Å; I115-F149 HydrophobicContact CD1-CE2 4.09Å; I115-F149 HydrophobicContact CD1-CZ 3.89Å; I115-L152 HydrophobicContact CB-CD2 3.93Å; I115-L152 HydrophobicContact CD1-CD2 4.35Å; I115-L152 HydrophobicContact CD1-CG 4.22Å; I115-L152 HydrophobicContact CG1-CD2 4.05Å; I115-L152 HydrophobicContact CG1-CG 4.12Å; I115-L152 HydrophobicContact CG2-CD2 4.3Å; I115-L153 HydrophobicContact CD1-CB 4.29Å; I115-L153 HydrophobicContact CD1-CD1 3.92Å; I115-R156 HydrophobicContact CD1-CG 4.39Å; I115-R156 HydrophobicContact CG1-CG 4.11Å
116D97.6Very high96.8Very high123 Ų12346.1 Ų46.166%0.65822%0.217SC*.Hα-helixtrans-63.9-37.5-179.6-69.8-25.4000112I114 D120I114-D116 VanDerWaalsContact C-N 3.34Å; I114-D116 PolarHBondContact O-N 3.22Å; D116-D120 PolarHBondContact O-N 3.44Å
117L97.6Very high96.7Very high74 Ų7452 Ų5239%0.38725%0.249SC..Hα-helixtrans-64.5-45.7175174.363.5000110.5I93 I114 I115 D120 R121I93-L117 HydrophobicContact CG2-CD2 3.85Å; I93-L117 HydrophobicContact CG2-CG 4.31Å; I114-L117 HydrophobicContact CG1-CB 4.49Å; I114-L117 HydrophobicContact CG1-CD2 4.23Å; I114-L117 WeakPolarHBondContact O-CB 3.37Å; I114-L117 PolarHBondContact O-N 3.09Å; I114-L117 VanDerWaalsContact O-N 3.12Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.13Å; L117-D120 PolarHBondContact O-N 3Å; L117-R121 WeakPolarHBondContact O-CG 3.32Å; L117-R121 PolarHBondContact O-N 3.44Å; L117-R121 VanDerWaalsContact O-N 3.12Å
118V98.1Very high96.4Very high0 Ų057 Ų570%027%0.272CS..Hα-helixtrans-62.4-46.6179.8172.90000110.9V68 I93 I114 I115 D120 R121 I122 F149 L153V68-V118 HydrophobicContact CB-CG2 4.44Å; V68-V118 HydrophobicContact CG1-CG2 3.69Å; V68-V118 HydrophobicContact CG2-CB 4.49Å; V68-V118 HydrophobicContact CG2-CG1 3.81Å; V68-V118 HydrophobicContact CG2-CG2 3.82Å; I93-V118 HydrophobicContact CD1-CB 4.35Å; I93-V118 HydrophobicContact CD1-CG2 3.88Å; I93-V118 HydrophobicContact CG2-CG2 4.01Å; I114-V118 HydrophobicContact CG1-CG2 4.39Å; I114-V118 WeakPolarHBondContact O-CG2 3.45Å; I114-V118 PolarHBondContact O-N 3.38Å; I115-V118 PolarHBondContact O-N 3.5Å; I115-V118 VanDerWaalsContact O-N 3.16Å; V118-D120 VanDerWaalsContact C-N 3.34Å; V118-D120 PolarHBondContact O-N 3.47Å; V118-R121 PolarHBondContact O-N 2.75Å; V118-R121 VanDerWaalsContact O-N 3.14Å; V118-I122 HydrophobicContact CG1-CD1 3.75Å; V118-I122 HydrophobicContact CG1-CG1 4.42Å; V118-I122 WeakPolarHBondContact O-CG1 3.39Å; V118-I122 PolarHBondContact O-N 2.87Å; V118-F149 HydrophobicContact CB-CZ 4.15Å; V118-F149 HydrophobicContact CG1-CE1 4.38Å; V118-F149 HydrophobicContact CG1-CZ 4.31Å; V118-F149 HydrophobicContact CG2-CE1 4.33Å; V118-F149 HydrophobicContact CG2-CZ 3.81Å; V118-L153 HydrophobicContact CG1-CD1 4.19Å
119L98.1Very high96.3Very high22 Ų2255.5 Ų55.512%0.11527%0.269CS..Hα-helixtrans-61-40.5176.9-69171.8000112I115 R121 I122 R123 L153 R156 L157I115-L119 HydrophobicContact CD1-CD1 4.33Å; I115-L119 HydrophobicContact CD1-CG 4.2Å; I115-L119 HydrophobicContact CG1-CD1 3.98Å; I115-L119 HydrophobicContact CG1-CG 4.31Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 2.67Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 2.79Å; L119-I122 PolarHBondContact O-N 3.15Å; L119-R123 WeakPolarHBondContact O-CB 3.37Å; L119-R123 PolarHBondContact O-N 2.62Å; L119-L153 HydrophobicContact CD2-CD1 3.98Å; L119-R156 HydrophobicContact CD1-CB 3.8Å; L119-R156 HydrophobicContact CD1-CG 4.04Å; L119-R156 HydrophobicContact CD2-CB 3.92Å; L119-R156 HydrophobicContact CG-CB 4.43Å; L119-L157 HydrophobicContact CD2-CD2 4.35Å
120D97.9Very high96.1Very high45 Ų4559 Ų5924%0.24129%0.29CS..Hα-helixtrans-60.3-41.3174.3-178.665.6000112D116 L117 V118 R123 K124D116-D120 PolarHBondContact O-N 3.44Å; L117-D120 PolarHBondContact O-N 3Å; V118-D120 VanDerWaalsContact C-N 3.34Å; V118-D120 PolarHBondContact O-N 3.47Å; D120-R123 PolarHBondContact O-N 2.82Å; D120-R123 IonicContact OD1-CZ 2.82Å; D120-R123 IonicContact OD1-NE 3.91Å; D120-R123 IonicContact OD1-NH2 3.84Å; D120-R123 PolarHBondContact OD1-NH2 2.77Å; D120-K124 WeakPolarHBondContact O-CG 3.31Å; D120-K124 PolarHBondContact O-N 3.42Å; D120-K124 VanDerWaalsContact OD2-CE 3.31Å; D120-K124 WeakPolarHBondContact OD2-CE 3.21Å; D120-K124 IonicContact OD2-NZ 2.62Å
121R97.6Very high95.9Very high54 Ų5459.4 Ų59.420%0.20430%0.3CS..Hα-helixtrans-69.9-39.6178-57.7-41.7171.1103.9-10.9112.6E90 I93 L117 V118 L119 R123 K124 L125E90-R121 VanDerWaalsContact CD-NH1 3.31Å; E90-R121 WeakPolarHBondContact O-CG 3.48Å; E90-R121 PolarHBondContact O-NH1 3.47Å; E90-R121 IonicContact OE2-CZ 2.75Å; E90-R121 IonicContact OE2-NE 2.79Å; E90-R121 IonicContact OE2-NH1 3.19Å; E90-R121 PolarHBondContact OE2-NH1 2.82Å; E90-R121 IonicContact OE2-NH2 3.67Å; I93-R121 HydrophobicContact CD1-CB 3.85Å; I93-R121 HydrophobicContact CD1-CG 3.56Å; I93-R121 HydrophobicContact CG1-CG 4.32Å; L117-R121 WeakPolarHBondContact O-CG 3.32Å; L117-R121 PolarHBondContact O-N 3.44Å; L117-R121 VanDerWaalsContact O-N 3.12Å; V118-R121 PolarHBondContact O-N 2.75Å; V118-R121 VanDerWaalsContact O-N 3.14Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 2.79Å; R121-R123 VanDerWaalsContact C-N 3.31Å; R121-K124 PolarHBondContact O-N 3.47Å; R121-L125 PolarHBondContact O-N 3.32Å
122I98.1Very high95.8Very high0 Ų060.1 Ų60.10%030%0.303CS..Hα-helixtrans-61.7-44.1173.7-68167.2000109.9I7 V66 V118 L119 K124 L125 A126 F135 L153 L157 Y161I7-I122 HydrophobicContact CD1-CD1 3.67Å; I7-I122 HydrophobicContact CD1-CG1 4.27Å; I7-I122 HydrophobicContact CG1-CD1 4.38Å; V66-I122 HydrophobicContact CG2-CG1 4.04Å; V118-I122 HydrophobicContact CG1-CD1 3.75Å; V118-I122 HydrophobicContact CG1-CG1 4.42Å; V118-I122 WeakPolarHBondContact O-CG1 3.39Å; V118-I122 PolarHBondContact O-N 2.87Å; L119-I122 PolarHBondContact O-N 3.15Å; I122-K124 PolarHBondContact O-N 3.26Å; I122-L125 PolarHBondContact O-N 3.36Å; I122-L125 VanDerWaalsContact O-N 3.1Å; I122-A126 PolarHBondContact O-N 3.37Å; I122-F135 HydrophobicContact CG2-CE1 3.63Å; I122-F135 HydrophobicContact CG2-CZ 4.18Å; I122-L153 HydrophobicContact CD1-CD1 3.89Å; I122-L157 HydrophobicContact CD1-CD2 4.31Å; I122-L157 HydrophobicContact CG2-CD2 4.2Å; I122-Y161 HydrophobicContact CG2-CE2 4.45Å
123R97.6Very high95.7Very high130 Ų13056 Ų5649%0.49129%0.285SS..Hα-helixtrans-59.2-45.8177.1-175.117763.5-162.2-4.7112.2L119 D120 R121 L125 A126 D127 Y161L119-R123 WeakPolarHBondContact O-CB 3.37Å; L119-R123 PolarHBondContact O-N 2.62Å; D120-R123 PolarHBondContact O-N 2.82Å; D120-R123 IonicContact OD1-CZ 2.82Å; D120-R123 IonicContact OD1-NE 3.91Å; D120-R123 IonicContact OD1-NH2 3.84Å; D120-R123 PolarHBondContact OD1-NH2 2.77Å; R121-R123 VanDerWaalsContact C-N 3.31Å; R123-L125 PolarHBondContact O-N 3.43Å; R123-A126 WeakPolarHBondContact O-CB 3.27Å; R123-A126 PolarHBondContact O-N 3.31Å; R123-A126 VanDerWaalsContact O-N 3.09Å; R123-D127 VanDerWaalsContact O-CG 3.25Å; R123-D127 PolarHBondContact O-N 3.31Å; R123-Y161 WeakPolarHBondContact CA-OH 3.39Å
124K96.6Very high95.6Very high83 Ų8348.2 Ų48.236%0.36125%0.249SC..Hα-helixtrans-57-36.5175.3-72.4-178.7-170.6-177.10112.8E90 D120 R121 I122 Q128E90-K124 IonicContact OE2-NZ 2.69Å; E90-K124 PolarHBondContact OE2-NZ 3.02Å; E90-K124 VanDerWaalsContact OE2-NZ 3.07Å; D120-K124 WeakPolarHBondContact O-CG 3.31Å; D120-K124 PolarHBondContact O-N 3.42Å; D120-K124 VanDerWaalsContact OD2-CE 3.31Å; D120-K124 WeakPolarHBondContact OD2-CE 3.21Å; D120-K124 IonicContact OD2-NZ 2.62Å; R121-K124 PolarHBondContact O-N 3.47Å; I122-K124 PolarHBondContact O-N 3.26Å; K124-Q128 WeakPolarHBondContact O-CG 3.12Å; K124-Q128 PolarHBondContact O-N 2.78Å
125L96Very high95.7Very high9 Ų947.5 Ų47.55%0.04725%0.245CC..Hα-helixtrans-74.6-38.9175.4-67177000112.2I5 V66 Q91 R121 I122 R123 D127 Q128 C129I5-L125 HydrophobicContact CD1-CB 3.82Å; I5-L125 HydrophobicContact CG1-CB 4.42Å; I5-L125 HydrophobicContact CG2-CD1 4.36Å; V66-L125 HydrophobicContact CG2-CD1 3.49Å; V66-L125 VanDerWaalsContact CG2-CD1 3.49Å; Q91-L125 HydrophobicContact CG-CD1 4.32Å; R121-L125 PolarHBondContact O-N 3.32Å; I122-L125 PolarHBondContact O-N 3.36Å; I122-L125 VanDerWaalsContact O-N 3.1Å; R123-L125 PolarHBondContact O-N 3.43Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 3.18Å; L125-Q128 WeakPolarHBondContact O-CB 3.47Å; L125-Q128 PolarHBondContact O-N 3.2Å; L125-Q128 VanDerWaalsContact O-N 3.16Å; L125-C129 PolarHBondContact O-N 3.17Å; L125-C129 PolarHBondContact O-SG 3Å
126A96.1Very high95.6Very high13 Ų1347.2 Ų47.211%0.10724%0.244CC..Hα-helixtrans-62.1-39.3175.100000111.7I5 I122 R123 Q128 C129 L132 Y161I5-A126 HydrophobicContact CD1-CB 4.26Å; I122-A126 PolarHBondContact O-N 3.37Å; R123-A126 WeakPolarHBondContact O-CB 3.27Å; R123-A126 PolarHBondContact O-N 3.31Å; R123-A126 VanDerWaalsContact O-N 3.09Å; A126-Q128 PolarHBondContact O-N 3.44Å; A126-C129 WeakPolarHBondContact O-CB 3.29Å; A126-C129 PolarHBondContact O-N 3.4Å; A126-L132 HydrophobicContact CB-CD2 3.94Å; A126-Y161 HydrophobicContact CB-CE1 4.01Å
127D95.3Very high95.7Very high123 Ų12341.4 Ų41.466%0.65821%0.213SC*.Hα-helixtrans-65.5-23.5176.3-68-19.3000112.6R123 L125 C129R123-D127 VanDerWaalsContact O-CG 3.25Å; R123-D127 PolarHBondContact O-N 3.31Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 3.18Å; D127-C129 VanDerWaalsContact C-N 3.31Å
128Q91.8Very high95.7Very high112 Ų11238 Ų3852%0.52320%0.195SC..THydrogen-bonded Turntrans-84.2-3.9173.3-68.7174.24.900113.3R64 K124 L125 A126R64-Q128 PolarHBondContact NH1-O 3.09Å; K124-Q128 WeakPolarHBondContact O-CG 3.12Å; K124-Q128 PolarHBondContact O-N 2.78Å; L125-Q128 WeakPolarHBondContact O-CB 3.47Å; L125-Q128 PolarHBondContact O-N 3.2Å; L125-Q128 VanDerWaalsContact O-N 3.16Å; A126-Q128 PolarHBondContact O-N 3.44Å
129C93.4Very high95.7Very high18 Ų1838 Ų3812%0.12220%0.195CC..  trans-97.3134.2178.4-64.80000110.2E3 R64 L125 A126 D127 L132E3-C129 HydrophobicContact CB-CB 3.97Å; E3-C129 VanDerWaalsContact CB-SG 3.54Å; E3-C129 HydrophobicContact CG-CB 4.17Å; R64-C129 PolarHBondContact NH1-SG 2.95Å; R64-C129 VanDerWaalsContact NH1-SG 3.44Å; L125-C129 PolarHBondContact O-N 3.17Å; L125-C129 PolarHBondContact O-SG 3Å; A126-C129 WeakPolarHBondContact O-CB 3.29Å; A126-C129 PolarHBondContact O-N 3.4Å; D127-C129 VanDerWaalsContact C-N 3.31Å; C129-L132 HydrophobicContact CB-CB 3.98Å
130T91.4Very high95.6Very high118 Ų11837.8 Ų37.872%0.72420%0.196SC*.SBendtrans-79.8-30.5174.361.30000112E3E3-T130 PolarHBondContact OE1-N 3.2Å; E3-T130 PolarHBondContact OE1-OG1 3.43Å
131G90.1Very high95.5Very high29 Ų2935.8 Ų35.830%0.29919%0.185SC..SBendtrans-150.959-175.500000112.5E3 Q133E3-G131 PolarHBondContact N-O 3Å; E3-G131 VanDerWaalsContact OE2-CA 3.31Å; E3-G131 WeakPolarHBondContact OE2-CA 3.35Å; E3-G131 PolarHBondContact OE2-N 3.37Å; G131-Q133 PolarHBondContact O-N 2.84Å; G131-Q133 VanDerWaalsContact O-N 3.15Å
132L94.3Very high95.2Very high14 Ų1433.4 Ų33.47%0.07318%0.177CC..  trans-51.5120.3177.4179.565.9000110.9I5 A126 C129 F135 K164I5-L132 HydrophobicContact CB-CD1 4.47Å; I5-L132 HydrophobicContact CD1-CD1 3.73Å; I5-L132 HydrophobicContact CD1-CD2 4.29Å; I5-L132 HydrophobicContact CG1-CD1 3.8Å; A126-L132 HydrophobicContact CB-CD2 3.94Å; C129-L132 HydrophobicContact CB-CB 3.98Å; L132-F135 HydrophobicContact CD2-CE1 4.29Å; L132-F135 HydrophobicContact CD2-CZ 3.92Å; L132-K164 WeakPolarHBondContact O-CD 3.29Å; L132-K164 WeakPolarHBondContact O-CE 3.47Å; L132-K164 PolarHBondContact O-NZ 3.16Å
133Q91.9Very high95Very high22 Ų2234.1 Ų34.110%0.10318%0.184CC..  trans-80.8-45.2175.4-62.3-166.9-60.400111.5R2 E3 C4 G131 S165 L252R2-Q133 VanDerWaalsContact CB-CD 3.5Å; R2-Q133 HydrophobicContact CB-CG 3.85Å; R2-Q133 HydrophobicContact CG-CG 4.25Å; E3-Q133 PolarHBondContact O-N 2.79Å; C4-Q133 PolarHBondContact SG-OE1 3.3Å; G131-Q133 PolarHBondContact O-N 2.84Å; G131-Q133 VanDerWaalsContact O-N 3.15Å; Q133-S165 PolarHBondContact O-N 3.04Å; Q133-L252 HydrophobicContact CB-CD1 3.78Å; Q133-L252 HydrophobicContact CB-CG 4.18Å
134G94.8Very high94.9Very high0 Ų028 Ų280%016%0.162CC..EExtended strand (participates in β ladder)trans170.7-169.8-167.100000114.7I5 S165I5-G134 PolarHBondContact N-O 3.09Å; G134-S165 CarbonylContact C-O 3.42Å; G134-S165 WeakPolarHBondContact CA-O 3.42Å
135F97.3Very high94.9Very high0 Ų024.7 Ų24.70%015%0.149CC..EExtended strand (participates in β ladder)trans-119140.1-176.5-54.7-79.7000110.6I5 I7 I122 L132 V137 L157 Y161 K164 S165 K166 L167I5-F135 HydrophobicContact CB-CD1 3.93Å; I5-F135 HydrophobicContact CB-CE1 4.21Å; I5-F135 HydrophobicContact CD1-CE1 4.12Å; I5-F135 HydrophobicContact CG2-CD1 4.23Å; I5-F135 HydrophobicContact CG2-CE1 4.5Å; I5-F135 CarbonylContact O-C 3.54Å; I5-F135 VanDerWaalsContact O-CA 3.29Å; I5-F135 WeakPolarHBondContact O-CA 3.3Å; I7-F135 HydrophobicContact CD1-CB 4.29Å; I7-F135 HydrophobicContact CD1-CD1 3.78Å; I7-F135 HydrophobicContact CD1-CG 4.27Å; I122-F135 HydrophobicContact CG2-CE1 3.63Å; I122-F135 HydrophobicContact CG2-CZ 4.18Å; L132-F135 HydrophobicContact CD2-CE1 4.29Å; L132-F135 HydrophobicContact CD2-CZ 3.92Å; F135-V137 HydrophobicContact CB-CG2 4.34Å; F135-L157 HydrophobicContact CD2-CD1 4.32Å; F135-L157 HydrophobicContact CE1-CD2 4.31Å; F135-L157 HydrophobicContact CE2-CD2 4.11Å; F135-L157 HydrophobicContact CG-CD1 4.29Å; F135-L157 HydrophobicContact CZ-CD2 4Å; F135-Y161 AromaticContact CE2-CD2 3.99Å; F135-Y161 HydrophobicContact CE2-CD2 3.99Å; F135-Y161 AromaticContact CE2-CG 3.86Å; F135-Y161 HydrophobicContact CE2-CG 3.86Å; F135-Y161 HydrophobicContact CZ-CD1 4.24Å; F135-Y161 AromaticContact CZ-CD2 3.73Å; F135-Y161 HydrophobicContact CZ-CD2 3.73Å; F135-Y161 HydrophobicContact CZ-CE2 4.09Å; F135-Y161 AromaticContact CZ-CG 3.82Å; F135-Y161 HydrophobicContact CZ-CG 3.82Å; F135-K164 HydrophobicContact CE2-CB 4.28Å; F135-S165 PolarHBondContact N-O 3.12Å; F135-K166 HydrophobicContact CD2-CG 4.06Å; F135-L167 PolarHBondContact O-N 3.3Å
136L97.3Very high94.9Very high3 Ų324.3 Ų24.32%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-108.8111.3168.2-57.3178.2000107.4I5 S6 I7 F52 F138 L167 F169 T239 L252I5-L136 PolarHBondContact O-N 2.93Å; S6-L136 CarbonylContact C-O 3.59Å; S6-L136 WeakPolarHBondContact CA-O 3.35Å; I7-L136 PolarHBondContact N-O 2.93Å; F52-L136 HydrophobicContact CE1-CD1 3.93Å; F52-L136 HydrophobicContact CZ-CD1 3.66Å; L136-F138 HydrophobicContact CB-CE2 3.78Å; L136-F138 HydrophobicContact CB-CZ 4.38Å; L136-L167 CarbonylContact C-O 3.5Å; L136-L167 WeakPolarHBondContact CA-O 3.46Å; L136-L167 HydrophobicContact CD2-CB 3.89Å; L136-L167 HydrophobicContact CD2-CD1 3.95Å; L136-F169 HydrophobicContact CB-CE2 4.47Å; L136-F169 HydrophobicContact CD2-CE2 4.32Å; L136-T239 HydrophobicContact CD1-CG2 3.89Å; L136-L252 HydrophobicContact CD2-CD2 4.02Å
137V98.3Very high95Very high0 Ų023.7 Ų23.70%014%0.142CC..EExtended strand (participates in β ladder)trans-105.6119.2-173.9-175.60000109.8I7 F135 T150 M154 L167 E168 F169I7-V137 CarbonylContact O-C 3.54Å; I7-V137 WeakPolarHBondContact O-CA 3.26Å; F135-V137 HydrophobicContact CB-CG2 4.34Å; V137-T150 HydrophobicContact CG1-CG2 3.84Å; V137-M154 HydrophobicContact CG2-SD 3.93Å; V137-L167 PolarHBondContact N-O 3.47Å; V137-E168 HydrophobicContact CB-CG 4.29Å; V137-E168 CarbonylContact O-C 3.53Å; V137-E168 WeakPolarHBondContact O-CA 3.25Å; V137-F169 PolarHBondContact O-N 3.27Å
138F98.4Very high95.1Very high2 Ų217.9 Ų17.91%0.00911%0.11CC..EExtended strand (participates in β ladder)trans-107.8119.9-179.6-63-97.3000109.3I7 H8 V9 G13 I16 L136 F169 V235I7-F138 PolarHBondContact O-N 3.07Å; H8-F138 AromaticContact CD2-CD2 3.57Å; H8-F138 AromaticContact CD2-CG 3.82Å; H8-F138 AromaticContact NE2-CD2 3.71Å; H8-F138 AromaticContact NE2-CE2 3.97Å; V9-F138 PolarHBondContact N-O 3.27Å; G13-F138 WeakPolarHBondContact CA-O 3.43Å; I16-F138 HydrophobicContact CG2-CD1 4.08Å; L136-F138 HydrophobicContact CB-CE2 3.78Å; L136-F138 HydrophobicContact CB-CZ 4.38Å; F138-F169 HydrophobicContact CD1-CB 3.49Å; F138-F169 VanDerWaalsContact CD1-CB 3.49Å; F138-F169 AromaticContact CD1-CD2 3.81Å; F138-F169 HydrophobicContact CD1-CD2 3.81Å; F138-F169 AromaticContact CD1-CG 3.84Å; F138-F169 HydrophobicContact CD1-CG 3.84Å; F138-F169 HydrophobicContact CD2-CD2 4.5Å; F138-F169 HydrophobicContact CE1-CB 3.71Å; F138-F169 HydrophobicContact CE1-CD1 4.31Å; F138-F169 AromaticContact CE1-CD2 3.25Å; F138-F169 HydrophobicContact CE1-CD2 3.25Å; F138-F169 AromaticContact CE1-CE2 3.88Å; F138-F169 HydrophobicContact CE1-CE2 3.88Å; F138-F169 AromaticContact CE1-CG 3.49Å; F138-F169 HydrophobicContact CE1-CG 3.49Å; F138-F169 VanDerWaalsContact CE1-CG 3.49Å; F138-F169 HydrophobicContact CE2-CD2 4.04Å; F138-F169 HydrophobicContact CE2-CE2 4.44Å; F138-F169 HydrophobicContact CG-CB 4.23Å; F138-F169 HydrophobicContact CG-CD2 4.4Å; F138-F169 AromaticContact CZ-CD2 3.38Å; F138-F169 HydrophobicContact CZ-CD2 3.38Å; F138-F169 AromaticContact CZ-CE2 3.67Å; F138-F169 HydrophobicContact CZ-CE2 3.67Å; F138-F169 HydrophobicContact CZ-CG 4.12Å; F138-V235 HydrophobicContact CE1-CB 4.45Å; F138-V235 HydrophobicContact CE1-CG1 3.59Å; F138-V235 HydrophobicContact CE1-CG2 3.97Å; F138-V235 HydrophobicContact CZ-CG1 3.69Å
139H98.1Very high95.4Very high1 Ų112.5 Ų12.51%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-156.3170.4-176.274.6116.2000111.9V9 F141 G146 T150 E168 F169 S170 I171V9-H139 HydrophobicContact CB-CB 4.29Å; H139-F141 AromaticContact CE1-CD1 3.74Å; H139-F141 AromaticContact CE1-CE1 3.74Å; H139-G146 WeakPolarHBondContact CB-O 3.43Å; H139-G146 PolarHBondContact ND1-O 3.34Å; H139-T150 HydrophobicContact CB-CG2 4.13Å; H139-T150 WeakPolarHBondContact CB-OG1 3.29Å; H139-E168 IonicContact NE2-OE1 2.62Å; H139-F169 PolarHBondContact N-O 3.37Å; H139-S170 PolarHBondContact NE2-OG 3.46Å; H139-S170 WeakPolarHBondContact O-CA 3.47Å; H139-I171 PolarHBondContact O-N 2.68Å
140S95.8Very high95.7Very high18 Ų1811.7 Ų11.713%0.1268%0.08CC..EExtended strand (participates in β ladder)trans-109.5146170.260.70000111.3G143 G146 S147S140-G143 PolarHBondContact OG-N 2.88Å; S140-G146 CarbonylContact O-C 3.53Å; S140-G146 WeakPolarHBondContact O-CA 3.29Å; S140-S147 PolarHBondContact O-N 3.48Å
141F94.9Very high96Very high2 Ų26 Ų61%0.0095%0.045CC..SBendtrans-72.2-31.7171.8-71.4-24.1000112.6H139 S147 S170 I171 Y172 N186 S187 T190 M203 W388H139-F141 AromaticContact CE1-CD1 3.74Å; H139-F141 AromaticContact CE1-CE1 3.74Å; F141-S147 WeakPolarHBondContact O-CB 3.49Å; F141-S170 VanDerWaalsContact CE1-CB 3.41Å; F141-S170 VanDerWaalsContact CZ-CB 3.43Å; F141-I171 PolarHBondContact N-O 2.83Å; F141-Y172 HydrophobicContact CD2-CD2 4.32Å; F141-Y172 HydrophobicContact CE2-CD2 4.46Å; F141-N186 CarbonylContact O-C 3.55Å; F141-N186 VanDerWaalsContact O-CB 3.26Å; F141-N186 WeakPolarHBondContact O-CB 3.46Å; F141-S187 WeakPolarHBondContact CB-OG 3.24Å; F141-S187 PolarHBondContact O-N 3.08Å; F141-T190 HydrophobicContact CB-CG2 4.42Å; F141-T190 HydrophobicContact CD1-CG2 3.59Å; F141-T190 HydrophobicContact CE1-CG2 4.19Å; F141-T190 HydrophobicContact CG-CG2 4.31Å; F141-M203 HydrophobicContact CE2-CG 4.26Å; F141-M203 HydrophobicContact CE2-SD 3.86Å; F141-M203 HydrophobicContact CZ-CG 4.49Å; F141-M203 HydrophobicContact CZ-SD 4.42Å; F141-W388 AromaticContact CE2-CH2 3.93Å; F141-W388 HydrophobicContact CE2-CH2 3.93Å; F141-W388 HydrophobicContact CE2-CZ3 4.34Å; F141-W388 HydrophobicContact CZ-CH2 4.11Å
142G91.4Very high96.4Very high4 Ų44.9 Ų4.94%0.0413%0.032CC..SBendtrans-78.9-31.6-173.100000115.5N186G142-N186 PolarHBondContact O-ND2 2.77Å
143G93.8Very high96.5Very high15 Ų154.2 Ų4.216%0.1553%0.029CC..SBendtrans-79.8148.5-175.200000112.4S140 T145 G146 S147S140-G143 PolarHBondContact OG-N 2.88Å; G143-T145 PolarHBondContact O-N 3.03Å; G143-G146 PolarHBondContact O-N 2.87Å; G143-S147 VanDerWaalsContact O-CB 3.23Å; G143-S147 WeakPolarHBondContact O-CB 3.28Å; G143-S147 PolarHBondContact O-N 3.24Å; G143-S147 PolarHBondContact O-OG 3.41Å
144G95.4Very high96.8Very high2 Ų23.1 Ų3.12%0.0212%0.024CC..Hα-helixtrans-65-39.8179.300000113S147 G148G144-S147 PolarHBondContact O-OG 3.3Å; G144-G148 PolarHBondContact O-N 2.8Å
145T97.1Very high97Very high14 Ų145.6 Ų5.69%0.0864%0.035CC..Iπ-helixtrans-70.7-47.7173.6-51.20000110.7V9 L70 G143 S147 F149V9-T145 HydrophobicContact CG1-CG2 3.99Å; L70-T145 HydrophobicContact CB-CG2 4.46Å; L70-T145 HydrophobicContact CD1-CG2 4.1Å; L70-T145 HydrophobicContact CG-CG2 3.78Å; G143-T145 PolarHBondContact O-N 3.03Å; T145-S147 VanDerWaalsContact C-N 3.25Å; T145-S147 PolarHBondContact O-N 2.85Å; T145-F149 HydrophobicContact CG2-CB 4.13Å; T145-F149 VanDerWaalsContact O-CB 3.23Å; T145-F149 WeakPolarHBondContact O-CB 3.45Å; T145-F149 PolarHBondContact O-N 3.06Å; T145-F149 VanDerWaalsContact O-N 3.13Å
146G96.7Very high97Very high1 Ų110.9 Ų10.91%0.016%0.055CC..Iπ-helixtrans-62.5-30.5-178.400000113.7H139 S140 G143 T150H139-G146 WeakPolarHBondContact CB-O 3.43Å; H139-G146 PolarHBondContact ND1-O 3.34Å; S140-G146 CarbonylContact O-C 3.53Å; S140-G146 WeakPolarHBondContact O-CA 3.29Å; G143-G146 PolarHBondContact O-N 2.87Å; G146-T150 WeakPolarHBondContact O-CB 3.5Å; G146-T150 PolarHBondContact O-OG1 2.86Å
147S97.1Very high97Very high0 Ų010.8 Ų10.80%05%0.054CC..Iπ-helixtrans-89.4-69.9176.159.20000110.6S140 F141 G143 G144 T145 F149 T150 S151 T190S140-S147 PolarHBondContact O-N 3.48Å; F141-S147 WeakPolarHBondContact O-CB 3.49Å; G143-S147 VanDerWaalsContact O-CB 3.23Å; G143-S147 WeakPolarHBondContact O-CB 3.28Å; G143-S147 PolarHBondContact O-N 3.24Å; G143-S147 PolarHBondContact O-OG 3.41Å; G144-S147 PolarHBondContact O-OG 3.3Å; T145-S147 VanDerWaalsContact C-N 3.25Å; T145-S147 PolarHBondContact O-N 2.85Å; S147-F149 PolarHBondContact O-N 3.41Å; S147-T150 PolarHBondContact O-N 3.06Å; S147-S151 PolarHBondContact O-N 3.17Å; S147-S151 PolarHBondContact O-OG 3.32Å; S147-T190 PolarHBondContact O-OG1 3.27Å
148G97.7Very high97Very high0 Ų012 Ų120%06%0.063CC..Iπ-helixtrans-61.8-48.2-171.700000114.9Y103 G106 H107 G144 T150 S151 L152Y103-G148 VanDerWaalsContact CD2-CA 3.4Å; Y103-G148 VanDerWaalsContact CE2-CA 3.49Å; G106-G148 VanDerWaalsContact C-C 3.48Å; G106-G148 CarbonylContact O-C 3.57Å; H107-G148 WeakPolarHBondContact CB-O 3.33Å; H107-G148 PolarHBondContact ND1-O 2.86Å; G144-G148 PolarHBondContact O-N 2.8Å; G148-T150 VanDerWaalsContact C-N 3.35Å; G148-S151 PolarHBondContact O-N 3.24Å; G148-L152 PolarHBondContact O-N 3.19Å; G148-L152 VanDerWaalsContact O-N 3.1Å
149F98.5Very high96.9Very high0 Ų017 Ų170%09%0.094CC..Iπ-helixtrans-70.9-34.2-178.7-172.2-96.5000111.6V9 V68 L70 G106 I114 I115 V118 T145 S147 L152 L153V9-F149 HydrophobicContact CG1-CB 4.28Å; V9-F149 HydrophobicContact CG1-CD1 3.74Å; V9-F149 HydrophobicContact CG1-CG 4.48Å; V68-F149 HydrophobicContact CB-CE1 4.32Å; V68-F149 HydrophobicContact CG1-CD1 4.26Å; V68-F149 HydrophobicContact CG1-CE1 3.66Å; V68-F149 HydrophobicContact CG1-CZ 4.09Å; L70-F149 HydrophobicContact CD2-CD2 4.44Å; G106-F149 VanDerWaalsContact O-CA 3.29Å; G106-F149 WeakPolarHBondContact O-CA 3.44Å; G106-F149 PolarHBondContact O-N 2.87Å; I114-F149 HydrophobicContact CG2-CD2 4.2Å; I114-F149 HydrophobicContact CG2-CE2 3.43Å; I114-F149 VanDerWaalsContact CG2-CE2 3.43Å; I114-F149 HydrophobicContact CG2-CZ 3.91Å; I115-F149 HydrophobicContact CB-CE2 4.2Å; I115-F149 HydrophobicContact CD1-CE2 4.09Å; I115-F149 HydrophobicContact CD1-CZ 3.89Å; V118-F149 HydrophobicContact CB-CZ 4.15Å; V118-F149 HydrophobicContact CG1-CE1 4.38Å; V118-F149 HydrophobicContact CG1-CZ 4.31Å; V118-F149 HydrophobicContact CG2-CE1 4.33Å; V118-F149 HydrophobicContact CG2-CZ 3.81Å; T145-F149 HydrophobicContact CG2-CB 4.13Å; T145-F149 VanDerWaalsContact O-CB 3.23Å; T145-F149 WeakPolarHBondContact O-CB 3.45Å; T145-F149 PolarHBondContact O-N 3.06Å; T145-F149 VanDerWaalsContact O-N 3.13Å; S147-F149 PolarHBondContact O-N 3.41Å; F149-L152 HydrophobicContact CD2-CD2 4.47Å; F149-L152 PolarHBondContact O-N 2.91Å; F149-L153 HydrophobicContact CE1-CB 4.46Å; F149-L153 HydrophobicContact CE1-CD2 4.48Å; F149-L153 VanDerWaalsContact O-CB 3.25Å; F149-L153 WeakPolarHBondContact O-CB 3.28Å; F149-L153 PolarHBondContact O-N 3.33Å
150T98.6Very high96.8Very high0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-63.9-46.9174.7-56.30000111.1V9 V137 H139 G146 S147 G148 L152 L153 M154V9-T150 WeakPolarHBondContact CG1-OG1 3.49Å; V137-T150 HydrophobicContact CG1-CG2 3.84Å; H139-T150 HydrophobicContact CB-CG2 4.13Å; H139-T150 WeakPolarHBondContact CB-OG1 3.29Å; G146-T150 WeakPolarHBondContact O-CB 3.5Å; G146-T150 PolarHBondContact O-OG1 2.86Å; S147-T150 PolarHBondContact O-N 3.06Å; G148-T150 VanDerWaalsContact C-N 3.35Å; T150-L152 PolarHBondContact O-N 3.33Å; T150-L153 PolarHBondContact O-N 3.25Å; T150-L153 VanDerWaalsContact O-N 3.14Å; T150-M154 HydrophobicContact CG2-CG 4.17Å; T150-M154 WeakPolarHBondContact O-CB 3.36Å; T150-M154 VanDerWaalsContact O-CG 3.25Å; T150-M154 WeakPolarHBondContact O-CG 3.43Å; T150-M154 PolarHBondContact O-N 3.31Å
151S98.1Very high96.9Very high0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-55.6-50174.7-67.10000112Y103 S147 G148 L153 M154 E155 T190 T193Y103-S151 WeakPolarHBondContact OH-CB 3.32Å; S147-S151 PolarHBondContact O-N 3.17Å; S147-S151 PolarHBondContact O-OG 3.32Å; G148-S151 PolarHBondContact O-N 3.24Å; S151-L153 VanDerWaalsContact C-N 3.3Å; S151-L153 PolarHBondContact O-N 2.99Å; S151-M154 PolarHBondContact O-N 3.41Å; S151-E155 WeakPolarHBondContact O-CG 3.34Å; S151-E155 PolarHBondContact O-N 3.3Å; S151-E155 VanDerWaalsContact O-N 3.11Å; S151-T190 WeakPolarHBondContact OG-CA 3.32Å; S151-T190 PolarHBondContact OG-OG1 3.35Å; S151-T193 WeakPolarHBondContact CB-OG1 3.43Å; S151-T193 PolarHBondContact OG-OG1 2.99Å
152L98.2Very high96.7Very high4 Ų425.1 Ų25.12%0.02115%0.146CC..Hα-helixtrans-58.8-41.9176.5176.765.4000112H107 K112 I115 G148 F149 T150 R156H107-L152 PolarHBondContact ND1-N 3.24Å; K112-L152 HydrophobicContact CG-CD2 4.46Å; I115-L152 HydrophobicContact CB-CD2 3.93Å; I115-L152 HydrophobicContact CD1-CD2 4.35Å; I115-L152 HydrophobicContact CD1-CG 4.22Å; I115-L152 HydrophobicContact CG1-CD2 4.05Å; I115-L152 HydrophobicContact CG1-CG 4.12Å; I115-L152 HydrophobicContact CG2-CD2 4.3Å; G148-L152 PolarHBondContact O-N 3.19Å; G148-L152 VanDerWaalsContact O-N 3.1Å; F149-L152 HydrophobicContact CD2-CD2 4.47Å; F149-L152 PolarHBondContact O-N 2.91Å; T150-L152 PolarHBondContact O-N 3.33Å; L152-R156 VanDerWaalsContact O-CG 3.29Å; L152-R156 WeakPolarHBondContact O-CG 3.21Å; L152-R156 PolarHBondContact O-N 3.43Å
153L98.4Very high96.8Very high0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-67-41.9179.4178.764000111.7I7 V9 I115 V118 L119 I122 F149 T150 S151 R156 L157I7-L153 HydrophobicContact CD1-CD2 4.34Å; I7-L153 HydrophobicContact CG2-CD2 3.83Å; V9-L153 HydrophobicContact CG2-CD2 4.24Å; I115-L153 HydrophobicContact CD1-CB 4.29Å; I115-L153 HydrophobicContact CD1-CD1 3.92Å; V118-L153 HydrophobicContact CG1-CD1 4.19Å; L119-L153 HydrophobicContact CD2-CD1 3.98Å; I122-L153 HydrophobicContact CD1-CD1 3.89Å; F149-L153 HydrophobicContact CE1-CB 4.46Å; F149-L153 HydrophobicContact CE1-CD2 4.48Å; F149-L153 VanDerWaalsContact O-CB 3.25Å; F149-L153 WeakPolarHBondContact O-CB 3.28Å; F149-L153 PolarHBondContact O-N 3.33Å; T150-L153 PolarHBondContact O-N 3.25Å; T150-L153 VanDerWaalsContact O-N 3.14Å; S151-L153 VanDerWaalsContact C-N 3.3Å; S151-L153 PolarHBondContact O-N 2.99Å; L153-R156 PolarHBondContact O-N 3.23Å; L153-L157 HydrophobicContact CD1-CD1 4.22Å; L153-L157 HydrophobicContact CD1-CG 4.04Å; L153-L157 HydrophobicContact CD2-CD1 4.41Å; L153-L157 HydrophobicContact CG-CD1 3.91Å; L153-L157 HydrophobicContact CG-CG 4.16Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 2.77Å
154M98.2Very high96.8Very high0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-65.2-38.9-179.2-73.2-68.1-79.400112.2V137 T150 S151 S158 K166 E168 T194 H197V137-M154 HydrophobicContact CG2-SD 3.93Å; T150-M154 HydrophobicContact CG2-CG 4.17Å; T150-M154 WeakPolarHBondContact O-CB 3.36Å; T150-M154 VanDerWaalsContact O-CG 3.25Å; T150-M154 WeakPolarHBondContact O-CG 3.43Å; T150-M154 PolarHBondContact O-N 3.31Å; S151-M154 PolarHBondContact O-N 3.41Å; M154-S158 WeakPolarHBondContact O-CB 3.31Å; M154-S158 PolarHBondContact O-N 3.1Å; M154-S158 PolarHBondContact O-OG 2.95Å; M154-K166 HydrophobicContact CE-CB 3.92Å; M154-K166 HydrophobicContact CE-CD 4.48Å; M154-K166 HydrophobicContact SD-CB 4.41Å; M154-E168 HydrophobicContact CE-CG 4.08Å; M154-T194 HydrophobicContact CB-CG2 4.27Å; M154-T194 HydrophobicContact CG-CG2 4.21Å; M154-H197 HydrophobicContact CB-CB 3.98Å; M154-H197 HydrophobicContact CE-CB 4.46Å; M154-H197 WeakPolarHBondContact CE-O 3.26Å
155E97.3Very high96.8Very high52 Ų5238 Ų3824%0.24320%0.197CC..Hα-helixtrans-57.1-50.7170.2-72.9171-164.800111.1H107 S151 S158 V159 H197H107-E155 IonicContact CE1-OE1 3.97Å; H107-E155 PolarHBondContact CE1-OE1 3.49Å; H107-E155 VanDerWaalsContact CE1-OE1 3.24Å; H107-E155 IonicContact CE1-OE2 3.86Å; H107-E155 IonicContact NE2-OE1 3.6Å; S151-E155 WeakPolarHBondContact O-CG 3.34Å; S151-E155 PolarHBondContact O-N 3.3Å; S151-E155 VanDerWaalsContact O-N 3.11Å; E155-S158 PolarHBondContact O-N 2.94Å; E155-V159 WeakPolarHBondContact O-CG2 3.36Å; E155-V159 PolarHBondContact O-N 3.18Å; E155-V159 VanDerWaalsContact O-N 3.1Å; E155-H197 WeakPolarHBondContact CG-NE2 3.29Å
156R97.9Very high96.8Very high111 Ų11137.7 Ų37.742%0.41919%0.194SC..Hα-helixtrans-67-41-178.3-64.3-65.8178.5-146.1-7112.6I115 L119 L152 L153 S158 V159 D160I115-R156 HydrophobicContact CD1-CG 4.39Å; I115-R156 HydrophobicContact CG1-CG 4.11Å; L119-R156 HydrophobicContact CD1-CB 3.8Å; L119-R156 HydrophobicContact CD1-CG 4.04Å; L119-R156 HydrophobicContact CD2-CB 3.92Å; L119-R156 HydrophobicContact CG-CB 4.43Å; L152-R156 VanDerWaalsContact O-CG 3.29Å; L152-R156 WeakPolarHBondContact O-CG 3.21Å; L152-R156 PolarHBondContact O-N 3.43Å; L153-R156 PolarHBondContact O-N 3.23Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 2.9Å; R156-V159 PolarHBondContact O-N 2.83Å; R156-D160 PolarHBondContact O-N 2.74Å
157L97.7Very high96.7Very high0 Ų037.9 Ų37.90%020%0.195CC..Hα-helixtrans-63.1-35174.8-72.5178000111.7I7 L119 I122 F135 L153 Y161 K166I7-L157 HydrophobicContact CD1-CD1 3.83Å; L119-L157 HydrophobicContact CD2-CD2 4.35Å; I122-L157 HydrophobicContact CD1-CD2 4.31Å; I122-L157 HydrophobicContact CG2-CD2 4.2Å; F135-L157 HydrophobicContact CD2-CD1 4.32Å; F135-L157 HydrophobicContact CE1-CD2 4.31Å; F135-L157 HydrophobicContact CE2-CD2 4.11Å; F135-L157 HydrophobicContact CG-CD1 4.29Å; F135-L157 HydrophobicContact CZ-CD2 4Å; L153-L157 HydrophobicContact CD1-CD1 4.22Å; L153-L157 HydrophobicContact CD1-CG 4.04Å; L153-L157 HydrophobicContact CD2-CD1 4.41Å; L153-L157 HydrophobicContact CG-CD1 3.91Å; L153-L157 HydrophobicContact CG-CG 4.16Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 2.77Å; L157-Y161 HydrophobicContact CD2-CD2 3.88Å; L157-Y161 HydrophobicContact CD2-CE2 4.2Å; L157-Y161 CarbonylContact O-C 3.51Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.46Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.34Å; L157-Y161 PolarHBondContact O-N 2.82Å; L157-K166 HydrophobicContact CB-CD 4.4Å
158S96.9Very high96.7Very high25 Ų2538 Ų3818%0.17520%0.195CC..Hα-helixtrans-69.3-33.9175.9-62.80000112.3M154 E155 R156 G162 K166 H197M154-S158 WeakPolarHBondContact O-CB 3.31Å; M154-S158 PolarHBondContact O-N 3.1Å; M154-S158 PolarHBondContact O-OG 2.95Å; E155-S158 PolarHBondContact O-N 2.94Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 2.9Å; S158-G162 WeakPolarHBondContact O-CA 3.42Å; S158-G162 PolarHBondContact O-N 3.18Å; S158-G162 VanDerWaalsContact O-N 3.12Å; S158-K166 WeakPolarHBondContact OG-CE 3.4Å; S158-H197 WeakPolarHBondContact OG-CB 3.42Å; S158-H197 PolarHBondContact OG-ND1 2.96Å
159V97.3Very high96.7Very high108 Ų10838.3 Ų38.366%0.65520%0.197SC*.Hα-helixtrans-68.1-50.9173.1174.20000111.4E155 R156E155-V159 WeakPolarHBondContact O-CG2 3.36Å; E155-V159 PolarHBondContact O-N 3.18Å; E155-V159 VanDerWaalsContact O-N 3.1Å; R156-V159 PolarHBondContact O-N 2.83Å
160D96.6Very high96.5Very high96 Ų9638.3 Ų38.351%0.51320%0.197SC..Hα-helixtrans-79.5-32-173-70.4-12.1000112.8R156R156-D160 PolarHBondContact O-N 2.74Å
161Y96.4Very high96.4Very high42 Ų4238.7 Ų38.717%0.16520%0.199CC..Hα-helixtrans-130.836.7-172-58.2-80.8000113.1I122 R123 A126 F135 L157 K163 K164I122-Y161 HydrophobicContact CG2-CE2 4.45Å; R123-Y161 WeakPolarHBondContact CA-OH 3.39Å; A126-Y161 HydrophobicContact CB-CE1 4.01Å; F135-Y161 AromaticContact CE2-CD2 3.99Å; F135-Y161 HydrophobicContact CE2-CD2 3.99Å; F135-Y161 AromaticContact CE2-CG 3.86Å; F135-Y161 HydrophobicContact CE2-CG 3.86Å; F135-Y161 HydrophobicContact CZ-CD1 4.24Å; F135-Y161 AromaticContact CZ-CD2 3.73Å; F135-Y161 HydrophobicContact CZ-CD2 3.73Å; F135-Y161 HydrophobicContact CZ-CE2 4.09Å; F135-Y161 AromaticContact CZ-CG 3.82Å; F135-Y161 HydrophobicContact CZ-CG 3.82Å; L157-Y161 HydrophobicContact CD2-CD2 3.88Å; L157-Y161 HydrophobicContact CD2-CE2 4.2Å; L157-Y161 CarbonylContact O-C 3.51Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.46Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.34Å; L157-Y161 PolarHBondContact O-N 2.82Å; Y161-K163 PolarHBondContact O-N 3.24Å; Y161-K164 HydrophobicContact CD1-CG 4.42Å; Y161-K164 WeakPolarHBondContact O-CB 3.3Å; Y161-K164 PolarHBondContact O-N 3Å
162G92.3Very high96.1Very high54 Ų5438.9 Ų38.956%0.55720%0.199SC*.THydrogen-bonded Turntrans-56.2-16-171.200000117.9S158S158-G162 WeakPolarHBondContact O-CA 3.42Å; S158-G162 PolarHBondContact O-N 3.18Å; S158-G162 VanDerWaalsContact O-N 3.12Å
163K92.4Very high95.6Very high209 Ų20939.1 Ų39.191%0.90920%0.201SC*.THydrogen-bonded Turntrans-93.4-3.1174.5-65.1-173.5179.3-178.60114.4Y161Y161-K163 PolarHBondContact O-N 3.24Å
164K94.8Very high94.7Very high72 Ų7239.1 Ų39.131%0.31320%0.202SC..SBendtrans-96.7138.4-175.9-56.8-56.4-172.9176.60109.6L132 F135 Y161 K166L132-K164 WeakPolarHBondContact O-CD 3.29Å; L132-K164 WeakPolarHBondContact O-CE 3.47Å; L132-K164 PolarHBondContact O-NZ 3.16Å; F135-K164 HydrophobicContact CE2-CB 4.28Å; Y161-K164 HydrophobicContact CD1-CG 4.42Å; Y161-K164 WeakPolarHBondContact O-CB 3.3Å; Y161-K164 PolarHBondContact O-N 3Å; K164-K166 PolarHBondContact O-NZ 3.47Å
165S94.4Very high93.3Very high9 Ų942.7 Ų42.76%0.06323%0.225CC..EExtended strand (participates in β ladder)trans-69.4143.5179.7-61.10000110.8Q133 G134 F135 D199Q133-S165 PolarHBondContact O-N 3.04Å; G134-S165 CarbonylContact C-O 3.42Å; G134-S165 WeakPolarHBondContact CA-O 3.42Å; F135-S165 PolarHBondContact N-O 3.12Å; S165-D199 VanDerWaalsContact CA-OD2 3.25Å; S165-D199 WeakPolarHBondContact CA-OD2 3.05Å
166K96.5Very high91.8Very high9 Ų945.9 Ų45.94%0.03924%0.24CC..EExtended strand (participates in β ladder)trans-129.7111.9179.6-63.4157-58.8-52.50107.2F135 M154 L157 S158 K164 H197 D199F135-K166 HydrophobicContact CD2-CG 4.06Å; M154-K166 HydrophobicContact CE-CB 3.92Å; M154-K166 HydrophobicContact CE-CD 4.48Å; M154-K166 HydrophobicContact SD-CB 4.41Å; L157-K166 HydrophobicContact CB-CD 4.4Å; S158-K166 WeakPolarHBondContact OG-CE 3.4Å; K164-K166 PolarHBondContact O-NZ 3.47Å; K166-H197 WeakPolarHBondContact CD-O 3.43Å; K166-H197 WeakPolarHBondContact CE-O 3.2Å; K166-D199 PolarHBondContact N-OD2 3.48Å; K166-D199 IonicContact NZ-OD2 3.74Å; K166-D199 PolarHBondContact NZ-OD2 3.48Å; K166-D199 WeakPolarHBondContact O-CB 3.36Å; K166-D199 PolarHBondContact O-N 3.03Å
167L95.6Very high90.5Very high4 Ų441.9 Ų41.92%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-109.3138.8177.3-72.4131.8000109.5F135 L136 V137 C200 F202 L252 F255F135-L167 PolarHBondContact O-N 3.3Å; L136-L167 CarbonylContact C-O 3.5Å; L136-L167 WeakPolarHBondContact CA-O 3.46Å; L136-L167 HydrophobicContact CD2-CB 3.89Å; L136-L167 HydrophobicContact CD2-CD1 3.95Å; V137-L167 PolarHBondContact N-O 3.47Å; L167-C200 CarbonylContact C-O 3.53Å; L167-C200 VanDerWaalsContact CA-O 3.23Å; L167-C200 WeakPolarHBondContact CA-O 3.48Å; L167-C200 HydrophobicContact CD2-CB 3.52Å; L167-C200 HydrophobicContact CG-CB 4.41Å; L167-F202 HydrophobicContact CD2-CE2 3.69Å; L167-F202 HydrophobicContact CD2-CZ 4.15Å; L167-L252 HydrophobicContact CD1-CB 3.83Å; L167-L252 HydrophobicContact CD1-CD1 4.25Å; L167-L252 HydrophobicContact CD1-CD2 3.46Å; L167-L252 VanDerWaalsContact CD1-CD2 3.46Å; L167-L252 HydrophobicContact CD1-CG 4.02Å; L167-F255 HydrophobicContact CD2-CB 4.17Å
168E97.1Very high89.5Confident2 Ų243.8 Ų43.81%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-109.7144.3-180-66173.2122.700111.4V137 H139 M154 S198 C200 A201 F202V137-E168 HydrophobicContact CB-CG 4.29Å; V137-E168 CarbonylContact O-C 3.53Å; V137-E168 WeakPolarHBondContact O-CA 3.25Å; H139-E168 IonicContact NE2-OE1 2.62Å; M154-E168 HydrophobicContact CE-CG 4.08Å; E168-S198 WeakPolarHBondContact OE2-CB 3.45Å; E168-S198 PolarHBondContact OE2-OG 2.87Å; E168-C200 PolarHBondContact N-O 2.84Å; E168-A201 HydrophobicContact CB-CB 3.92Å; E168-F202 PolarHBondContact O-N 3.09Å
169F96.7Very high88.5Confident7 Ų748.1 Ų48.13%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-116.895.2164.4-68.7-83.7000107L136 V137 F138 H139 F202 V235 I238L136-F169 HydrophobicContact CB-CE2 4.47Å; L136-F169 HydrophobicContact CD2-CE2 4.32Å; V137-F169 PolarHBondContact O-N 3.27Å; F138-F169 HydrophobicContact CD1-CB 3.49Å; F138-F169 VanDerWaalsContact CD1-CB 3.49Å; F138-F169 AromaticContact CD1-CD2 3.81Å; F138-F169 HydrophobicContact CD1-CD2 3.81Å; F138-F169 AromaticContact CD1-CG 3.84Å; F138-F169 HydrophobicContact CD1-CG 3.84Å; F138-F169 HydrophobicContact CD2-CD2 4.5Å; F138-F169 HydrophobicContact CE1-CB 3.71Å; F138-F169 HydrophobicContact CE1-CD1 4.31Å; F138-F169 AromaticContact CE1-CD2 3.25Å; F138-F169 HydrophobicContact CE1-CD2 3.25Å; F138-F169 AromaticContact CE1-CE2 3.88Å; F138-F169 HydrophobicContact CE1-CE2 3.88Å; F138-F169 AromaticContact CE1-CG 3.49Å; F138-F169 HydrophobicContact CE1-CG 3.49Å; F138-F169 VanDerWaalsContact CE1-CG 3.49Å; F138-F169 HydrophobicContact CE2-CD2 4.04Å; F138-F169 HydrophobicContact CE2-CE2 4.44Å; F138-F169 HydrophobicContact CG-CB 4.23Å; F138-F169 HydrophobicContact CG-CD2 4.4Å; F138-F169 AromaticContact CZ-CD2 3.38Å; F138-F169 HydrophobicContact CZ-CD2 3.38Å; F138-F169 AromaticContact CZ-CE2 3.67Å; F138-F169 HydrophobicContact CZ-CE2 3.67Å; F138-F169 HydrophobicContact CZ-CG 4.12Å; H139-F169 PolarHBondContact N-O 3.37Å; F169-F202 HydrophobicContact CD1-CB 3.93Å; F169-F202 AromaticContact CD1-CD2 3.97Å; F169-F202 HydrophobicContact CD1-CD2 3.97Å; F169-F202 HydrophobicContact CD1-CG 4.33Å; F169-F202 HydrophobicContact CE1-CB 4.17Å; F169-F202 AromaticContact CE1-CD2 3.53Å; F169-F202 HydrophobicContact CE1-CD2 3.53Å; F169-F202 HydrophobicContact CE1-CE2 4.24Å; F169-F202 HydrophobicContact CE1-CG 4.09Å; F169-F202 HydrophobicContact CE2-CD2 4.47Å; F169-F202 AromaticContact CZ-CD2 3.83Å; F169-F202 HydrophobicContact CZ-CD2 3.83Å; F169-F202 HydrophobicContact CZ-CE2 4.17Å; F169-V235 HydrophobicContact CD1-CG2 3.87Å; F169-V235 HydrophobicContact CE1-CB 4.46Å; F169-V235 HydrophobicContact CE1-CG1 4.31Å; F169-V235 HydrophobicContact CE1-CG2 3.96Å; F169-V235 HydrophobicContact CE2-CG1 4.37Å; F169-V235 HydrophobicContact CG-CG2 4.41Å; F169-V235 HydrophobicContact CZ-CG1 4.12Å; F169-I238 HydrophobicContact CE1-CD1 3.79Å; F169-I238 HydrophobicContact CE1-CG2 4.46Å; F169-I238 HydrophobicContact CZ-CD1 4.49Å; F169-I238 HydrophobicContact CZ-CG2 4.13Å
170S95.7Very high88Confident0 Ų043.3 Ų43.30%024%0.238CC..EExtended strand (participates in β ladder)trans-104.6119.8-167.6-48.80000110.5H139 F141 Y172 F202 M203 V204H139-S170 PolarHBondContact NE2-OG 3.46Å; H139-S170 WeakPolarHBondContact O-CA 3.47Å; F141-S170 VanDerWaalsContact CE1-CB 3.41Å; F141-S170 VanDerWaalsContact CZ-CB 3.43Å; S170-Y172 PolarHBondContact O-N 3.43Å; S170-F202 PolarHBondContact N-O 3.25Å; S170-M203 WeakPolarHBondContact O-CA 3.37Å; S170-V204 PolarHBondContact O-N 3.1Å
171I94.9Very high87.8Confident8 Ų843.8 Ų43.84%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-80.9109.5178-53.4-48.5000109.6I16 H139 F141 V204 N206 I231I16-I171 HydrophobicContact CD1-CD1 3.45Å; I16-I171 VanDerWaalsContact CD1-CD1 3.45Å; I16-I171 HydrophobicContact CD1-CG1 3.48Å; I16-I171 VanDerWaalsContact CD1-CG1 3.48Å; H139-I171 PolarHBondContact O-N 2.68Å; F141-I171 PolarHBondContact N-O 2.83Å; I171-V204 CarbonylContact C-O 3.49Å; I171-V204 WeakPolarHBondContact CA-O 3.35Å; I171-V204 HydrophobicContact CD1-CB 3.75Å; I171-V204 HydrophobicContact CD1-CG1 4.11Å; I171-V204 HydrophobicContact CD1-CG2 4.36Å; I171-N206 VanDerWaalsContact CG2-ND2 3.29Å; I171-N206 WeakPolarHBondContact CG2-ND2 3.43Å; I171-I231 HydrophobicContact CD1-CD1 4.21Å
172Y92.3Very high87.7Confident4 Ų442.8 Ų42.82%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-76.3134.2177.5179.3-80.8000109.9F141 S170 M203 V204 D205 N206 A387 L391F141-Y172 HydrophobicContact CD2-CD2 4.32Å; F141-Y172 HydrophobicContact CE2-CD2 4.46Å; S170-Y172 PolarHBondContact O-N 3.43Å; Y172-M203 HydrophobicContact CD2-SD 4.21Å; Y172-V204 PolarHBondContact N-O 2.82Å; Y172-D205 HydrophobicContact CD1-CB 4.17Å; Y172-N206 PolarHBondContact O-N 2.84Å; Y172-A387 HydrophobicContact CE2-CB 4.06Å; Y172-A387 PolarHBondContact OH-O 3.1Å; Y172-L391 HydrophobicContact CD2-CD1 3.98Å; Y172-L391 HydrophobicContact CE2-CD1 3.32Å; Y172-L391 HydrophobicContact CE2-CD2 4.18Å; Y172-L391 HydrophobicContact CE2-CG 3.55Å; Y172-L391 WeakPolarHBondContact OH-CG 3.34Å
173P87.6Confident87.8Confident9 Ų941 Ų416%0.05822%0.22CC..  trans-73.9140-172.630.6-36000112.3E183 L391P173-E183 HydrophobicContact CB-CB 4.07Å; P173-E183 WeakPolarHBondContact CB-OE2 3.33Å; P173-E183 HydrophobicContact CG-CB 4.5Å; P173-L391 HydrophobicContact CG-CD2 3.85Å
174A79.3Confident88Confident1 Ų131.7 Ų31.71%0.00818%0.181CC..  trans-124.6127.517900000110.3Q176 V177 S178 N206 E207A174-Q176 PolarHBondContact O-N 3.25Å; A174-V177 HydrophobicContact CB-CG2 3.95Å; A174-V177 PolarHBondContact O-N 2.86Å; A174-V177 VanDerWaalsContact O-N 3.11Å; A174-S178 WeakPolarHBondContact O-CA 3.46Å; A174-S178 WeakPolarHBondContact O-CB 3.25Å; A174-S178 PolarHBondContact O-N 2.76Å; A174-N206 HydrophobicContact CB-CB 3.65Å; A174-E207 HydrophobicContact CB-CB 3.63Å; A174-E207 VanDerWaalsContact CB-N 3.3Å
175P69.6Low88.1Confident75 Ų7528.3 Ų28.349%0.48717%0.166SC..THydrogen-bonded Turntrans-54.1-31.4-175.9-26.234.1000115V177P175-V177 VanDerWaalsContact C-N 3.35Å
176Q66.5Low88.3Confident118 Ų11827.9 Ų27.955%0.55116%0.163SC*.THydrogen-bonded Turntrans-72.8-26.5-176.1-62.585.2-13.400113.2A174 E207A174-Q176 PolarHBondContact O-N 3.25Å; Q176-E207 PolarHBondContact NE2-OE1 3.02Å; Q176-E207 VanDerWaalsContact OE1-CD 3.27Å; Q176-E207 PolarHBondContact OE1-OE2 3.08Å
177V70.2Confident88.3Confident27 Ų2727.4 Ų27.416%0.16416%0.161CC..THydrogen-bonded Turntrans-120.34.1179.3-59.70000112.7A174 P175 N206 Y210 Y224A174-V177 HydrophobicContact CB-CG2 3.95Å; A174-V177 PolarHBondContact O-N 2.86Å; A174-V177 VanDerWaalsContact O-N 3.11Å; P175-V177 VanDerWaalsContact C-N 3.35Å; V177-N206 HydrophobicContact CG2-CB 3.54Å; V177-Y210 HydrophobicContact CG1-CD2 3.98Å; V177-Y210 HydrophobicContact CG1-CE2 4.31Å; V177-Y224 PolarHBondContact O-OH 2.72Å
178S75.8Confident88.4Confident41 Ų4127.2 Ų27.229%0.28716%0.16SC..  trans-69.6128.8178176.50000109.7A174 A180 E183A174-S178 WeakPolarHBondContact O-CA 3.46Å; A174-S178 WeakPolarHBondContact O-CB 3.25Å; A174-S178 PolarHBondContact O-N 2.76Å; S178-A180 PolarHBondContact OG-O 2.97Å; S178-E183 VanDerWaalsContact CB-OE2 3.31Å; S178-E183 WeakPolarHBondContact CB-OE2 3.15Å; S178-E183 PolarHBondContact OG-OE1 3.24Å; S178-E183 PolarHBondContact OG-OE2 3.42Å
179T75.9Confident88.4Confident115 Ų11527.3 Ų27.371%0.70616%0.16SC*.  trans-100.7-10.7175.752.30000112.1E183T179-E183 PolarHBondContact N-OE1 3.22Å
180A87.2Confident88.5Confident8 Ų827 Ų277%0.06616%0.159CC..  trans-125.1129.1-175.200000112.8N101 S178 V182 E183N101-A180 HydrophobicContact CB-CB 3.77Å; S178-A180 PolarHBondContact OG-O 2.97Å; A180-V182 PolarHBondContact O-N 3.36Å; A180-E183 HydrophobicContact CB-CG 3.72Å; A180-E183 PolarHBondContact N-OE1 2.7Å; A180-E183 VanDerWaalsContact O-CG 3.23Å; A180-E183 WeakPolarHBondContact O-CG 3.31Å; A180-E183 PolarHBondContact O-N 2.9Å
181V92.4Very high88.5Confident105 Ų10527 Ų2764%0.63616%0.159SC*.THydrogen-bonded Turntrans-67.1-29.3178.5-179.80000111.7E183 P184 F404V181-E183 VanDerWaalsContact C-N 3.35Å; V181-P184 WeakPolarHBondContact O-CD 3.44Å; V181-F404 HydrophobicContact CG1-CE2 3.86Å; V181-F404 HydrophobicContact CG1-CZ 4.14Å
182V95.4Very high88.6Confident21 Ų2129 Ų2913%0.12717%0.168CC..THydrogen-bonded Turntrans-90.99.2-174.5-60.30000113.8N101 A180 P184 Y185 N186 F404 Y408N101-V182 HydrophobicContact CB-CG2 4.35Å; N101-V182 WeakPolarHBondContact O-CG2 3.45Å; A180-V182 PolarHBondContact O-N 3.36Å; V182-P184 VanDerWaalsContact C-N 3.3Å; V182-Y185 HydrophobicContact CB-CD2 4.44Å; V182-Y185 WeakPolarHBondContact O-CB 3.41Å; V182-Y185 PolarHBondContact O-N 3.16Å; V182-N186 PolarHBondContact O-N 3.44Å; V182-F404 HydrophobicContact CG1-CB 3.67Å; V182-F404 HydrophobicContact CG1-CD1 4.21Å; V182-F404 HydrophobicContact CG1-CD2 3.95Å; V182-F404 HydrophobicContact CG1-CG 3.68Å; V182-Y408 WeakPolarHBondContact CB-OH 3.49Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.35Å
183E94.4Very high88.8Confident18 Ų1830 Ų308%0.08417%0.174CC..Hα-helixtrans-53.4-38177.5-70.2178.1-168.100114P173 S178 T179 A180 V181 Y185 N186 S187P173-E183 HydrophobicContact CB-CB 4.07Å; P173-E183 WeakPolarHBondContact CB-OE2 3.33Å; P173-E183 HydrophobicContact CG-CB 4.5Å; S178-E183 VanDerWaalsContact CB-OE2 3.31Å; S178-E183 WeakPolarHBondContact CB-OE2 3.15Å; S178-E183 PolarHBondContact OG-OE1 3.24Å; S178-E183 PolarHBondContact OG-OE2 3.42Å; T179-E183 PolarHBondContact N-OE1 3.22Å; A180-E183 HydrophobicContact CB-CG 3.72Å; A180-E183 PolarHBondContact N-OE1 2.7Å; A180-E183 VanDerWaalsContact O-CG 3.23Å; A180-E183 WeakPolarHBondContact O-CG 3.31Å; A180-E183 PolarHBondContact O-N 2.9Å; V181-E183 VanDerWaalsContact C-N 3.35Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; E183-Y185 PolarHBondContact O-N 2.86Å; E183-N186 PolarHBondContact O-N 2.9Å; E183-S187 WeakPolarHBondContact O-CB 3.41Å; E183-S187 PolarHBondContact O-N 2.85Å; E183-S187 PolarHBondContact O-OG 3.42Å
184P95.9Very high89.3Confident13 Ų1329.7 Ų29.78%0.08417%0.173CC..Hα-helixtrans-60.3-38175.3-22.732.6000113V181 V182 S187 I188 K394 M398V181-P184 WeakPolarHBondContact O-CD 3.44Å; V182-P184 VanDerWaalsContact C-N 3.3Å; P184-S187 PolarHBondContact O-N 3.5Å; P184-I188 VanDerWaalsContact O-CG1 3.29Å; P184-I188 WeakPolarHBondContact O-CG1 3.5Å; P184-I188 PolarHBondContact O-N 3.05Å; P184-I188 VanDerWaalsContact O-N 3.13Å; P184-K394 HydrophobicContact CB-CB 3.95Å; P184-K394 HydrophobicContact CG-CB 3.76Å; P184-K394 HydrophobicContact CG-CD 4.14Å; P184-M398 HydrophobicContact CB-CE 3.58Å; P184-M398 HydrophobicContact CG-CE 3.62Å
185Y97.6Very high90Very high0 Ų030 Ų300%017%0.174CC..Hα-helixtrans-64.2-49.6175.3-71.9-22000112V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418V182-Y185 HydrophobicContact CB-CD2 4.44Å; V182-Y185 WeakPolarHBondContact O-CB 3.41Å; V182-Y185 PolarHBondContact O-N 3.16Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; E183-Y185 PolarHBondContact O-N 2.86Å; Y185-S187 PolarHBondContact O-N 3.35Å; Y185-I188 PolarHBondContact O-N 3.46Å; Y185-L189 WeakPolarHBondContact O-CB 3.37Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.47Å; Y185-L189 PolarHBondContact O-N 2.94Å; Y185-F395 AromaticContact CD1-CD2 3.43Å; Y185-F395 HydrophobicContact CD1-CD2 3.43Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.43Å; Y185-F395 AromaticContact CD1-CE2 3.53Å; Y185-F395 HydrophobicContact CD1-CE2 3.53Å; Y185-F395 HydrophobicContact CD1-CG 4.19Å; Y185-F395 HydrophobicContact CD1-CZ 4.36Å; Y185-F395 AromaticContact CE1-CD2 3.88Å; Y185-F395 HydrophobicContact CE1-CD2 3.88Å; Y185-F395 AromaticContact CE1-CE2 3.93Å; Y185-F395 HydrophobicContact CE1-CE2 3.93Å; Y185-F395 HydrophobicContact CE1-CG 4.25Å; Y185-F395 HydrophobicContact CE1-CZ 4.35Å; Y185-M398 HydrophobicContact CD1-CE 3.97Å; Y185-M398 HydrophobicContact CD2-CE 4.45Å; Y185-M398 HydrophobicContact CE1-CB 4.03Å; Y185-M398 HydrophobicContact CE1-CE 3.98Å; Y185-M398 HydrophobicContact CE2-CB 4.47Å; Y185-M398 HydrophobicContact CE2-CE 4.46Å; Y185-M398 HydrophobicContact CG-CE 4.23Å; Y185-M398 WeakPolarHBondContact OH-CB 3.45Å; Y185-M398 PolarHBondContact OH-O 2.76Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.43Å; Y185-Y399 PolarHBondContact OH-N 2.91Å; Y185-A403 WeakPolarHBondContact CE2-O 3.29Å; Y185-A403 PolarHBondContact OH-O 3.45Å; Y185-A403 VanDerWaalsContact OH-O 3.13Å; Y185-F404 HydrophobicContact CE2-CB 4.35Å; Y185-V405 HydrophobicContact CE2-CG2 4.37Å; Y185-Y408 AromaticContact CD2-CE2 3.85Å; Y185-Y408 HydrophobicContact CD2-CE2 3.85Å; Y185-F418 HydrophobicContact CD1-CD1 4.29Å; Y185-F418 AromaticContact CD1-CE1 3.92Å; Y185-F418 HydrophobicContact CD1-CE1 3.92Å; Y185-F418 AromaticContact CD2-CE1 3.99Å; Y185-F418 HydrophobicContact CD2-CE1 3.99Å; Y185-F418 HydrophobicContact CE1-CD1 4.49Å; Y185-F418 HydrophobicContact CE1-CE1 4.31Å; Y185-F418 HydrophobicContact CE2-CE1 4.35Å; Y185-F418 AromaticContact CG-CE1 3.74Å; Y185-F418 HydrophobicContact CG-CE1 3.74Å
186N97.3Very high91.2Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-59.6-39179.5-65.6-15.5000111.7N101 Y103 F141 G142 V182 E183 T190 Y408N101-N186 PolarHBondContact O-ND2 3.36Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.17Å; Y103-N186 PolarHBondContact N-OD1 3.29Å; Y103-N186 VanDerWaalsContact N-OD1 3.13Å; F141-N186 CarbonylContact O-C 3.55Å; F141-N186 VanDerWaalsContact O-CB 3.26Å; F141-N186 WeakPolarHBondContact O-CB 3.46Å; G142-N186 PolarHBondContact O-ND2 2.77Å; V182-N186 PolarHBondContact O-N 3.44Å; E183-N186 PolarHBondContact O-N 2.9Å; N186-T190 WeakPolarHBondContact O-CB 3.41Å; N186-T190 WeakPolarHBondContact O-CG2 3.44Å; N186-T190 PolarHBondContact O-N 3.16Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.47Å; N186-Y408 PolarHBondContact OD1-OH 2.92Å
187S96.4Very high92.6Very high0 Ų030.9 Ų30.90%017%0.172CC..Hα-helixtrans-66.1-44.6-179.4-530000112.4F141 E183 P184 Y185 T190 T191F141-S187 WeakPolarHBondContact CB-OG 3.24Å; F141-S187 PolarHBondContact O-N 3.08Å; E183-S187 WeakPolarHBondContact O-CB 3.41Å; E183-S187 PolarHBondContact O-N 2.85Å; E183-S187 PolarHBondContact O-OG 3.42Å; P184-S187 PolarHBondContact O-N 3.5Å; Y185-S187 PolarHBondContact O-N 3.35Å; S187-T190 WeakPolarHBondContact O-CG2 3.29Å; S187-T191 VanDerWaalsContact O-CB 3.31Å; S187-T191 WeakPolarHBondContact O-CB 3.48Å; S187-T191 PolarHBondContact O-N 3.41Å; S187-T191 PolarHBondContact O-OG1 3.44Å
188I97.5Very high93.8Very high0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-68.1-45.6178.7-63.9-57000110.9P184 Y185 T190 T191 H192 L391 D392 F395 A421 M425P184-I188 VanDerWaalsContact O-CG1 3.29Å; P184-I188 WeakPolarHBondContact O-CG1 3.5Å; P184-I188 PolarHBondContact O-N 3.05Å; P184-I188 VanDerWaalsContact O-N 3.13Å; Y185-I188 PolarHBondContact O-N 3.46Å; I188-T190 PolarHBondContact O-N 3.42Å; I188-T191 PolarHBondContact O-N 2.96Å; I188-H192 WeakPolarHBondContact O-CB 3.38Å; I188-H192 PolarHBondContact O-N 2.96Å; I188-L391 HydrophobicContact CD1-CB 4.11Å; I188-D392 WeakPolarHBondContact CD1-OD1 3.42Å; I188-F395 HydrophobicContact CB-CD2 3.79Å; I188-F395 HydrophobicContact CB-CE2 4.05Å; I188-F395 HydrophobicContact CG1-CB 4.15Å; I188-F395 HydrophobicContact CG1-CD2 3.62Å; I188-F395 HydrophobicContact CG1-CE2 4.37Å; I188-F395 HydrophobicContact CG1-CG 4.13Å; I188-F395 HydrophobicContact CG2-CD2 4Å; I188-F395 HydrophobicContact CG2-CE2 3.92Å; I188-A421 HydrophobicContact CG2-CB 3.95Å; I188-M425 HydrophobicContact CD1-CE 4.31Å; I188-M425 HydrophobicContact CD1-CG 3.95Å; I188-M425 HydrophobicContact CG2-CG 3.92Å
189L98.1Very high94.7Very high3 Ų329.6 Ų29.62%0.01616%0.161CC..Hα-helixtrans-64-42.9-179.4-66.8171.1000112.7Y103 Y185 T193 Y408 M413 F418 A421Y103-L189 HydrophobicContact CD1-CB 3.94Å; Y103-L189 HydrophobicContact CD1-CD1 3.79Å; Y103-L189 HydrophobicContact CD1-CG 4.44Å; Y103-L189 HydrophobicContact CD2-CB 3.86Å; Y103-L189 HydrophobicContact CE1-CB 4.08Å; Y103-L189 HydrophobicContact CE2-CB 4Å; Y103-L189 HydrophobicContact CG-CB 3.85Å; Y103-L189 HydrophobicContact CG-CD1 3.93Å; Y185-L189 WeakPolarHBondContact O-CB 3.37Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.47Å; Y185-L189 PolarHBondContact O-N 2.94Å; L189-T193 PolarHBondContact O-N 2.96Å; L189-T193 PolarHBondContact O-OG1 3.46Å; L189-Y408 HydrophobicContact CD1-CD1 4.01Å; L189-Y408 HydrophobicContact CD1-CE1 3.94Å; L189-M413 HydrophobicContact CD1-CE 3.62Å; L189-M413 HydrophobicContact CD1-SD 3.99Å; L189-M413 HydrophobicContact CD2-CE 3.35Å; L189-M413 HydrophobicContact CG-CE 4.11Å; L189-F418 HydrophobicContact CD1-CE1 3.97Å; L189-F418 HydrophobicContact CD1-CZ 4.16Å; L189-F418 HydrophobicContact CD2-CD1 4.47Å; L189-A421 HydrophobicContact CD2-CB 3.88Å
190T97.8Very high95.6Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-69.6-41.3177.6-165.70000111.9F141 S147 S151 N186 S187 I188 H192 T193 T194F141-T190 HydrophobicContact CB-CG2 4.42Å; F141-T190 HydrophobicContact CD1-CG2 3.59Å; F141-T190 HydrophobicContact CE1-CG2 4.19Å; F141-T190 HydrophobicContact CG-CG2 4.31Å; S147-T190 PolarHBondContact O-OG1 3.27Å; S151-T190 WeakPolarHBondContact OG-CA 3.32Å; S151-T190 PolarHBondContact OG-OG1 3.35Å; N186-T190 WeakPolarHBondContact O-CB 3.41Å; N186-T190 WeakPolarHBondContact O-CG2 3.44Å; N186-T190 PolarHBondContact O-N 3.16Å; S187-T190 WeakPolarHBondContact O-CG2 3.29Å; I188-T190 PolarHBondContact O-N 3.42Å; T190-H192 PolarHBondContact O-N 3.44Å; T190-T193 PolarHBondContact O-N 3.35Å; T190-T193 PolarHBondContact O-OG1 2.97Å; T190-T193 VanDerWaalsContact O-OG1 3.1Å; T190-T194 WeakPolarHBondContact O-CB 3.28Å; T190-T194 WeakPolarHBondContact O-CG2 3.49Å; T190-T194 PolarHBondContact O-N 2.81Å; T190-T194 PolarHBondContact O-OG1 3.33Å
191T97.2Very high96Very high0 Ų023.8 Ų23.80%012%0.124CC..Hα-helixtrans-61.5-47.3178.6-55.20000110.7S187 I188 T193 T194 L195 F267 W388 M425S187-T191 VanDerWaalsContact O-CB 3.31Å; S187-T191 WeakPolarHBondContact O-CB 3.48Å; S187-T191 PolarHBondContact O-N 3.41Å; S187-T191 PolarHBondContact O-OG1 3.44Å; I188-T191 PolarHBondContact O-N 2.96Å; T191-T193 PolarHBondContact O-N 2.9Å; T191-T194 PolarHBondContact O-N 3.39Å; T191-L195 VanDerWaalsContact O-CB 3.31Å; T191-L195 WeakPolarHBondContact O-CB 3.38Å; T191-L195 PolarHBondContact O-N 3.46Å; T191-F267 HydrophobicContact CG2-CZ 4.11Å; T191-W388 HydrophobicContact CG2-CH2 3.56Å; T191-W388 HydrophobicContact CG2-CZ2 4.23Å; T191-W388 HydrophobicContact CG2-CZ3 3.85Å; T191-M425 HydrophobicContact CG2-CE 3.99Å; T191-M425 HydrophobicContact CG2-SD 3.55Å; T191-M425 VanDerWaalsContact CG2-SD 3.55Å
192H97.2Very high96.1Very high51 Ų5118.9 Ų18.924%0.23610%0.095CC..Hα-helixtrans-54.5-49.9176.8170.254.6000112.4I188 T190 A421 D424I188-H192 WeakPolarHBondContact O-CB 3.38Å; I188-H192 PolarHBondContact O-N 2.96Å; T190-H192 PolarHBondContact O-N 3.44Å; H192-A421 HydrophobicContact CB-CB 3.61Å; H192-D424 IonicContact CE1-OD2 2.78Å; H192-D424 IonicContact CG-OD2 3.78Å; H192-D424 WeakPolarHBondContact ND1-CB 3.12Å; H192-D424 IonicContact ND1-OD2 3.96Å; H192-D424 PolarHBondContact ND1-OD2 3.34Å
193T96.3Very high95.9Very high25 Ų2517.9 Ų17.915%0.1539%0.089CC..Hα-helixtrans-75.9-28.1-175.848.50000113.8Y103 S151 L189 T190 T191 H197Y103-T193 WeakPolarHBondContact OH-CG2 3.12Å; Y103-T193 PolarHBondContact OH-OG1 3.29Å; Y103-T193 VanDerWaalsContact OH-OG1 3.11Å; S151-T193 WeakPolarHBondContact CB-OG1 3.43Å; S151-T193 PolarHBondContact OG-OG1 2.99Å; L189-T193 PolarHBondContact O-N 2.96Å; L189-T193 PolarHBondContact O-OG1 3.46Å; T190-T193 PolarHBondContact O-N 3.35Å; T190-T193 PolarHBondContact O-OG1 2.97Å; T190-T193 VanDerWaalsContact O-OG1 3.1Å; T191-T193 PolarHBondContact O-N 2.9Å; T193-H197 PolarHBondContact O-CD2 3.03Å; T193-H197 VanDerWaalsContact O-CD2 3.28Å
194T97.1Very high95.8Very high3 Ų317.2 Ų17.22%0.0189%0.086CC..Hα-helixtrans-88.9-14.8178.2620000113.6M154 T190 T191 E196 H197 S198M154-T194 HydrophobicContact CB-CG2 4.27Å; M154-T194 HydrophobicContact CG-CG2 4.21Å; T190-T194 WeakPolarHBondContact O-CB 3.28Å; T190-T194 WeakPolarHBondContact O-CG2 3.49Å; T190-T194 PolarHBondContact O-N 2.81Å; T190-T194 PolarHBondContact O-OG1 3.33Å; T191-T194 PolarHBondContact O-N 3.39Å; T194-E196 VanDerWaalsContact C-N 3.29Å; T194-E196 PolarHBondContact O-N 2.92Å; T194-H197 CarbonylContact O-C 3.4Å; T194-H197 WeakPolarHBondContact O-CA 3.24Å; T194-H197 PolarHBondContact O-N 2.84Å; T194-S198 PolarHBondContact O-N 3.45Å
195L95Very high95.7Very high8 Ų816.7 Ų16.74%0.0428%0.082CC..THydrogen-bonded Turntrans-56.5-39.4-173.9-159.569.9000113.2T191 H197 R264 H266 F267 L428T191-L195 VanDerWaalsContact O-CB 3.31Å; T191-L195 WeakPolarHBondContact O-CB 3.38Å; T191-L195 PolarHBondContact O-N 3.46Å; L195-H197 VanDerWaalsContact C-N 3.31Å; L195-R264 HydrophobicContact CD2-CG 4.47Å; L195-R264 VanDerWaalsContact CD2-NH1 3.3Å; L195-H266 WeakPolarHBondContact CD1-NE2 3.3Å; L195-H266 PolarHBondContact O-CE1 2.57Å; L195-F267 HydrophobicContact CD1-CE2 3.69Å; L195-F267 HydrophobicContact CD1-CZ 3.64Å; L195-L428 HydrophobicContact CD1-CD2 4.33Å
196E94.2Very high95.2Very high167 Ų16717.6 Ų17.678%0.789%0.087SC*.THydrogen-bonded Turntrans-81.9-12.7178.2-60.4-168.1162.800113.5T194T194-E196 VanDerWaalsContact C-N 3.29Å; T194-E196 PolarHBondContact O-N 2.92Å
197H96.3Very high94.9Very high44 Ų4419.7 Ų19.720%0.20410%0.097CC..THydrogen-bonded Turntrans-110.3-7.8-172.3-62-34.1000113.2M154 E155 S158 K166 T193 T194 L195M154-H197 HydrophobicContact CB-CB 3.98Å; M154-H197 HydrophobicContact CE-CB 4.46Å; M154-H197 WeakPolarHBondContact CE-O 3.26Å; E155-H197 WeakPolarHBondContact CG-NE2 3.29Å; S158-H197 WeakPolarHBondContact OG-CB 3.42Å; S158-H197 PolarHBondContact OG-ND1 2.96Å; K166-H197 WeakPolarHBondContact CD-O 3.43Å; K166-H197 WeakPolarHBondContact CE-O 3.2Å; T193-H197 PolarHBondContact O-CD2 3.03Å; T193-H197 VanDerWaalsContact O-CD2 3.28Å; T194-H197 CarbonylContact O-C 3.4Å; T194-H197 WeakPolarHBondContact O-CA 3.24Å; T194-H197 PolarHBondContact O-N 2.84Å; L195-H197 VanDerWaalsContact C-N 3.31Å
198S95.6Very high94.7Very high8 Ų820 Ų206%0.05610%0.099CC..  trans-102.9137176.8-1670000110.8E168 T194 H266E168-S198 WeakPolarHBondContact OE2-CB 3.45Å; E168-S198 PolarHBondContact OE2-OG 2.87Å; T194-S198 PolarHBondContact O-N 3.45Å; S198-H266 PolarHBondContact O-CE1 3.29Å; S198-H266 PolarHBondContact O-ND1 2.9Å
199D94.6Very high94.5Very high33 Ų3320 Ų2018%0.17610%0.099CC..SBendtrans-88-27.9176.4-64-75.1000111.3S165 K166S165-D199 VanDerWaalsContact CA-OD2 3.25Å; S165-D199 WeakPolarHBondContact CA-OD2 3.05Å; K166-D199 PolarHBondContact N-OD2 3.48Å; K166-D199 IonicContact NZ-OD2 3.74Å; K166-D199 PolarHBondContact NZ-OD2 3.48Å; K166-D199 WeakPolarHBondContact O-CB 3.36Å; K166-D199 PolarHBondContact O-N 3.03Å
200C94.2Very high94.2Very high0 Ų022.2 Ų22.20%011%0.108CC..EExtended strand (participates in β ladder)trans-170129177.8172.90000110.7L167 E168 V260 H266 P268L167-C200 CarbonylContact C-O 3.53Å; L167-C200 VanDerWaalsContact CA-O 3.23Å; L167-C200 WeakPolarHBondContact CA-O 3.48Å; L167-C200 HydrophobicContact CD2-CB 3.52Å; L167-C200 HydrophobicContact CG-CB 4.41Å; E168-C200 PolarHBondContact N-O 2.84Å; C200-V260 HydrophobicContact CB-CG2 4Å; C200-H266 WeakPolarHBondContact CA-O 3.3Å; C200-P268 VanDerWaalsContact SG-CD 3.57Å; C200-P268 VanDerWaalsContact SG-CG 3.52Å
201A95.3Very high94Very high0 Ų024.8 Ų24.80%012%0.122CC..EExtended strand (participates in β ladder)trans-120.9115.8-175.900000111.7E168 M203 H266 F267 P268E168-A201 HydrophobicContact CB-CB 3.92Å; A201-M203 PolarHBondContact O-N 2.67Å; A201-H266 PolarHBondContact N-O 3.1Å; A201-F267 HydrophobicContact CB-CD1 3.66Å; A201-F267 HydrophobicContact CB-CE1 3.7Å; A201-F267 WeakPolarHBondContact O-CA 3.43Å; A201-P268 WeakPolarHBondContact O-CD 3.5Å
202F94.3Very high93.9Very high2 Ų224.8 Ų24.81%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-85.7107.4174.7-58.4-70.8000109.8L167 E168 F169 S170 I238 F255 L259 P268 L378L167-F202 HydrophobicContact CD2-CE2 3.69Å; L167-F202 HydrophobicContact CD2-CZ 4.15Å; E168-F202 PolarHBondContact O-N 3.09Å; F169-F202 HydrophobicContact CD1-CB 3.93Å; F169-F202 AromaticContact CD1-CD2 3.97Å; F169-F202 HydrophobicContact CD1-CD2 3.97Å; F169-F202 HydrophobicContact CD1-CG 4.33Å; F169-F202 HydrophobicContact CE1-CB 4.17Å; F169-F202 AromaticContact CE1-CD2 3.53Å; F169-F202 HydrophobicContact CE1-CD2 3.53Å; F169-F202 HydrophobicContact CE1-CE2 4.24Å; F169-F202 HydrophobicContact CE1-CG 4.09Å; F169-F202 HydrophobicContact CE2-CD2 4.47Å; F169-F202 AromaticContact CZ-CD2 3.83Å; F169-F202 HydrophobicContact CZ-CD2 3.83Å; F169-F202 HydrophobicContact CZ-CE2 4.17Å; S170-F202 PolarHBondContact N-O 3.25Å; F202-I238 HydrophobicContact CE2-CG2 4.06Å; F202-I238 HydrophobicContact CG-CD1 4.5Å; F202-I238 HydrophobicContact CZ-CG2 4.13Å; F202-F255 HydrophobicContact CZ-CD1 4.13Å; F202-F255 HydrophobicContact CZ-CE1 4.48Å; F202-L259 HydrophobicContact CE1-CD1 4.21Å; F202-L259 HydrophobicContact CZ-CD1 4.49Å; F202-P268 HydrophobicContact CD1-CB 4.14Å; F202-P268 HydrophobicContact CD1-CG 4.31Å; F202-P268 HydrophobicContact CE1-CB 4.02Å; F202-P268 HydrophobicContact CE1-CG 3.99Å; F202-L378 HydrophobicContact CD1-CD2 3.99Å; F202-L378 HydrophobicContact CE1-CD1 3.81Å; F202-L378 HydrophobicContact CE1-CD2 3.76Å; F202-L378 HydrophobicContact CE1-CG 4.28Å; F202-L378 HydrophobicContact CZ-CD1 4.09Å
203M92.6Very high93.7Very high0 Ų022.4 Ų22.40%011%0.111CC..EExtended strand (participates in β ladder)trans-78135.6174.5-68.6-159.7-66.600111.4F141 S170 Y172 A201 F267 V303 I384 W388F141-M203 HydrophobicContact CE2-CG 4.26Å; F141-M203 HydrophobicContact CE2-SD 3.86Å; F141-M203 HydrophobicContact CZ-CG 4.49Å; F141-M203 HydrophobicContact CZ-SD 4.42Å; S170-M203 WeakPolarHBondContact O-CA 3.37Å; Y172-M203 HydrophobicContact CD2-SD 4.21Å; A201-M203 PolarHBondContact O-N 2.67Å; M203-F267 HydrophobicContact CE-CB 4.32Å; M203-F267 HydrophobicContact CG-CD1 4.19Å; M203-F267 HydrophobicContact SD-CD1 4.42Å; M203-V303 HydrophobicContact CB-CG2 3.81Å; M203-V303 VanDerWaalsContact O-CG2 3.3Å; M203-V303 WeakPolarHBondContact O-CG2 3.47Å; M203-I384 HydrophobicContact CE-CD1 3.23Å; M203-I384 HydrophobicContact CE-CG1 3.36Å; M203-W388 HydrophobicContact CE-CZ2 3.78Å; M203-W388 HydrophobicContact SD-CH2 3.66Å; M203-W388 HydrophobicContact SD-CZ2 3.46Å; M203-W388 WeakPolarHBondContact SD-CZ2 3.45Å; M203-W388 HydrophobicContact SD-CZ3 4.45Å
204V92.3Very high93.5Very high5 Ų528.1 Ų28.13%0.0313%0.129CC..EExtended strand (participates in β ladder)trans-127.1106.6176.2-177.50000108.5S170 I171 Y172 N206 I209 I231S170-V204 PolarHBondContact O-N 3.1Å; I171-V204 CarbonylContact C-O 3.49Å; I171-V204 WeakPolarHBondContact CA-O 3.35Å; I171-V204 HydrophobicContact CD1-CB 3.75Å; I171-V204 HydrophobicContact CD1-CG1 4.11Å; I171-V204 HydrophobicContact CD1-CG2 4.36Å; Y172-V204 PolarHBondContact N-O 2.82Å; V204-N206 PolarHBondContact O-N 2.93Å; V204-I209 HydrophobicContact CG1-CD1 3.94Å; V204-I209 HydrophobicContact CG1-CG1 3.73Å; V204-I231 HydrophobicContact CG1-CD1 3.88Å; V204-I231 HydrophobicContact CG1-CG1 3.87Å
205D92.5Very high93.4Very high1 Ų133.2 Ų33.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-81.2115.1178.6-176-8.3000110.4Y172 E207 A208 I209 M302 V303 K304Y172-D205 HydrophobicContact CD1-CB 4.17Å; D205-E207 PolarHBondContact O-N 3.24Å; D205-E207 VanDerWaalsContact O-N 3.14Å; D205-E207 VanDerWaalsContact OD1-CB 3.31Å; D205-E207 WeakPolarHBondContact OD1-CB 3.39Å; D205-E207 PolarHBondContact OD1-N 3.24Å; D205-A208 HydrophobicContact CB-CB 4Å; D205-A208 WeakPolarHBondContact O-CB 3.45Å; D205-A208 PolarHBondContact O-N 3.24Å; D205-I209 WeakPolarHBondContact O-CG1 3.24Å; D205-I209 PolarHBondContact O-N 3.17Å; D205-I209 VanDerWaalsContact O-N 3.1Å; D205-M302 WeakPolarHBondContact CA-O 3.47Å; D205-M302 VanDerWaalsContact CB-O 3.24Å; D205-M302 WeakPolarHBondContact CB-O 3.23Å; D205-M302 PolarHBondContact N-O 3.16Å; D205-V303 HydrophobicContact CB-CB 4.33Å; D205-V303 HydrophobicContact CB-CG1 4.35Å; D205-V303 HydrophobicContact CB-CG2 4.4Å; D205-K304 PolarHBondContact OD2-N 3.27Å
206N88.6Confident93.2Very high19 Ų1934.5 Ų34.510%0.10216%0.155CC..Hα-helixtrans-54.1-33176.6-88.7-28000113.1I171 Y172 A174 V177 V204 Y210I171-N206 VanDerWaalsContact CG2-ND2 3.29Å; I171-N206 WeakPolarHBondContact CG2-ND2 3.43Å; Y172-N206 PolarHBondContact O-N 2.84Å; A174-N206 HydrophobicContact CB-CB 3.65Å; V177-N206 HydrophobicContact CG2-CB 3.54Å; V204-N206 PolarHBondContact O-N 2.93Å; N206-Y210 WeakPolarHBondContact O-CB 3.21Å; N206-Y210 PolarHBondContact O-N 3.01Å
207E90.8Very high93.1Very high44 Ų4427 Ų2721%0.20612%0.12CC..Hα-helixtrans-68.7-41.5179.1-158.8178.2155.100111.1A174 Q176 D205 Y210 D211 K304A174-E207 HydrophobicContact CB-CB 3.63Å; A174-E207 VanDerWaalsContact CB-N 3.3Å; Q176-E207 PolarHBondContact NE2-OE1 3.02Å; Q176-E207 VanDerWaalsContact OE1-CD 3.27Å; Q176-E207 PolarHBondContact OE1-OE2 3.08Å; D205-E207 PolarHBondContact O-N 3.24Å; D205-E207 VanDerWaalsContact O-N 3.14Å; D205-E207 VanDerWaalsContact OD1-CB 3.31Å; D205-E207 WeakPolarHBondContact OD1-CB 3.39Å; D205-E207 PolarHBondContact OD1-N 3.24Å; E207-Y210 PolarHBondContact O-N 2.98Å; E207-D211 PolarHBondContact O-N 2.93Å; E207-K304 HydrophobicContact CB-CD 4.24Å; E207-K304 VanDerWaalsContact CD-NZ 3.32Å; E207-K304 HydrophobicContact CG-CD 4.08Å; E207-K304 IonicContact OE1-NZ 3.97Å; E207-K304 PolarHBondContact OE1-NZ 2.98Å
208A92.5Very high92.9Very high6 Ų628.9 Ų28.95%0.0513%0.132CC..Hα-helixtrans-64.8-46.2178.400000111.1D205 Y210 D211 I212 Q301 K304D205-A208 HydrophobicContact CB-CB 4Å; D205-A208 WeakPolarHBondContact O-CB 3.45Å; D205-A208 PolarHBondContact O-N 3.24Å; A208-Y210 VanDerWaalsContact C-N 3.33Å; A208-Y210 PolarHBondContact O-N 2.86Å; A208-D211 PolarHBondContact O-N 3.07Å; A208-I212 VanDerWaalsContact O-CG1 3.28Å; A208-I212 WeakPolarHBondContact O-CG1 3.38Å; A208-I212 PolarHBondContact O-N 2.85Å; A208-Q301 WeakPolarHBondContact CB-O 3.38Å; A208-K304 HydrophobicContact CB-CG 4.11Å
209I92.9Very high92.7Very high0 Ų030 Ų300%014%0.137CC..Hα-helixtrans-61.8-43.2176.1-53.6-50.6000110.6V204 D205 D211 I212 C213 L227 L230 I231 I234 M302V204-I209 HydrophobicContact CG1-CD1 3.94Å; V204-I209 HydrophobicContact CG1-CG1 3.73Å; D205-I209 WeakPolarHBondContact O-CG1 3.24Å; D205-I209 PolarHBondContact O-N 3.17Å; D205-I209 VanDerWaalsContact O-N 3.1Å; I209-D211 PolarHBondContact O-N 2.88Å; I209-I212 PolarHBondContact O-N 2.86Å; I209-C213 PolarHBondContact O-N 2.86Å; I209-C213 PolarHBondContact O-SG 3.35Å; I209-C213 VanDerWaalsContact O-SG 3.35Å; I209-L227 HydrophobicContact CB-CD2 4.08Å; I209-L227 HydrophobicContact CG2-CB 3.99Å; I209-L227 HydrophobicContact CG2-CD2 3.53Å; I209-L227 HydrophobicContact CG2-CG 4.33Å; I209-L230 HydrophobicContact CG2-CB 4.29Å; I209-L230 HydrophobicContact CG2-CD2 3.88Å; I209-L230 HydrophobicContact CG2-CG 4.34Å; I209-I231 HydrophobicContact CG1-CG1 4.28Å; I209-I231 HydrophobicContact CG2-CG1 4.44Å; I209-I234 HydrophobicContact CD1-CD1 4.46Å; I209-M302 HydrophobicContact CD1-CB 4.23Å; I209-M302 HydrophobicContact CD1-CG 4.22Å; I209-M302 HydrophobicContact CD1-SD 3.12Å; I209-M302 WeakPolarHBondContact CD1-SD 3.38Å
210Y92.3Very high92.5Very high50 Ų5035.6 Ų35.620%0.19616%0.162CC..Hα-helixtrans-59.9-45.5178.3-170-81.5000111.8V177 N206 E207 A208 C213 R214 P222V177-Y210 HydrophobicContact CG1-CD2 3.98Å; V177-Y210 HydrophobicContact CG1-CE2 4.31Å; N206-Y210 WeakPolarHBondContact O-CB 3.21Å; N206-Y210 PolarHBondContact O-N 3.01Å; E207-Y210 PolarHBondContact O-N 2.98Å; A208-Y210 VanDerWaalsContact C-N 3.33Å; A208-Y210 PolarHBondContact O-N 2.86Å; Y210-C213 PolarHBondContact O-N 2.92Å; Y210-R214 WeakPolarHBondContact O-CB 3.33Å; Y210-R214 PolarHBondContact O-N 3.39Å; Y210-P222 HydrophobicContact CD1-CG 4.46Å; Y210-P222 HydrophobicContact CD2-CB 3.89Å; Y210-P222 HydrophobicContact CD2-CG 4.02Å; Y210-P222 HydrophobicContact CE1-CG 4.4Å; Y210-P222 HydrophobicContact CE2-CB 3.96Å; Y210-P222 HydrophobicContact CE2-CG 3.97Å; Y210-P222 HydrophobicContact CG-CG 4.26Å; Y210-P222 VanDerWaalsContact CZ-CD 3.49Å
211D93.2Very high92.3Very high54 Ų5444.9 Ų44.929%0.28920%0.197SC..Hα-helixtrans-65.8-38.1177.9-78.8-13000112.5E207 A208 I209 R214 R215 K304E207-D211 PolarHBondContact O-N 2.93Å; A208-D211 PolarHBondContact O-N 3.07Å; I209-D211 PolarHBondContact O-N 2.88Å; D211-R214 PolarHBondContact O-N 3.24Å; D211-R215 VanDerWaalsContact O-CB 3.24Å; D211-R215 WeakPolarHBondContact O-CB 3.31Å; D211-R215 PolarHBondContact O-N 2.91Å; D211-K304 WeakPolarHBondContact OD2-CE 3.36Å; D211-K304 IonicContact OD2-NZ 3.62Å; D211-K304 PolarHBondContact OD2-NZ 3.13Å
212I94.1Very high92.1Very high1 Ų145.6 Ų45.61%0.00520%0.202CC..Hα-helixtrans-63.5-48174-69.4166.1000110.1A208 I209 R214 R215 N216 L230 V275 M302A208-I212 VanDerWaalsContact O-CG1 3.28Å; A208-I212 WeakPolarHBondContact O-CG1 3.38Å; A208-I212 PolarHBondContact O-N 2.85Å; I209-I212 PolarHBondContact O-N 2.86Å; I212-R214 VanDerWaalsContact C-N 3.3Å; I212-R214 PolarHBondContact O-N 2.83Å; I212-R215 PolarHBondContact O-N 2.78Å; I212-N216 HydrophobicContact CG2-CB 4.43Å; I212-N216 VanDerWaalsContact O-CB 3.29Å; I212-N216 WeakPolarHBondContact O-CB 3.29Å; I212-N216 PolarHBondContact O-N 2.81Å; I212-L230 HydrophobicContact CB-CD2 4.2Å; I212-L230 HydrophobicContact CG2-CD2 3.64Å; I212-V275 HydrophobicContact CG2-CB 4.15Å; I212-V275 HydrophobicContact CG2-CG1 3.71Å; I212-V275 HydrophobicContact CG2-CG2 4.12Å; I212-M302 HydrophobicContact CD1-CE 4.14Å; I212-M302 HydrophobicContact CD1-SD 3.94Å
213C93Very high92Very high0 Ų049 Ų490%022%0.222CC..Hα-helixtrans-58.8-42.6177.2-71.30000111.7I209 Y210 L217 D218 I219 P222I209-C213 PolarHBondContact O-N 2.86Å; I209-C213 PolarHBondContact O-SG 3.35Å; I209-C213 VanDerWaalsContact O-SG 3.35Å; Y210-C213 PolarHBondContact O-N 2.92Å; C213-L217 HydrophobicContact CB-CD1 4.36Å; C213-L217 CarbonylContact O-C 3.41Å; C213-L217 WeakPolarHBondContact O-CA 3.42Å; C213-L217 VanDerWaalsContact O-CB 3.25Å; C213-L217 WeakPolarHBondContact O-CB 3.23Å; C213-L217 PolarHBondContact O-N 2.79Å; C213-D218 PolarHBondContact O-N 2.95Å; C213-I219 PolarHBondContact O-N 2.79Å; C213-P222 HydrophobicContact CB-CB 3.86Å; C213-P222 HydrophobicContact CB-CG 3.53Å
214R93.1Very high91.9Very high145 Ų14553.3 Ų53.355%0.54724%0.24SC..Hα-helixtrans-69.3-41.5-179.1-172.7177.2173.7-165.5-0.2113.3Y210 D211 I212 I219Y210-R214 WeakPolarHBondContact O-CB 3.33Å; Y210-R214 PolarHBondContact O-N 3.39Å; D211-R214 PolarHBondContact O-N 3.24Å; I212-R214 VanDerWaalsContact C-N 3.3Å; I212-R214 PolarHBondContact O-N 2.83Å; R214-I219 VanDerWaalsContact CA-O 3.29Å; R214-I219 WeakPolarHBondContact CA-O 3.22Å
215R93.4Very high92Very high111 Ų11157 Ų5742%0.41926%0.262SS..Hα-helixtrans-83.7-43-175.3174.5172.83096.72.4113.3D211 I212 A299D211-R215 VanDerWaalsContact O-CB 3.24Å; D211-R215 WeakPolarHBondContact O-CB 3.31Å; D211-R215 PolarHBondContact O-N 2.91Å; I212-R215 PolarHBondContact O-N 2.78Å; R215-A299 VanDerWaalsContact CZ-O 3.28Å; R215-A299 PolarHBondContact NH1-O 2.79Å; R215-A299 PolarHBondContact NH2-O 3.11Å
216N91.9Very high92Very high34 Ų3458 Ų5818%0.18227%0.267CS..Hα-helixtrans-96.4-30.9-171-68.648.7000112.7I212 V275 S277I212-N216 HydrophobicContact CG2-CB 4.43Å; I212-N216 VanDerWaalsContact O-CB 3.29Å; I212-N216 WeakPolarHBondContact O-CB 3.29Å; I212-N216 PolarHBondContact O-N 2.81Å; N216-V275 HydrophobicContact CB-CB 4.22Å; N216-V275 HydrophobicContact CB-CG1 3.85Å; N216-V275 WeakPolarHBondContact CB-O 3.06Å; N216-V275 PolarHBondContact ND2-O 2.86Å; N216-S277 PolarHBondContact O-N 3.11Å
217L91.3Very high92.2Very high10 Ų1057.1 Ų57.15%0.05226%0.263CS..SBendtrans-100.2-2.4180-49.6178.2000112.9C213 I219 V275 D367 L368C213-L217 HydrophobicContact CB-CD1 4.36Å; C213-L217 CarbonylContact O-C 3.41Å; C213-L217 WeakPolarHBondContact O-CA 3.42Å; C213-L217 VanDerWaalsContact O-CB 3.25Å; C213-L217 WeakPolarHBondContact O-CB 3.23Å; C213-L217 PolarHBondContact O-N 2.79Å; L217-I219 HydrophobicContact CB-CD1 3.82Å; L217-I219 HydrophobicContact CB-CG1 3.86Å; L217-I219 HydrophobicContact CD1-CD1 4.13Å; L217-I219 PolarHBondContact O-N 3.41Å; L217-V275 HydrophobicContact CD1-CG1 4.5Å; L217-V275 HydrophobicContact CD2-CG1 3.66Å; L217-V275 HydrophobicContact CG-CG1 4.05Å; L217-D367 HydrophobicContact CD1-CB 4.05Å; L217-L368 HydrophobicContact CD1-CD2 4.49Å; L217-L368 HydrophobicContact CD2-CD2 3.68Å; L217-L368 HydrophobicContact CD2-CG 4.5Å
218D91.9Very high92.4Very high84 Ų8455.7 Ų55.745%0.44926%0.257SS..  trans57.229-177.6-50.7-69.1000113.7C213 K280C213-D218 PolarHBondContact O-N 2.95Å; D218-K280 IonicContact OD1-NZ 3.42Å; D218-K280 PolarHBondContact OD1-NZ 2.87Å; D218-K280 WeakPolarHBondContact OD2-CE 3.48Å; D218-K280 IonicContact OD2-NZ 3.83Å; D218-K280 PolarHBondContact OD2-NZ 2.92Å
219I92Very high92.5Very high30 Ų3058 Ų5815%0.15426%0.264CS..  trans-89.2110.9179-55.6172.8000109C213 R214 L217 R221 P222 N226 D367C213-I219 PolarHBondContact O-N 2.79Å; R214-I219 VanDerWaalsContact CA-O 3.29Å; R214-I219 WeakPolarHBondContact CA-O 3.22Å; L217-I219 HydrophobicContact CB-CD1 3.82Å; L217-I219 HydrophobicContact CB-CG1 3.86Å; L217-I219 HydrophobicContact CD1-CD1 4.13Å; L217-I219 PolarHBondContact O-N 3.41Å; I219-R221 VanDerWaalsContact C-N 3.34Å; I219-R221 PolarHBondContact O-N 3.45Å; I219-P222 HydrophobicContact CB-CG 4.31Å; I219-P222 HydrophobicContact CG2-CB 4.45Å; I219-P222 HydrophobicContact CG2-CG 4.13Å; I219-P222 WeakPolarHBondContact O-CD 3.24Å; I219-N226 HydrophobicContact CD1-CB 4.13Å; I219-D367 HydrophobicContact CD1-CB 3.99Å
220E90Very high92.6Very high152 Ų15258 Ų5871%0.7126%0.264SS*.SBendtrans-62.5-39.7-175.9-167.4-177.4174.300113.1
221R90.2Very high92.7Very high195 Ų19555.8 Ų55.874%0.73626%0.256SS*.SBendtrans-133.383.5179.1-64.7-175.9-176.5-174.4-0.2110.9I219 T223I219-R221 VanDerWaalsContact C-N 3.34Å; I219-R221 PolarHBondContact O-N 3.45Å; R221-T223 PolarHBondContact O-N 3.01Å
222P91.5Very high92.9Very high14 Ų1453.2 Ų53.29%0.09124%0.242CC..  trans-54.3132.1175.3-26.333.7000112.4Y210 C213 I219 L227Y210-P222 HydrophobicContact CD1-CG 4.46Å; Y210-P222 HydrophobicContact CD2-CB 3.89Å; Y210-P222 HydrophobicContact CD2-CG 4.02Å; Y210-P222 HydrophobicContact CE1-CG 4.4Å; Y210-P222 HydrophobicContact CE2-CB 3.96Å; Y210-P222 HydrophobicContact CE2-CG 3.97Å; Y210-P222 HydrophobicContact CG-CG 4.26Å; Y210-P222 VanDerWaalsContact CZ-CD 3.49Å; C213-P222 HydrophobicContact CB-CB 3.86Å; C213-P222 HydrophobicContact CB-CG 3.53Å; I219-P222 HydrophobicContact CB-CG 4.31Å; I219-P222 HydrophobicContact CG2-CB 4.45Å; I219-P222 HydrophobicContact CG2-CG 4.13Å; I219-P222 WeakPolarHBondContact O-CD 3.24Å; P222-L227 HydrophobicContact CB-CD2 4.02Å
223T92.4Very high92.9Very high73 Ų7353.4 Ų53.445%0.44824%0.243SC..  trans-95.5166.3172.367.90000110.6R221 T225 N226 L227R221-T223 PolarHBondContact O-N 3.01Å; T223-T225 PolarHBondContact O-N 3.46Å; T223-T225 VanDerWaalsContact O-N 3.16Å; T223-T225 PolarHBondContact OG1-N 3.39Å; T223-N226 PolarHBondContact N-OD1 2.85Å; T223-N226 WeakPolarHBondContact O-CB 3.32Å; T223-N226 PolarHBondContact O-N 2.78Å; T223-N226 PolarHBondContact OG1-OD1 2.79Å; T223-L227 WeakPolarHBondContact O-CG 3.47Å; T223-L227 PolarHBondContact O-N 2.88Å
224Y90.6Very high92.9Very high92 Ų9253.6 Ų53.636%0.36124%0.244SC..Hα-helixtrans-55.8-31.4173.5-72.2-62.6000112.9V177 N226 L227 N228V177-Y224 PolarHBondContact O-OH 2.72Å; Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 3.44Å; Y224-L227 HydrophobicContact CD1-CD1 4.24Å; Y224-L227 PolarHBondContact O-N 3.14Å; Y224-N228 WeakPolarHBondContact O-CB 3.42Å; Y224-N228 PolarHBondContact O-N 2.84Å; Y224-N228 PolarHBondContact O-ND2 2.86Å; Y224-N228 PolarHBondContact O-OD1 2.92Å
225T93.1Very high93Very high82 Ų8246.8 Ų46.850%0.50322%0.218SC..Hα-helixtrans-62.4-41.2173.8-53.70000112T223 R229T223-T225 PolarHBondContact O-N 3.46Å; T223-T225 VanDerWaalsContact O-N 3.16Å; T223-T225 PolarHBondContact OG1-N 3.39Å; T225-R229 WeakPolarHBondContact O-CB 3.49Å; T225-R229 VanDerWaalsContact O-CG 3.29Å; T225-R229 WeakPolarHBondContact O-CG 3.23Å; T225-R229 PolarHBondContact O-N 2.92Å; T225-R229 VanDerWaalsContact O-N 3.09Å
226N92.8Very high93.1Very high21 Ų2141.5 Ų41.511%0.11220%0.198CC..Hα-helixtrans-67.8-45.8177.7-53.6114.9000110.8I219 T223 Y224 R229 L230 D367I219-N226 HydrophobicContact CD1-CB 4.13Å; T223-N226 PolarHBondContact N-OD1 2.85Å; T223-N226 WeakPolarHBondContact O-CB 3.32Å; T223-N226 PolarHBondContact O-N 2.78Å; T223-N226 PolarHBondContact OG1-OD1 2.79Å; Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 3.44Å; N226-R229 PolarHBondContact O-N 3.4Å; N226-L230 PolarHBondContact O-N 2.83Å; N226-D367 PolarHBondContact ND2-OD1 2.99Å; N226-D367 PolarHBondContact ND2-OD2 2.82Å
227L93.1Very high93.1Very high1 Ų140.2 Ų40.21%0.00519%0.192CC..Hα-helixtrans-60.5-51.4177.9-56.8-178.7000110.7I209 P222 T223 Y224 R229 L230 I231I209-L227 HydrophobicContact CB-CD2 4.08Å; I209-L227 HydrophobicContact CG2-CB 3.99Å; I209-L227 HydrophobicContact CG2-CD2 3.53Å; I209-L227 HydrophobicContact CG2-CG 4.33Å; P222-L227 HydrophobicContact CB-CD2 4.02Å; T223-L227 WeakPolarHBondContact O-CG 3.47Å; T223-L227 PolarHBondContact O-N 2.88Å; Y224-L227 HydrophobicContact CD1-CD1 4.24Å; Y224-L227 PolarHBondContact O-N 3.14Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.39Å; L227-L230 PolarHBondContact O-N 2.66Å; L227-L230 VanDerWaalsContact O-N 3.08Å; L227-I231 VanDerWaalsContact O-CG1 3.29Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 2.74Å
228N94.9Very high93.1Very high15 Ų1540 Ų408%0.0819%0.191CC..Hα-helixtrans-63.9-33.1-177-66.7-12.1000112.4Q15 I16 A19 Y224 I231 S232Q15-N228 WeakPolarHBondContact CB-ND2 2.94Å; I16-N228 HydrophobicContact CG1-CB 4.42Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.26Å; A19-N228 HydrophobicContact CB-CB 4.13Å; Y224-N228 WeakPolarHBondContact O-CB 3.42Å; Y224-N228 PolarHBondContact O-N 2.84Å; Y224-N228 PolarHBondContact O-ND2 2.86Å; Y224-N228 PolarHBondContact O-OD1 2.92Å; N228-I231 PolarHBondContact O-N 3.2Å; N228-S232 VanDerWaalsContact O-CB 3.28Å; N228-S232 WeakPolarHBondContact O-CB 3.39Å; N228-S232 PolarHBondContact O-N 3.08Å; N228-S232 PolarHBondContact O-OG 3.14Å
229R94.9Very high93.1Very high54 Ų5436.1 Ų36.120%0.20417%0.17CC..Hα-helixtrans-66.5-41.2173.2-78.9177.2173.8173.9-6.8112T225 N226 L227 S232 Q233 G365T225-R229 WeakPolarHBondContact O-CB 3.49Å; T225-R229 VanDerWaalsContact O-CG 3.29Å; T225-R229 WeakPolarHBondContact O-CG 3.23Å; T225-R229 PolarHBondContact O-N 2.92Å; T225-R229 VanDerWaalsContact O-N 3.09Å; N226-R229 PolarHBondContact O-N 3.4Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.39Å; R229-S232 WeakPolarHBondContact CA-OG 3.43Å; R229-S232 PolarHBondContact O-N 3.35Å; R229-S232 PolarHBondContact O-OG 2.87Å; R229-Q233 WeakPolarHBondContact O-CG 3.32Å; R229-Q233 PolarHBondContact O-N 3.41Å; R229-G365 PolarHBondContact NH1-O 2.67Å
230L94.6Very high93Very high1 Ų134.8 Ų34.81%0.00516%0.163CC..Hα-helixtrans-66-43.9174.4-178.855.1000111.3I209 I212 N226 L227 S232 Q233 I234 V275 L368I209-L230 HydrophobicContact CG2-CB 4.29Å; I209-L230 HydrophobicContact CG2-CD2 3.88Å; I209-L230 HydrophobicContact CG2-CG 4.34Å; I212-L230 HydrophobicContact CB-CD2 4.2Å; I212-L230 HydrophobicContact CG2-CD2 3.64Å; N226-L230 PolarHBondContact O-N 2.83Å; L227-L230 PolarHBondContact O-N 2.66Å; L227-L230 VanDerWaalsContact O-N 3.08Å; L230-S232 VanDerWaalsContact C-N 3.32Å; L230-S232 PolarHBondContact O-N 3.11Å; L230-Q233 WeakPolarHBondContact O-CB 3.37Å; L230-Q233 PolarHBondContact O-N 3.4Å; L230-I234 HydrophobicContact CG-CD1 4.42Å; L230-I234 WeakPolarHBondContact O-CD1 3.41Å; L230-I234 WeakPolarHBondContact O-CG1 3.44Å; L230-I234 PolarHBondContact O-N 3.07Å; L230-V275 HydrophobicContact CD1-CG1 4.41Å; L230-V275 HydrophobicContact CD1-CG2 4.07Å; L230-L368 HydrophobicContact CD1-CD1 4.43Å
231I95.2Very high92.7Very high3 Ų328.6 Ų28.62%0.01514%0.137CC..Hα-helixtrans-57.9-45.6174.6-63.6171.2000110.5I16 I171 V204 I209 L227 N228 Q233 I234 V235I16-I231 HydrophobicContact CD1-CD1 4.24Å; I16-I231 HydrophobicContact CD1-CG2 4.4Å; I16-I231 HydrophobicContact CG2-CG2 3.9Å; I171-I231 HydrophobicContact CD1-CD1 4.21Å; V204-I231 HydrophobicContact CG1-CD1 3.88Å; V204-I231 HydrophobicContact CG1-CG1 3.87Å; I209-I231 HydrophobicContact CG1-CG1 4.28Å; I209-I231 HydrophobicContact CG2-CG1 4.44Å; L227-I231 VanDerWaalsContact O-CG1 3.29Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 2.74Å; N228-I231 PolarHBondContact O-N 3.2Å; I231-Q233 VanDerWaalsContact C-N 3.26Å; I231-Q233 PolarHBondContact O-N 3.49Å; I231-I234 WeakPolarHBondContact O-CB 3.2Å; I231-I234 PolarHBondContact O-N 3.25Å; I231-V235 HydrophobicContact CG2-CG2 4.01Å; I231-V235 WeakPolarHBondContact O-CG2 3.24Å; I231-V235 PolarHBondContact O-N 3.43Å
232S95.9Very high92.4Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-59.7-33.8179.675.10000113.2L23 N228 R229 L230 S236L23-S232 WeakPolarHBondContact CD2-O 3.25Å; N228-S232 VanDerWaalsContact O-CB 3.28Å; N228-S232 WeakPolarHBondContact O-CB 3.39Å; N228-S232 PolarHBondContact O-N 3.08Å; N228-S232 PolarHBondContact O-OG 3.14Å; R229-S232 WeakPolarHBondContact CA-OG 3.43Å; R229-S232 PolarHBondContact O-N 3.35Å; R229-S232 PolarHBondContact O-OG 2.87Å; L230-S232 VanDerWaalsContact C-N 3.32Å; L230-S232 PolarHBondContact O-N 3.11Å; S232-S236 WeakPolarHBondContact O-CB 3.29Å; S232-S236 PolarHBondContact O-N 3.2Å
233Q95.3Very high92.2Very high4 Ų419.3 Ų19.32%0.01910%0.101CC..Hα-helixtrans-67.8-37.5176-72.1-67.3-22.800112.5L23 R229 L230 I231 S237 T361 L368L23-Q233 HydrophobicContact CD2-CG 4.32Å; R229-Q233 WeakPolarHBondContact O-CG 3.32Å; R229-Q233 PolarHBondContact O-N 3.41Å; L230-Q233 WeakPolarHBondContact O-CB 3.37Å; L230-Q233 PolarHBondContact O-N 3.4Å; I231-Q233 VanDerWaalsContact C-N 3.26Å; I231-Q233 PolarHBondContact O-N 3.49Å; Q233-S237 WeakPolarHBondContact O-CB 3.25Å; Q233-S237 PolarHBondContact O-N 3.06Å; Q233-S237 PolarHBondContact O-OG 2.72Å; Q233-T361 PolarHBondContact NE2-O 3Å; Q233-T361 PolarHBondContact OE1-O 2.98Å; Q233-L368 HydrophobicContact CB-CD1 4.48Å; Q233-L368 HydrophobicContact CG-CD1 3.63Å
234I93.5Very high91.9Very high5 Ų516.4 Ų16.43%0.0268%0.082CC..Hα-helixtrans-70-51.2177.9-58.8158000109.1I209 L230 I231 S236 S237 I238 A270 Y272 M302I209-I234 HydrophobicContact CD1-CD1 4.46Å; L230-I234 HydrophobicContact CG-CD1 4.42Å; L230-I234 WeakPolarHBondContact O-CD1 3.41Å; L230-I234 WeakPolarHBondContact O-CG1 3.44Å; L230-I234 PolarHBondContact O-N 3.07Å; I231-I234 WeakPolarHBondContact O-CB 3.2Å; I231-I234 PolarHBondContact O-N 3.25Å; I234-S236 VanDerWaalsContact C-N 3.25Å; I234-S236 PolarHBondContact O-N 2.84Å; I234-S237 WeakPolarHBondContact O-CA 3.45Å; I234-S237 WeakPolarHBondContact O-CB 3.31Å; I234-S237 PolarHBondContact O-N 2.91Å; I234-I238 HydrophobicContact CG2-CD1 3.89Å; I234-I238 WeakPolarHBondContact O-CG1 3.09Å; I234-I238 PolarHBondContact O-N 2.82Å; I234-A270 HydrophobicContact CG2-CB 4.17Å; I234-Y272 HydrophobicContact CG1-CD2 4.42Å; I234-Y272 HydrophobicContact CG1-CG 4.15Å; I234-M302 HydrophobicContact CD1-CE 3.3Å; I234-M302 HydrophobicContact CD1-CG 3.87Å; I234-M302 HydrophobicContact CD1-SD 3.36Å; I234-M302 WeakPolarHBondContact CD1-SD 3.33Å; I234-M302 HydrophobicContact CG1-CE 3.96Å
235V94.9Very high91.2Very high2 Ų218 Ų181%0.01210%0.097CC..Hα-helixtrans-57.3-41.7176.1178.40000110.5Y24 F138 F169 I231 S237 I238 T239Y24-V235 WeakPolarHBondContact OH-CG1 3.22Å; F138-V235 HydrophobicContact CE1-CB 4.45Å; F138-V235 HydrophobicContact CE1-CG1 3.59Å; F138-V235 HydrophobicContact CE1-CG2 3.97Å; F138-V235 HydrophobicContact CZ-CG1 3.69Å; F169-V235 HydrophobicContact CD1-CG2 3.87Å; F169-V235 HydrophobicContact CE1-CB 4.46Å; F169-V235 HydrophobicContact CE1-CG1 4.31Å; F169-V235 HydrophobicContact CE1-CG2 3.96Å; F169-V235 HydrophobicContact CE2-CG1 4.37Å; F169-V235 HydrophobicContact CG-CG2 4.41Å; F169-V235 HydrophobicContact CZ-CG1 4.12Å; I231-V235 HydrophobicContact CG2-CG2 4.01Å; I231-V235 WeakPolarHBondContact O-CG2 3.24Å; I231-V235 PolarHBondContact O-N 3.43Å; V235-S237 VanDerWaalsContact C-N 3.32Å; V235-S237 PolarHBondContact O-N 2.76Å; V235-I238 PolarHBondContact O-N 3.23Å; V235-T239 HydrophobicContact CG1-CG2 4.33Å; V235-T239 WeakPolarHBondContact O-CB 3.21Å; V235-T239 WeakPolarHBondContact O-CG2 3.06Å; V235-T239 PolarHBondContact O-N 3.1Å; V235-T239 PolarHBondContact O-OG1 2.87Å
236S95Very high90Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-61.3-40.8174.4176.10000112.3E27 S232 I234 T239 A240 R243 R320E27-S236 VanDerWaalsContact CD-OG 3.26Å; E27-S236 PolarHBondContact OE1-OG 3.39Å; E27-S236 PolarHBondContact OE2-OG 2.9Å; S232-S236 WeakPolarHBondContact O-CB 3.29Å; S232-S236 PolarHBondContact O-N 3.2Å; I234-S236 VanDerWaalsContact C-N 3.25Å; I234-S236 PolarHBondContact O-N 2.84Å; S236-T239 PolarHBondContact O-N 2.87Å; S236-T239 PolarHBondContact O-OG1 2.84Å; S236-A240 WeakPolarHBondContact O-CA 3.47Å; S236-A240 VanDerWaalsContact O-CB 3.23Å; S236-A240 WeakPolarHBondContact O-CB 3.4Å; S236-A240 PolarHBondContact O-N 2.85Å; S236-R243 PolarHBondContact O-NH2 3.41Å; S236-R243 PolarHBondContact OG-NH2 3.46Å; S236-R320 PolarHBondContact OG-NH1 3.14Å
237S92.8Very high88.4Confident6 Ų617.3 Ų17.34%0.04210%0.104CC..Hα-helixtrans-68.4-35.8178.2-58.70000112.7Q233 I234 V235 Y272Q233-S237 WeakPolarHBondContact O-CB 3.25Å; Q233-S237 PolarHBondContact O-N 3.06Å; Q233-S237 PolarHBondContact O-OG 2.72Å; I234-S237 WeakPolarHBondContact O-CA 3.45Å; I234-S237 WeakPolarHBondContact O-CB 3.31Å; I234-S237 PolarHBondContact O-N 2.91Å; V235-S237 VanDerWaalsContact C-N 3.32Å; V235-S237 PolarHBondContact O-N 2.76Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.47Å
238I90.8Very high86.9Confident6 Ų621.2 Ų21.23%0.03113%0.125CC..Hα-helixtrans-69.6-44.9176-64167.4000110.5F169 F202 I234 V235 A240 F255 L378F169-I238 HydrophobicContact CE1-CD1 3.79Å; F169-I238 HydrophobicContact CE1-CG2 4.46Å; F169-I238 HydrophobicContact CZ-CD1 4.49Å; F169-I238 HydrophobicContact CZ-CG2 4.13Å; F202-I238 HydrophobicContact CE2-CG2 4.06Å; F202-I238 HydrophobicContact CG-CD1 4.5Å; F202-I238 HydrophobicContact CZ-CG2 4.13Å; I234-I238 HydrophobicContact CG2-CD1 3.89Å; I234-I238 WeakPolarHBondContact O-CG1 3.09Å; I234-I238 PolarHBondContact O-N 2.82Å; V235-I238 PolarHBondContact O-N 3.23Å; I238-A240 VanDerWaalsContact C-N 3.34Å; I238-A240 PolarHBondContact O-N 3.18Å; I238-F255 HydrophobicContact CG2-CE1 4.01Å; I238-F255 HydrophobicContact CG2-CZ 3.89Å; I238-F255 WeakPolarHBondContact O-CZ 3.29Å; I238-L378 HydrophobicContact CD1-CD2 3.79Å; I238-L378 HydrophobicContact CG1-CD1 4.18Å; I238-L378 HydrophobicContact CG1-CD2 3.96Å; I238-L378 HydrophobicContact CG1-CG 4.46Å; I238-L378 HydrophobicContact CG2-CD1 4.34Å
239T91.4Very high85.3Confident2 Ų223.7 Ų23.71%0.01214%0.138CC..Hα-helixtrans-84-6.1-178.161.40000113.9Y24 F52 L136 V235 S236 S241 L242 R243Y24-T239 PolarHBondContact OH-OG1 3.06Å; Y24-T239 VanDerWaalsContact OH-OG1 3.05Å; F52-T239 HydrophobicContact CE1-CG2 4.37Å; F52-T239 HydrophobicContact CZ-CG2 4.03Å; L136-T239 HydrophobicContact CD1-CG2 3.89Å; V235-T239 HydrophobicContact CG1-CG2 4.33Å; V235-T239 WeakPolarHBondContact O-CB 3.21Å; V235-T239 WeakPolarHBondContact O-CG2 3.06Å; V235-T239 PolarHBondContact O-N 3.1Å; V235-T239 PolarHBondContact O-OG1 2.87Å; S236-T239 PolarHBondContact O-N 2.87Å; S236-T239 PolarHBondContact O-OG1 2.84Å; T239-S241 PolarHBondContact O-N 2.98Å; T239-L242 WeakPolarHBondContact O-CB 3.29Å; T239-L242 PolarHBondContact O-N 2.99Å; T239-R243 PolarHBondContact O-N 2.96Å; T239-R243 PolarHBondContact OG1-NE 3.11Å
240A89.7Confident84Confident2 Ų221.6 Ų21.62%0.01713%0.131CC..Hα-helixtrans-59.2-34.8-176.800000112.6S236 I238 L242 R243 F244S236-A240 WeakPolarHBondContact O-CA 3.47Å; S236-A240 VanDerWaalsContact O-CB 3.23Å; S236-A240 WeakPolarHBondContact O-CB 3.4Å; S236-A240 PolarHBondContact O-N 2.85Å; I238-A240 VanDerWaalsContact C-N 3.34Å; I238-A240 PolarHBondContact O-N 3.18Å; A240-L242 PolarHBondContact O-N 2.92Å; A240-R243 PolarHBondContact O-N 2.99Å; A240-F244 HydrophobicContact CB-CD2 4.29Å; A240-F244 WeakPolarHBondContact O-CB 3.43Å; A240-F244 PolarHBondContact O-N 3.43Å
241S84.1Confident82.9Confident22 Ų2222.2 Ų22.215%0.15413%0.134CC..Hα-helixtrans-66.7-18.2177.560.70000113.7T239 V250T239-S241 PolarHBondContact O-N 2.98Å; S241-V250 WeakPolarHBondContact CB-O 3.44Å; S241-V250 PolarHBondContact OG-O 3.42Å
242L84.1Confident82.1Confident15 Ų1522.2 Ų22.28%0.07913%0.134CC..Hα-helixtrans-92-25.1178.3-53.4168.8000112T51 F52 T239 A240 V250 L252T51-L242 WeakPolarHBondContact CG2-O 3.49Å; T51-L242 PolarHBondContact OG1-O 3.16Å; F52-L242 HydrophobicContact CE2-CB 3.84Å; F52-L242 HydrophobicContact CE2-CD1 4.08Å; F52-L242 HydrophobicContact CZ-CD1 4.14Å; T239-L242 WeakPolarHBondContact O-CB 3.29Å; T239-L242 PolarHBondContact O-N 2.99Å; A240-L242 PolarHBondContact O-N 2.92Å; L242-V250 WeakPolarHBondContact CD2-O 3.43Å; L242-L252 HydrophobicContact CD1-CD2 3.43Å; L242-L252 VanDerWaalsContact CD1-CD2 3.43Å; L242-L252 HydrophobicContact CD1-CG 4.49Å; L242-L252 HydrophobicContact CD2-CD2 4.05Å; L242-L252 HydrophobicContact CD2-CG 4.46Å; L242-L252 HydrophobicContact CG-CD2 4.38Å
243R87.8Confident81.5Confident0 Ų025.3 Ų25.30%015%0.153CC..Hα-helixtrans-102.7-23.5-172.7-65.1-175.3-63.5105.6-1.5113.5E27 H28 S48 F52 S236 T239 A240E27-R243 IonicContact OE2-CZ 2.8Å; E27-R243 IonicContact OE2-NH1 3.6Å; E27-R243 PolarHBondContact OE2-NH1 3.14Å; E27-R243 IonicContact OE2-NH2 3.69Å; E27-R243 PolarHBondContact OE2-NH2 3.3Å; H28-R243 PolarHBondContact NE2-NH1 3.12Å; S48-R243 CarbonylContact C-O 3.58Å; S48-R243 VanDerWaalsContact C-O 3.26Å; S48-R243 VanDerWaalsContact CB-O 3.29Å; S48-R243 WeakPolarHBondContact CB-O 3.39Å; S48-R243 PolarHBondContact OG-O 3.4Å; F52-R243 HydrophobicContact CB-CG 4.43Å; F52-R243 HydrophobicContact CD1-CG 4.3Å; F52-R243 HydrophobicContact CD2-CG 3.52Å; F52-R243 HydrophobicContact CE1-CG 4.46Å; F52-R243 HydrophobicContact CE2-CG 3.73Å; F52-R243 HydrophobicContact CG-CG 3.83Å; F52-R243 HydrophobicContact CZ-CG 4.2Å; S236-R243 PolarHBondContact O-NH2 3.41Å; S236-R243 PolarHBondContact OG-NH2 3.46Å; T239-R243 PolarHBondContact O-N 2.96Å; T239-R243 PolarHBondContact OG1-NE 3.11Å; A240-R243 PolarHBondContact O-N 2.99Å
244F85.4Confident80.9Confident11 Ų1128.2 Ų28.25%0.04817%0.167CC..SBendtrans-124.3150.1-179.8-62.4-66000110.8E27 H28 A240 N356 Q358E27-F244 HydrophobicContact CB-CZ 4Å; E27-F244 WeakPolarHBondContact OE2-CE2 3.34Å; H28-F244 AromaticContact CE1-CD1 3.92Å; H28-F244 AromaticContact CE1-CE1 3.16Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.24Å; H28-F244 AromaticContact CE1-CZ 3.23Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.32Å; H28-F244 AromaticContact ND1-CE1 3.47Å; H28-F244 WeakPolarHBondContact ND1-CE1 3.46Å; H28-F244 AromaticContact ND1-CZ 3.74Å; H28-F244 AromaticContact NE2-CZ 3.68Å; A240-F244 HydrophobicContact CB-CD2 4.29Å; A240-F244 WeakPolarHBondContact O-CB 3.43Å; A240-F244 PolarHBondContact O-N 3.43Å; F244-N356 WeakPolarHBondContact CB-ND2 3.46Å; F244-N356 VanDerWaalsContact CD2-ND2 3.27Å; F244-N356 WeakPolarHBondContact CD2-ND2 3.45Å; F244-N356 WeakPolarHBondContact CG-ND2 3.42Å; F244-Q358 VanDerWaalsContact CD1-CD 3.41Å; F244-Q358 VanDerWaalsContact CD1-NE2 3.26Å; F244-Q358 VanDerWaalsContact CE1-CD 3.49Å
245D76.5Confident80.2Confident126 Ų12628.2 Ų28.267%0.67417%0.167SC*.  trans-72.1134.3166.1-162.424.6000110.1N249D245-N249 PolarHBondContact OD1-ND2 3.35Å
246G67.7Low79.6Confident19 Ų1931 Ų3120%0.19618%0.18CC..  trans-142.3168-17600000111.7L248 N249G246-L248 PolarHBondContact O-N 2.9Å; G246-N249 VanDerWaalsContact CA-OD1 3.3Å; G246-N249 WeakPolarHBondContact CA-OD1 3.48Å; G246-N249 PolarHBondContact N-OD1 3.02Å; G246-N249 PolarHBondContact O-OD1 3.16Å
247A59Low79.2Confident69 Ų6936.1 Ų36.157%0.5721%0.211SC*.SBendtrans-68.5-22-179.300000113I355 Y357A247-I355 PolarHBondContact N-O 2.9Å; A247-Y357 HydrophobicContact CB-CE2 4.37Å
248L62Low78.9Confident83 Ų8337.3 Ų37.344%0.43522%0.217SC..SBendtrans-142100.6171.6-167.976.5000108.3G246 V250 V353G246-L248 PolarHBondContact O-N 2.9Å; L248-V250 PolarHBondContact O-N 3.06Å; L248-V353 WeakPolarHBondContact CD2-O 3.37Å
249N60.8Low78.7Confident67 Ų6737 Ų3736%0.35822%0.215SC..  trans-84.296.3-179.1-68.2-23.2000109.6D245 G246 D251D245-N249 PolarHBondContact OD1-ND2 3.35Å; G246-N249 VanDerWaalsContact CA-OD1 3.3Å; G246-N249 WeakPolarHBondContact CA-OD1 3.48Å; G246-N249 PolarHBondContact N-OD1 3.02Å; G246-N249 PolarHBondContact O-OD1 3.16Å; N249-D251 PolarHBondContact O-N 2.59Å
250V66.8Low78.7Confident11 Ų1137.7 Ų37.77%0.06722%0.22CC..  trans-73.8121.4173.5-173.10000109.2S241 L242 L248 E254 F255S241-V250 WeakPolarHBondContact CB-O 3.44Å; S241-V250 PolarHBondContact OG-O 3.42Å; L242-V250 WeakPolarHBondContact CD2-O 3.43Å; L248-V250 PolarHBondContact O-N 3.06Å; V250-E254 WeakPolarHBondContact CA-OE2 3.33Å; V250-E254 HydrophobicContact CG1-CB 3.72Å; V250-F255 HydrophobicContact CB-CE2 4.33Å; V250-F255 HydrophobicContact CB-CZ 4.42Å; V250-F255 HydrophobicContact CG1-CD1 4.31Å; V250-F255 HydrophobicContact CG1-CD2 3.82Å; V250-F255 HydrophobicContact CG1-CE1 4.26Å; V250-F255 HydrophobicContact CG1-CE2 3.79Å; V250-F255 HydrophobicContact CG1-CG 4.09Å; V250-F255 HydrophobicContact CG1-CZ 4.01Å
251D72.8Confident78.6Confident13 Ų1340 Ų407%0.0723%0.234CC..  trans-92.5170.517270.549000113.2R2 N249 T253 E254 F255R2-D251 VanDerWaalsContact CZ-CB 3.48Å; R2-D251 IonicContact CZ-OD2 2.85Å; R2-D251 IonicContact NH1-OD2 2.79Å; R2-D251 PolarHBondContact NH1-OD2 3.39Å; R2-D251 IonicContact NH2-OD1 2.71Å; R2-D251 IonicContact NH2-OD2 3.63Å; R2-D251 PolarHBondContact NH2-OD2 3.08Å; N249-D251 PolarHBondContact O-N 2.59Å; D251-T253 PolarHBondContact O-N 2.84Å; D251-T253 WeakPolarHBondContact OD1-CA 3.49Å; D251-T253 VanDerWaalsContact OD1-CB 3.31Å; D251-T253 WeakPolarHBondContact OD1-CB 3.3Å; D251-T253 PolarHBondContact OD1-N 3Å; D251-E254 WeakPolarHBondContact O-CB 3.32Å; D251-E254 PolarHBondContact O-N 3.33Å; D251-E254 VanDerWaalsContact O-N 3.1Å; D251-E254 PolarHBondContact OD1-N 2.71Å; D251-F255 VanDerWaalsContact O-CD2 3.25Å; D251-F255 WeakPolarHBondContact O-CD2 3.2Å; D251-F255 PolarHBondContact O-N 3.08Å
252L77.9Confident78.9Confident3 Ų344.1 Ų44.12%0.01625%0.247CC..Hα-helixtrans-57.1-36.7-179.1-57.3-170.8000113Q133 L136 L167 L242 F255Q133-L252 HydrophobicContact CB-CD1 3.78Å; Q133-L252 HydrophobicContact CB-CG 4.18Å; L136-L252 HydrophobicContact CD2-CD2 4.02Å; L167-L252 HydrophobicContact CD1-CB 3.83Å; L167-L252 HydrophobicContact CD1-CD1 4.25Å; L167-L252 HydrophobicContact CD1-CD2 3.46Å; L167-L252 VanDerWaalsContact CD1-CD2 3.46Å; L167-L252 HydrophobicContact CD1-CG 4.02Å; L242-L252 HydrophobicContact CD1-CD2 3.43Å; L242-L252 VanDerWaalsContact CD1-CD2 3.43Å; L242-L252 HydrophobicContact CD1-CG 4.49Å; L242-L252 HydrophobicContact CD2-CD2 4.05Å; L242-L252 HydrophobicContact CD2-CG 4.46Å; L242-L252 HydrophobicContact CG-CD2 4.38Å; L252-F255 PolarHBondContact O-N 3.24Å
253T82.4Confident79.2Confident65 Ų6548.2 Ų48.240%0.39928%0.275SS..Hα-helixtrans-75.1-31.8179.4-520000111.4D251 F255 Q256 T257D251-T253 PolarHBondContact O-N 2.84Å; D251-T253 WeakPolarHBondContact OD1-CA 3.49Å; D251-T253 VanDerWaalsContact OD1-CB 3.31Å; D251-T253 WeakPolarHBondContact OD1-CB 3.3Å; D251-T253 PolarHBondContact OD1-N 3Å; T253-F255 VanDerWaalsContact C-N 3.34Å; T253-Q256 PolarHBondContact O-N 3.19Å; T253-T257 PolarHBondContact O-N 2.94Å; T253-T257 PolarHBondContact O-OG1 3.45Å
254E83.1Confident79.4Confident66 Ų6651.7 Ų51.731%0.30829%0.288SS..Hα-helixtrans-69.7-29.9173-75.4-172.9-168.200112V250 D251 Q256 T257 N258V250-E254 WeakPolarHBondContact CA-OE2 3.33Å; V250-E254 HydrophobicContact CG1-CB 3.72Å; D251-E254 WeakPolarHBondContact O-CB 3.32Å; D251-E254 PolarHBondContact O-N 3.33Å; D251-E254 VanDerWaalsContact O-N 3.1Å; D251-E254 PolarHBondContact OD1-N 2.71Å; E254-Q256 VanDerWaalsContact C-N 3.35Å; E254-T257 PolarHBondContact O-N 2.92Å; E254-N258 WeakPolarHBondContact O-CB 3.26Å; E254-N258 PolarHBondContact O-N 3.19Å; E254-N258 PolarHBondContact O-ND2 2.8Å
255F79.5Confident79.9Confident5 Ų551.4 Ų51.42%0.02229%0.287CS..Hα-helixtrans-58.6-48.7170-82.2-75.4000111L167 F202 I238 V250 D251 L252 T253 N258 L259 L318 L378L167-F255 HydrophobicContact CD2-CB 4.17Å; F202-F255 HydrophobicContact CZ-CD1 4.13Å; F202-F255 HydrophobicContact CZ-CE1 4.48Å; I238-F255 HydrophobicContact CG2-CE1 4.01Å; I238-F255 HydrophobicContact CG2-CZ 3.89Å; I238-F255 WeakPolarHBondContact O-CZ 3.29Å; V250-F255 HydrophobicContact CB-CE2 4.33Å; V250-F255 HydrophobicContact CB-CZ 4.42Å; V250-F255 HydrophobicContact CG1-CD1 4.31Å; V250-F255 HydrophobicContact CG1-CD2 3.82Å; V250-F255 HydrophobicContact CG1-CE1 4.26Å; V250-F255 HydrophobicContact CG1-CE2 3.79Å; V250-F255 HydrophobicContact CG1-CG 4.09Å; V250-F255 HydrophobicContact CG1-CZ 4.01Å; D251-F255 VanDerWaalsContact O-CD2 3.25Å; D251-F255 WeakPolarHBondContact O-CD2 3.2Å; D251-F255 PolarHBondContact O-N 3.08Å; L252-F255 PolarHBondContact O-N 3.24Å; T253-F255 VanDerWaalsContact C-N 3.34Å; F255-N258 PolarHBondContact O-N 3.13Å; F255-L259 HydrophobicContact CD1-CD1 3.87Å; F255-L259 VanDerWaalsContact O-CB 3.26Å; F255-L259 WeakPolarHBondContact O-CB 3.47Å; F255-L259 PolarHBondContact O-N 2.88Å; F255-L318 HydrophobicContact CE1-CD1 4.38Å; F255-L378 HydrophobicContact CD1-CD1 4.05Å; F255-L378 HydrophobicContact CE1-CD1 3.52Å
256Q82.4Confident80.8Confident61 Ų6145.5 Ų45.529%0.28526%0.255SS..Hα-helixtrans-59.9-51.9175.6-175.6179.914.100110.8T253 E254 N258 L259 V260T253-Q256 PolarHBondContact O-N 3.19Å; E254-Q256 VanDerWaalsContact C-N 3.35Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 2.81Å; Q256-L259 PolarHBondContact O-N 2.92Å; Q256-V260 HydrophobicContact CG-CB 4.3Å; Q256-V260 WeakPolarHBondContact O-CA 3.2Å; Q256-V260 WeakPolarHBondContact O-CB 3.38Å; Q256-V260 PolarHBondContact O-N 3.2Å
257T86.2Confident82.1Confident106 Ų10644.8 Ų44.865%0.6525%0.247SC*.Hα-helixtrans-61.4-34.4-177.2-53.50000113T253 E254T253-T257 PolarHBondContact O-N 2.94Å; T253-T257 PolarHBondContact O-OG1 3.45Å; E254-T257 PolarHBondContact O-N 2.92Å
258N86.3Confident83.7Confident31 Ų3141.5 Ų41.517%0.16622%0.22CC..Hα-helixtrans-90.5-28.5-176.1-70.3-47.7000113.7E254 F255 Q256 A314 K352E254-N258 WeakPolarHBondContact O-CB 3.26Å; E254-N258 PolarHBondContact O-N 3.19Å; E254-N258 PolarHBondContact O-ND2 2.8Å; F255-N258 PolarHBondContact O-N 3.13Å; Q256-N258 VanDerWaalsContact C-N 3.27Å; Q256-N258 PolarHBondContact O-N 2.81Å; N258-A314 WeakPolarHBondContact O-CB 3.45Å; N258-K352 HydrophobicContact CB-CG 4.26Å; N258-K352 WeakPolarHBondContact OD1-CE 3.42Å
259L87.3Confident85.2Confident0 Ų037.5 Ų37.50%020%0.199CC..Hα-helixtrans-111.2-21.9-172.9-65.2173.1000114.1F202 F255 Q256 P261 P268 A314 C316 L378 N380F202-L259 HydrophobicContact CE1-CD1 4.21Å; F202-L259 HydrophobicContact CZ-CD1 4.49Å; F255-L259 HydrophobicContact CD1-CD1 3.87Å; F255-L259 VanDerWaalsContact O-CB 3.26Å; F255-L259 WeakPolarHBondContact O-CB 3.47Å; F255-L259 PolarHBondContact O-N 2.88Å; Q256-L259 PolarHBondContact O-N 2.92Å; L259-P261 VanDerWaalsContact O-CD 3.24Å; L259-P261 WeakPolarHBondContact O-CD 2.99Å; L259-P268 HydrophobicContact CB-CG 3.96Å; L259-P268 HydrophobicContact CD1-CB 4.2Å; L259-P268 HydrophobicContact CD1-CG 3.94Å; L259-P268 HydrophobicContact CG-CG 4.48Å; L259-A314 HydrophobicContact CD2-CB 4.28Å; L259-C316 HydrophobicContact CD2-CB 4.05Å; L259-C316 WeakPolarHBondContact CD2-SG 3.34Å; L259-L378 HydrophobicContact CD1-CB 3.85Å; L259-L378 HydrophobicContact CD1-CD1 3.91Å; L259-L378 HydrophobicContact CD2-CB 4.07Å; L259-L378 WeakPolarHBondContact CD2-O 3.41Å; L259-N380 VanDerWaalsContact O-CB 3.23Å; L259-N380 WeakPolarHBondContact O-CB 3.47Å; L259-N380 PolarHBondContact O-ND2 2.65Å
260V90.9Very high86.7Confident17 Ų1734.4 Ų34.410%0.10318%0.182CC..  trans-115.291.3-169.9-175.60000109.5C200 Q256 Y262 H266C200-V260 HydrophobicContact CB-CG2 4Å; Q256-V260 HydrophobicContact CG-CB 4.3Å; Q256-V260 WeakPolarHBondContact O-CA 3.2Å; Q256-V260 WeakPolarHBondContact O-CB 3.38Å; Q256-V260 PolarHBondContact O-N 3.2Å; V260-Y262 WeakPolarHBondContact CG1-O 3.38Å; V260-H266 HydrophobicContact CB-CB 4.36Å; V260-H266 HydrophobicContact CG1-CB 3.53Å; V260-H266 HydrophobicContact CG2-CB 3.85Å
261P88Confident88.1Confident50 Ų5033.9 Ų33.933%0.32518%0.179SC..SBendtrans-71.7-35.3178.829.8-35.9000112.3L259 M313 W346L259-P261 VanDerWaalsContact O-CD 3.24Å; L259-P261 WeakPolarHBondContact O-CD 2.99Å; P261-M313 HydrophobicContact CG-CB 4.05Å; P261-M313 HydrophobicContact CG-CG 4.37Å; P261-M313 HydrophobicContact CG-SD 3.84Å; P261-W346 HydrophobicContact CB-CH2 3.52Å; P261-W346 HydrophobicContact CB-CZ3 3.91Å; P261-W346 HydrophobicContact CG-CH2 3.84Å
262Y89.6Confident89.2Confident108 Ų10833.5 Ų33.542%0.42418%0.177SC..SBendtrans-125.7136.1179.3-62.3-68.9000109.3V260 R264 I265 W346 V435V260-Y262 WeakPolarHBondContact CG1-O 3.38Å; Y262-R264 VanDerWaalsContact C-N 3.3Å; Y262-R264 PolarHBondContact O-N 2.79Å; Y262-I265 HydrophobicContact CD2-CD1 4.17Å; Y262-I265 CarbonylContact O-C 3.52Å; Y262-I265 PolarHBondContact O-N 2.87Å; Y262-W346 HydrophobicContact CE2-CH2 4.21Å; Y262-W346 AromaticContact CE2-CZ2 3.86Å; Y262-W346 HydrophobicContact CE2-CZ2 3.86Å; Y262-V435 HydrophobicContact CD2-CG2 4.08Å; Y262-V435 HydrophobicContact CE2-CG2 3.88Å
263P90.2Very high90.1Very high102 Ų10233.4 Ų33.466%0.66218%0.176SC*.THydrogen-bonded Turntrans-54.4-38.7-174-29.735.9000115.2H266P263-H266 WeakPolarHBondContact O-CB 3.3Å; P263-H266 VanDerWaalsContact O-CG 3.31Å; P263-H266 PolarHBondContact O-ND1 3.23Å
264R93.4Very high90.7Very high73 Ų7330.9 Ų30.928%0.27516%0.161SC..THydrogen-bonded Turntrans-75.4-26.4178.6-69.4176.86087.6-0.4113.4L195 Y262 H266 D424 L428 D431L195-R264 HydrophobicContact CD2-CG 4.47Å; L195-R264 VanDerWaalsContact CD2-NH1 3.3Å; Y262-R264 VanDerWaalsContact C-N 3.3Å; Y262-R264 PolarHBondContact O-N 2.79Å; R264-H266 VanDerWaalsContact C-N 3.29Å; R264-H266 PolarHBondContact O-N 3.19Å; R264-D424 IonicContact CZ-OD1 2.96Å; R264-D424 VanDerWaalsContact CZ-OD1 3.25Å; R264-D424 IonicContact NH1-OD1 3.41Å; R264-D424 PolarHBondContact NH1-OD1 3.17Å; R264-D424 PolarHBondContact NH2-O 3.12Å; R264-D424 IonicContact NH2-OD1 3.07Å; R264-D424 PolarHBondContact NH2-OD1 2.88Å; R264-L428 HydrophobicContact CB-CD1 4.28Å; R264-L428 WeakPolarHBondContact O-CD1 3.26Å; R264-D431 IonicContact CZ-OD2 2.66Å; R264-D431 IonicContact NE-OD2 3.66Å; R264-D431 PolarHBondContact NE-OD2 2.96Å; R264-D431 IonicContact NH2-OD2 3.86Å
265I94.5Very high91.2Very high4 Ų428.1 Ų28.12%0.02115%0.149CC..  trans-95.762.1-178.8-59.6169.5000108.9Y262 M313 N380 D431 Y432 V435Y262-I265 HydrophobicContact CD2-CD1 4.17Å; Y262-I265 CarbonylContact O-C 3.52Å; Y262-I265 PolarHBondContact O-N 2.87Å; I265-M313 HydrophobicContact CG2-CE 3.62Å; I265-M313 HydrophobicContact CG2-SD 3.75Å; I265-N380 PolarHBondContact O-ND2 3.32Å; I265-D431 HydrophobicContact CD1-CB 4.2Å; I265-D431 HydrophobicContact CG1-CB 4.4Å; I265-Y432 HydrophobicContact CB-CE1 4.42Å; I265-Y432 HydrophobicContact CG1-CE1 4.38Å; I265-Y432 HydrophobicContact CG2-CD1 4.13Å; I265-Y432 HydrophobicContact CG2-CE1 3.38Å; I265-V435 HydrophobicContact CD1-CB 4.33Å; I265-V435 HydrophobicContact CD1-CG2 3.58Å
266H95.3Very high91.8Very high2 Ų229.4 Ų29.41%0.00916%0.155CC..  trans-111.231.8-173.365.7-178.3000113.4L195 S198 C200 A201 V260 P263 R264 P268L195-H266 WeakPolarHBondContact CD1-NE2 3.3Å; L195-H266 PolarHBondContact O-CE1 2.57Å; S198-H266 PolarHBondContact O-CE1 3.29Å; S198-H266 PolarHBondContact O-ND1 2.9Å; C200-H266 WeakPolarHBondContact CA-O 3.3Å; A201-H266 PolarHBondContact N-O 3.1Å; V260-H266 HydrophobicContact CB-CB 4.36Å; V260-H266 HydrophobicContact CG1-CB 3.53Å; V260-H266 HydrophobicContact CG2-CB 3.85Å; P263-H266 WeakPolarHBondContact O-CB 3.3Å; P263-H266 VanDerWaalsContact O-CG 3.31Å; P263-H266 PolarHBondContact O-ND1 3.23Å; R264-H266 VanDerWaalsContact C-N 3.29Å; R264-H266 PolarHBondContact O-N 3.19Å; H266-P268 WeakPolarHBondContact O-CD 3.21Å
267F95.8Very high92.2Very high4 Ų426.9 Ų26.92%0.01815%0.145CC..  trans-11281.4179.8-57.1-80000112.7T191 L195 A201 M203 I384 W388 L428T191-F267 HydrophobicContact CG2-CZ 4.11Å; L195-F267 HydrophobicContact CD1-CE2 3.69Å; 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 3.43Å; M203-F267 HydrophobicContact CE-CB 4.32Å; M203-F267 HydrophobicContact CG-CD1 4.19Å; M203-F267 HydrophobicContact SD-CD1 4.42Å; F267-I384 HydrophobicContact CB-CD1 4.05Å; F267-I384 VanDerWaalsContact O-CD1 3.26Å; F267-I384 WeakPolarHBondContact O-CD1 3.47Å; F267-W388 AromaticContact CD1-CZ2 3.79Å; F267-W388 HydrophobicContact CD1-CZ2 3.79Å; F267-W388 HydrophobicContact CD2-CZ2 4.02Å; F267-W388 HydrophobicContact CE1-CH2 4.13Å; F267-W388 AromaticContact CE1-CZ2 3.66Å; F267-W388 HydrophobicContact CE1-CZ2 3.66Å; F267-W388 AromaticContact CE2-CZ2 3.89Å; F267-W388 HydrophobicContact CE2-CZ2 3.89Å; F267-W388 AromaticContact CG-CZ2 3.97Å; F267-W388 HydrophobicContact CG-CZ2 3.97Å; F267-W388 HydrophobicContact CZ-CH2 4.26Å; F267-W388 AromaticContact CZ-CZ2 3.71Å; F267-W388 HydrophobicContact CZ-CZ2 3.71Å; F267-L428 HydrophobicContact CE2-CD2 3.98Å
268P93.2Very high92.2Very high0 Ų024 Ų240%013%0.132CC..PPolyproline II helixtrans-69.8136.5175.2-17.131.4000111.8C200 A201 F202 L259 H266C200-P268 VanDerWaalsContact SG-CD 3.57Å; C200-P268 VanDerWaalsContact SG-CG 3.52Å; A201-P268 WeakPolarHBondContact O-CD 3.5Å; F202-P268 HydrophobicContact CD1-CB 4.14Å; F202-P268 HydrophobicContact CD1-CG 4.31Å; F202-P268 HydrophobicContact CE1-CB 4.02Å; F202-P268 HydrophobicContact CE1-CG 3.99Å; L259-P268 HydrophobicContact CB-CG 3.96Å; L259-P268 HydrophobicContact CD1-CB 4.2Å; L259-P268 HydrophobicContact CD1-CG 3.94Å; L259-P268 HydrophobicContact CG-CG 4.48Å; H266-P268 WeakPolarHBondContact O-CD 3.21Å
269L92Very high92Very high0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-74.7127.3167.2175.471000109.9Q301 V303 P307 L378 S379 T381L269-Q301 HydrophobicContact CD1-CB 4.29Å; L269-Q301 HydrophobicContact CD2-CB 4.33Å; L269-Q301 HydrophobicContact CD2-CG 3.95Å; L269-V303 HydrophobicContact CD1-CB 3.53Å; L269-V303 HydrophobicContact CD1-CG2 3.85Å; L269-P307 HydrophobicContact CD2-CG 4.06Å; L269-L378 WeakPolarHBondContact O-CA 3.44Å; L269-S379 WeakPolarHBondContact CB-O 2.8Å; L269-S379 PolarHBondContact N-O 3.11Å; L269-S379 PolarHBondContact O-N 2.9Å; L269-T381 HydrophobicContact CB-CG2 4.3Å; L269-T381 HydrophobicContact CD2-CG2 4.23Å
270A93.8Very high91.7Very high1 Ų135.2 Ų35.21%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-90.4143.7168.800000111.1I234 M302 M377 L378I234-A270 HydrophobicContact CG2-CB 4.17Å; A270-M302 HydrophobicContact CB-CB 4.24Å; A270-M302 HydrophobicContact CB-CG 3.98Å; A270-M302 VanDerWaalsContact O-CB 3.3Å; A270-M302 WeakPolarHBondContact O-CB 3.42Å; A270-M302 WeakPolarHBondContact O-CG 3.38Å; A270-M302 PolarHBondContact O-N 3.23Å; A270-M377 CarbonylContact C-O 3.26Å; A270-M377 WeakPolarHBondContact CA-O 3.42Å; A270-L378 HydrophobicContact CB-CD2 3.91Å
271T96.1Very high90.5Very high0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-141.9136.1172-54.90000108.9C295 N300 Q301 C376 M377T271-C295 HydrophobicContact CG2-CB 4.33Å; T271-C295 WeakPolarHBondContact CG2-O 3.46Å; T271-N300 HydrophobicContact CG2-CB 3.89Å; T271-N300 VanDerWaalsContact CG2-O 3.32Å; T271-N300 WeakPolarHBondContact CG2-O 3.1Å; T271-Q301 HydrophobicContact CG2-CG 4.25Å; T271-Q301 WeakPolarHBondContact OG1-CG 3.39Å; T271-C376 CarbonylContact O-C 3.55Å; T271-C376 WeakPolarHBondContact O-CA 3.37Å; T271-M377 PolarHBondContact N-O 3.24Å; T271-M377 PolarHBondContact O-N 3.38Å
272Y96.2Very high89.4Confident6 Ų644 Ų442%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-127.4135.7-176.7-176-96.1000111.7I234 S237 V275 M302 A374 C376I234-Y272 HydrophobicContact CG1-CD2 4.42Å; I234-Y272 HydrophobicContact CG1-CG 4.15Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.47Å; Y272-V275 HydrophobicContact CD1-CG2 3.79Å; Y272-V275 HydrophobicContact CE1-CG2 4.4Å; Y272-M302 VanDerWaalsContact CB-CE 3.43Å; Y272-A374 HydrophobicContact CE2-CB 4.1Å; Y272-A374 WeakPolarHBondContact OH-CB 3.17Å; Y272-C376 HydrophobicContact CD2-CB 4.09Å
273A95.9Very high88.2Confident0 Ų046.3 Ų46.30%023%0.23CC..EExtended strand (participates in β ladder)trans-146.4145.8175.400000111.4A294 A374 V375A273-A294 HydrophobicContact CB-CB 3.74Å; A273-A374 CarbonylContact O-C 3.59Å; A273-A374 WeakPolarHBondContact O-CA 3.43Å; A273-V375 HydrophobicContact CB-CG1 4.26Å; A273-V375 PolarHBondContact N-O 3.03Å; A273-V375 PolarHBondContact O-N 3.18Å
274P94.4Very high86.9Confident13 Ų1348 Ų488%0.08423%0.229CC..  cis-89.4153.1-3.637.4-34.9000112.1I276 L286 I291 V371P274-I276 HydrophobicContact CB-CD1 3.93Å; P274-I276 HydrophobicContact CB-CG1 4.03Å; P274-I276 HydrophobicContact CG-CD1 4.11Å; P274-L286 HydrophobicContact CB-CD1 3.43Å; P274-L286 VanDerWaalsContact CB-CD1 3.43Å; P274-L286 HydrophobicContact CG-CD1 4.01Å; P274-I291 HydrophobicContact CB-CG2 4.34Å; P274-I291 HydrophobicContact CG-CG2 4.2Å; P274-V371 HydrophobicContact CG-CG1 4.12Å
275V93.4Very high86Confident8 Ų852.6 Ų52.65%0.04825%0.254CS..  trans-110.8106.6168.9179.60000107.1I212 N216 L217 L230 Y272 L368I212-V275 HydrophobicContact CG2-CB 4.15Å; I212-V275 HydrophobicContact CG2-CG1 3.71Å; I212-V275 HydrophobicContact CG2-CG2 4.12Å; N216-V275 HydrophobicContact CB-CB 4.22Å; N216-V275 HydrophobicContact CB-CG1 3.85Å; N216-V275 WeakPolarHBondContact CB-O 3.06Å; N216-V275 PolarHBondContact ND2-O 2.86Å; L217-V275 HydrophobicContact CD1-CG1 4.5Å; L217-V275 HydrophobicContact CD2-CG1 3.66Å; L217-V275 HydrophobicContact CG-CG1 4.05Å; L230-V275 HydrophobicContact CD1-CG1 4.41Å; L230-V275 HydrophobicContact CD1-CG2 4.07Å; Y272-V275 HydrophobicContact CD1-CG2 3.79Å; Y272-V275 HydrophobicContact CE1-CG2 4.4Å; V275-L368 HydrophobicContact CG1-CD2 3.87Å
276I91.9Very high85.8Confident31 Ų3154.5 Ų54.516%0.15926%0.264CS..  trans-129.3133.1-174.2-57.8172000109.1P274 K280 L286 A369 V371P274-I276 HydrophobicContact CB-CD1 3.93Å; P274-I276 HydrophobicContact CB-CG1 4.03Å; P274-I276 HydrophobicContact CG-CD1 4.11Å; I276-K280 HydrophobicContact CG2-CB 4.02Å; I276-L286 HydrophobicContact CD1-CD1 3.98Å; I276-A369 HydrophobicContact CB-CB 4.2Å; I276-A369 HydrophobicContact CG2-CB 4.1Å; I276-A369 PolarHBondContact O-N 3.06Å; I276-V371 HydrophobicContact CD1-CG1 4.36Å
277S91.1Very high85.7Confident9 Ų956.6 Ų56.66%0.06328%0.279CS..BIsolated β-bridgetrans-58.9139.9172.6177.80000112N216 E279 K280 D367N216-S277 PolarHBondContact O-N 3.11Å; S277-E279 PolarHBondContact O-N 3.31Å; S277-E279 PolarHBondContact OG-N 2.9Å; S277-K280 PolarHBondContact O-N 3.14Å; S277-D367 WeakPolarHBondContact CA-O 3.49Å
278A86.6Confident85.7Confident46 Ų4656.5 Ų56.538%0.3828%0.279SS..G310 helixtrans-53.1-27.6174.100000113.5D367A278-D367 PolarHBondContact N-O 3.05Å
279E82.6Confident85.9Confident165 Ų16558.5 Ų58.577%0.77130%0.295SS*.G310 helixtrans-73.7-27.9177.7-59.8-171.2165.600113.3S277S277-E279 PolarHBondContact O-N 3.31Å; S277-E279 PolarHBondContact OG-N 2.9Å
280K80.1Confident86Confident100 Ų10063.2 Ų63.244%0.43532%0.317SS..G310 helixtrans-94.91.7-175.4-68.3174.71771640113.4D218 I276 S277 Y282 H283D218-K280 IonicContact OD1-NZ 3.42Å; D218-K280 PolarHBondContact OD1-NZ 2.87Å; D218-K280 WeakPolarHBondContact OD2-CE 3.48Å; D218-K280 IonicContact OD2-NZ 3.83Å; D218-K280 PolarHBondContact OD2-NZ 2.92Å; I276-K280 HydrophobicContact CG2-CB 4.02Å; S277-K280 PolarHBondContact O-N 3.14Å; K280-Y282 PolarHBondContact O-N 3.39Å; K280-Y282 VanDerWaalsContact O-N 3.07Å; K280-H283 PolarHBondContact O-N 3.44Å
281A67.3Low86.1Confident38 Ų3863.2 Ų63.231%0.31432%0.317SS..THydrogen-bonded Turntrans-57.1-27.1-170.900000115.6A369A281-A369 HydrophobicContact CB-CB 3.53Å
282Y64.8Low86.2Confident214 Ų21463.2 Ų63.284%0.83932%0.317SS*.THydrogen-bonded Turntrans-86.4-8.7-173.3-64.7-79.5000114.5K280K280-Y282 PolarHBondContact O-N 3.39Å; K280-Y282 VanDerWaalsContact O-N 3.07Å
283H62.8Low86.1Confident156 Ų15665.1 Ų65.172%0.72233%0.327SS*.THydrogen-bonded Turntrans-96.7-25.3-167.5-69.9-63.8000114.2K280K280-H283 PolarHBondContact O-N 3.44Å
284E64Low86Confident137 Ų13766.2 Ų66.264%0.6434%0.337SS*.  trans-145.5118.5-171.9-64.3-178.4179.500112.5
285Q75.1Confident86.1Confident170 Ų17065.6 Ų65.679%0.79433%0.333SS*.  trans-96.1109.1161.8-72.2-166.3-8.700108.4
286L89.1Confident86.1Confident45 Ų4566.1 Ų66.124%0.23633%0.334CS..  trans-76.8134.4179.7-62.8169.4000110.8P274 I276 E290 I291 R373P274-L286 HydrophobicContact CB-CD1 3.43Å; P274-L286 VanDerWaalsContact CB-CD1 3.43Å; P274-L286 HydrophobicContact CG-CD1 4.01Å; I276-L286 HydrophobicContact CD1-CD1 3.98Å; L286-E290 HydrophobicContact CB-CB 4.36Å; L286-E290 HydrophobicContact CD2-CB 4.2Å; L286-I291 HydrophobicContact CB-CG2 3.62Å; L286-I291 HydrophobicContact CD1-CG2 4.11Å; L286-R373 WeakPolarHBondContact O-CD 3.31Å
287S94.5Very high86.1Confident46 Ų4668.6 Ų68.632%0.32235%0.345SS..  trans-70.6164.517366.90000111.7A289 E290 I291S287-A289 VanDerWaalsContact C-N 3.26Å; S287-A289 PolarHBondContact O-N 3.04Å; S287-E290 VanDerWaalsContact CB-OE2 3.27Å; S287-E290 WeakPolarHBondContact CB-OE2 3.22Å; S287-E290 PolarHBondContact N-OE2 3.32Å; S287-E290 PolarHBondContact O-N 3.29Å; S287-E290 VanDerWaalsContact OG-CD 3.31Å; S287-E290 WeakPolarHBondContact OG-CG 3.4Å; S287-E290 PolarHBondContact OG-N 2.72Å; S287-E290 PolarHBondContact OG-OE2 2.91Å; S287-I291 PolarHBondContact O-N 2.93Å; S287-I291 VanDerWaalsContact O-N 3.16Å
288V95.6Very high86.1Confident2 Ų270.1 Ų70.11%0.01236%0.355CS..Hα-helixtrans-56.6-44.7174.5176.50000110.1E290 I291 T292 Y319 V323 D327 V328V288-E290 PolarHBondContact O-N 3.29Å; V288-I291 WeakPolarHBondContact O-CG1 3.31Å; V288-I291 PolarHBondContact O-N 3.2Å; V288-T292 WeakPolarHBondContact O-CB 3.04Å; V288-T292 PolarHBondContact O-N 3.25Å; V288-T292 PolarHBondContact O-OG1 3.21Å; V288-Y319 HydrophobicContact CG1-CE1 3.94Å; V288-V323 HydrophobicContact CG1-CG1 4.48Å; V288-V323 HydrophobicContact CG2-CG1 4.06Å; V288-V323 HydrophobicContact CG2-CG2 4.47Å; V288-D327 HydrophobicContact CB-CB 4.11Å; V288-D327 HydrophobicContact CG1-CB 4.38Å; V288-D327 HydrophobicContact CG2-CB 4.19Å; V288-V328 HydrophobicContact CG1-CB 4.48Å; V288-V328 HydrophobicContact CG1-CG2 3.79Å
289A96.1Very high86.3Confident41 Ų4170.1 Ų70.134%0.33936%0.355SS..Hα-helixtrans-61.9-39.618000000113.1S287 N293 A331S287-A289 VanDerWaalsContact C-N 3.26Å; S287-A289 PolarHBondContact O-N 3.04Å; A289-N293 WeakPolarHBondContact O-CB 3.08Å; A289-N293 VanDerWaalsContact O-CG 3.31Å; A289-N293 PolarHBondContact O-N 3.33Å; A289-N293 PolarHBondContact O-ND2 3.13Å; A289-A331 HydrophobicContact CB-CB 4.24Å
290E95.3Very high86.9Confident99 Ų9963.1 Ų63.146%0.46332%0.323SS..Hα-helixtrans-66.4-46.7178.8-74.3160.9139.600111.8L286 S287 V288 T292 N293 A294L286-E290 HydrophobicContact CB-CB 4.36Å; L286-E290 HydrophobicContact CD2-CB 4.2Å; S287-E290 VanDerWaalsContact CB-OE2 3.27Å; S287-E290 WeakPolarHBondContact CB-OE2 3.22Å; S287-E290 PolarHBondContact N-OE2 3.32Å; S287-E290 PolarHBondContact O-N 3.29Å; S287-E290 VanDerWaalsContact OG-CD 3.31Å; S287-E290 WeakPolarHBondContact OG-CG 3.4Å; S287-E290 PolarHBondContact OG-N 2.72Å; S287-E290 PolarHBondContact OG-OE2 2.91Å; V288-E290 PolarHBondContact O-N 3.29Å; E290-T292 PolarHBondContact O-N 2.64Å; E290-N293 PolarHBondContact O-N 2.79Å; E290-A294 WeakPolarHBondContact O-CB 3.43Å; E290-A294 PolarHBondContact O-N 3.3Å
291I96.1Very high87.5Confident1 Ų158.6 Ų58.61%0.00530%0.303CS..Hα-helixtrans-67.6-35.9178.467.9174.8000111.7P274 L286 S287 V288 A294 C295 Y319 R373 V375P274-I291 HydrophobicContact CB-CG2 4.34Å; P274-I291 HydrophobicContact CG-CG2 4.2Å; L286-I291 HydrophobicContact CB-CG2 3.62Å; L286-I291 HydrophobicContact CD1-CG2 4.11Å; S287-I291 PolarHBondContact O-N 2.93Å; S287-I291 VanDerWaalsContact O-N 3.16Å; V288-I291 WeakPolarHBondContact O-CG1 3.31Å; V288-I291 PolarHBondContact O-N 3.2Å; I291-A294 WeakPolarHBondContact O-CB 3.18Å; I291-A294 PolarHBondContact O-N 3.25Å; I291-C295 PolarHBondContact O-N 3.12Å; I291-Y319 HydrophobicContact CD1-CD1 4.26Å; I291-Y319 HydrophobicContact CD1-CE1 4.26Å; I291-Y319 HydrophobicContact CG1-CE1 4.47Å; I291-R373 HydrophobicContact CD1-CB 4.34Å; I291-R373 HydrophobicContact CD1-CG 4.04Å; I291-V375 HydrophobicContact CB-CG1 3.87Å; I291-V375 HydrophobicContact CD1-CB 4.23Å; I291-V375 HydrophobicContact CD1-CG1 3.91Å; I291-V375 HydrophobicContact CG1-CG1 3.77Å
292T96.4Very high88.7Confident0 Ų056.8 Ų56.80%029%0.288CS..Hα-helixtrans-64.5-42174.2-50.60000111.2V288 E290 A294 C295 F296 L317 Y319 A331 I335V288-T292 WeakPolarHBondContact O-CB 3.04Å; V288-T292 PolarHBondContact O-N 3.25Å; V288-T292 PolarHBondContact O-OG1 3.21Å; E290-T292 PolarHBondContact O-N 2.64Å; T292-A294 VanDerWaalsContact C-N 3.32Å; T292-C295 WeakPolarHBondContact O-CB 3.26Å; T292-C295 PolarHBondContact O-N 3.34Å; T292-F296 WeakPolarHBondContact O-CD2 3.48Å; T292-L317 HydrophobicContact CG2-CD1 4.24Å; T292-Y319 WeakPolarHBondContact CG2-OH 3.21Å; T292-Y319 PolarHBondContact OG1-OH 3.37Å; T292-A331 HydrophobicContact CG2-CB 4.15Å; T292-I335 HydrophobicContact CG2-CG1 4.02Å
293N94.7Very high90Very high46 Ų4646.7 Ų46.725%0.24625%0.248CC..Hα-helixtrans-63-40.9175.7-80.3-57.5000111.6A289 E290 C295 F296 I335 K338A289-N293 WeakPolarHBondContact O-CB 3.08Å; A289-N293 VanDerWaalsContact O-CG 3.31Å; A289-N293 PolarHBondContact O-N 3.33Å; A289-N293 PolarHBondContact O-ND2 3.13Å; E290-N293 PolarHBondContact O-N 2.79Å; N293-C295 PolarHBondContact O-N 3.14Å; N293-F296 PolarHBondContact O-N 3.12Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.47Å; N293-K338 WeakPolarHBondContact OD1-CE 3.38Å; N293-K338 PolarHBondContact OD1-NZ 3.47Å
294A95.1Very high91.4Very high24 Ų2442.4 Ų42.420%0.19823%0.228CC..Hα-helixtrans-61.1-27178.400000113.1A273 E290 I291 T292 F296 E297 N300A273-A294 HydrophobicContact CB-CB 3.74Å; E290-A294 WeakPolarHBondContact O-CB 3.43Å; E290-A294 PolarHBondContact O-N 3.3Å; I291-A294 WeakPolarHBondContact O-CB 3.18Å; I291-A294 PolarHBondContact O-N 3.25Å; T292-A294 VanDerWaalsContact C-N 3.32Å; A294-F296 PolarHBondContact O-N 3.24Å; A294-E297 PolarHBondContact O-N 2.84Å; A294-N300 PolarHBondContact O-ND2 2.92Å
295C95.1Very high92.7Very high0 Ų036.5 Ų36.50%020%0.201CC..THydrogen-bonded Turntrans-65.5-21.7173-68.50000114.1T271 I291 T292 N293 V375 M377T271-C295 HydrophobicContact CG2-CB 4.33Å; T271-C295 WeakPolarHBondContact CG2-O 3.46Å; I291-C295 PolarHBondContact O-N 3.12Å; T292-C295 WeakPolarHBondContact O-CB 3.26Å; T292-C295 PolarHBondContact O-N 3.34Å; N293-C295 PolarHBondContact O-N 3.14Å; C295-V375 WeakPolarHBondContact SG-CG1 3.39Å; C295-M377 HydrophobicContact CB-CB 3.82Å; C295-M377 HydrophobicContact CB-CE 4.21Å; C295-M377 HydrophobicContact CB-CG 4.43Å; C295-M377 HydrophobicContact CB-SD 3.8Å; C295-M377 WeakPolarHBondContact O-CE 3.42Å
296F93Very high93.4Very high19 Ų1930.2 Ų30.28%0.08317%0.174CC..THydrogen-bonded Turntrans-98.24.3178.2-68.4-82.4000112.8T292 N293 A294 I335 I341 F351 M377T292-F296 WeakPolarHBondContact O-CD2 3.48Å; N293-F296 PolarHBondContact O-N 3.12Å; A294-F296 PolarHBondContact O-N 3.24Å; F296-I335 HydrophobicContact CD2-CD1 3.72Å; F296-I335 HydrophobicContact CD2-CG1 4.18Å; F296-I335 HydrophobicContact CD2-CG2 4Å; F296-I335 HydrophobicContact CE1-CG2 4.36Å; F296-I335 HydrophobicContact CE2-CD1 4.17Å; F296-I335 HydrophobicContact CE2-CG1 4.12Å; F296-I335 HydrophobicContact CE2-CG2 3.58Å; F296-I335 HydrophobicContact CG-CD1 4.48Å; F296-I335 HydrophobicContact CZ-CG2 3.79Å; F296-I341 HydrophobicContact CB-CD1 4.19Å; F296-I341 HydrophobicContact CD1-CD1 3.48Å; F296-I341 VanDerWaalsContact CD1-CD1 3.48Å; F296-I341 HydrophobicContact CD1-CG1 4.02Å; F296-I341 HydrophobicContact CD2-CD1 4.27Å; F296-I341 HydrophobicContact CE1-CD1 3.9Å; F296-I341 HydrophobicContact CE1-CG1 4.5Å; F296-I341 HydrophobicContact CE1-CG2 4.27Å; F296-I341 HydrophobicContact CG-CD1 3.69Å; F296-I341 HydrophobicContact CZ-CD1 4.47Å; F296-F351 HydrophobicContact CE1-CZ 4.35Å; F296-F351 HydrophobicContact CE2-CE1 4.25Å; F296-F351 HydrophobicContact CE2-CZ 4.44Å; F296-F351 AromaticContact CZ-CE1 3.61Å; F296-F351 HydrophobicContact CZ-CE1 3.61Å; F296-F351 AromaticContact CZ-CZ 3.65Å; F296-F351 HydrophobicContact CZ-CZ 3.65Å; F296-M377 HydrophobicContact CD1-CE 4.36Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.36Å; F296-M377 HydrophobicContact CE1-CE 4.17Å; F296-M377 HydrophobicContact CE1-SD 3.68Å; F296-M377 HydrophobicContact CE2-SD 3.75Å; F296-M377 HydrophobicContact CZ-CE 4.42Å; F296-M377 HydrophobicContact CZ-SD 3.36Å; F296-M377 WeakPolarHBondContact CZ-SD 3.45Å
297E92.3Very high93.5Very high83 Ų8328.3 Ų28.339%0.38816%0.164SC..SBendtrans-87123.7172.6-66-58.7153.800109.7A294 A299 N300 R308A294-E297 PolarHBondContact O-N 2.84Å; E297-A299 PolarHBondContact O-N 2.88Å; E297-N300 PolarHBondContact O-N 3.44Å; E297-R308 IonicContact OE2-NH2 3.7Å
298P91.3Very high93.2Very high41 Ų4132.5 Ų32.527%0.26617%0.172SC..G310 helixtrans-54.1-27179.7-2835.3000113.9N300 Q301P298-N300 PolarHBondContact O-N 3.47Å; P298-N300 VanDerWaalsContact O-N 3.17Å; P298-Q301 WeakPolarHBondContact O-CB 3.38Å; P298-Q301 PolarHBondContact O-N 3.05Å
299A92.3Very high92.9Very high45 Ų4539.3 Ų39.337%0.37220%0.204SC..G310 helixtrans-67.8-12.6-179.300000114R215 E297R215-A299 VanDerWaalsContact CZ-O 3.28Å; R215-A299 PolarHBondContact NH1-O 2.79Å; R215-A299 PolarHBondContact NH2-O 3.11Å; E297-A299 PolarHBondContact O-N 2.88Å
300N93.9Very high92.7Very high19 Ų1937.6 Ų37.610%0.10219%0.191CC..G310 helixtrans-108.21.4178-61.1-39.9000113T271 A294 E297 P298T271-N300 HydrophobicContact CG2-CB 3.89Å; T271-N300 VanDerWaalsContact CG2-O 3.32Å; T271-N300 WeakPolarHBondContact CG2-O 3.1Å; A294-N300 PolarHBondContact O-ND2 2.92Å; E297-N300 PolarHBondContact O-N 3.44Å; P298-N300 PolarHBondContact O-N 3.47Å; P298-N300 VanDerWaalsContact O-N 3.17Å
301Q93.5Very high92.5Very high5 Ų534 Ų342%0.02317%0.173CC..BIsolated β-bridgetrans-74.9147-176.8-69.1172.4-1.500111.1A208 L269 T271 P298 V303 C305A208-Q301 WeakPolarHBondContact CB-O 3.38Å; L269-Q301 HydrophobicContact CD1-CB 4.29Å; L269-Q301 HydrophobicContact CD2-CB 4.33Å; L269-Q301 HydrophobicContact CD2-CG 3.95Å; T271-Q301 HydrophobicContact CG2-CG 4.25Å; T271-Q301 WeakPolarHBondContact OG1-CG 3.39Å; P298-Q301 WeakPolarHBondContact O-CB 3.38Å; P298-Q301 PolarHBondContact O-N 3.05Å; Q301-V303 VanDerWaalsContact C-N 3.34Å; Q301-C305 PolarHBondContact OE1-O 2.82Å
302M91.9Very high92.3Very high0 Ų034.1 Ų34.10%017%0.174CC..SBendtrans-88-4.9-179.1-56.1-54.9161.600113.1D205 I209 I212 I234 A270 Y272D205-M302 WeakPolarHBondContact CA-O 3.47Å; D205-M302 VanDerWaalsContact CB-O 3.24Å; D205-M302 WeakPolarHBondContact CB-O 3.23Å; D205-M302 PolarHBondContact N-O 3.16Å; I209-M302 HydrophobicContact CD1-CB 4.23Å; I209-M302 HydrophobicContact CD1-CG 4.22Å; I209-M302 HydrophobicContact CD1-SD 3.12Å; I209-M302 WeakPolarHBondContact CD1-SD 3.38Å; I212-M302 HydrophobicContact CD1-CE 4.14Å; I212-M302 HydrophobicContact CD1-SD 3.94Å; I234-M302 HydrophobicContact CD1-CE 3.3Å; I234-M302 HydrophobicContact CD1-CG 3.87Å; I234-M302 HydrophobicContact CD1-SD 3.36Å; I234-M302 WeakPolarHBondContact CD1-SD 3.33Å; I234-M302 HydrophobicContact CG1-CE 3.96Å; A270-M302 HydrophobicContact CB-CB 4.24Å; A270-M302 HydrophobicContact CB-CG 3.98Å; A270-M302 VanDerWaalsContact O-CB 3.3Å; A270-M302 WeakPolarHBondContact O-CB 3.42Å; A270-M302 WeakPolarHBondContact O-CG 3.38Å; A270-M302 PolarHBondContact O-N 3.23Å; Y272-M302 VanDerWaalsContact CB-CE 3.43Å
303V92.7Very high92.1Very high1 Ų134.3 Ų34.31%0.00618%0.175CC..SBendtrans-130135.6170.9-177.40000107.8M203 D205 L269 Q301 C305 A387M203-V303 HydrophobicContact CB-CG2 3.81Å; M203-V303 VanDerWaalsContact O-CG2 3.3Å; M203-V303 WeakPolarHBondContact O-CG2 3.47Å; D205-V303 HydrophobicContact CB-CB 4.33Å; D205-V303 HydrophobicContact CB-CG1 4.35Å; D205-V303 HydrophobicContact CB-CG2 4.4Å; L269-V303 HydrophobicContact CD1-CB 3.53Å; L269-V303 HydrophobicContact CD1-CG2 3.85Å; Q301-V303 VanDerWaalsContact C-N 3.34Å; V303-C305 PolarHBondContact O-N 2.88Å; V303-A387 HydrophobicContact CG1-CB 3.85Å
304K91.6Very high91.9Very high66 Ų6632.4 Ų32.429%0.28717%0.166SC..  trans-72.499.4174.1-74-166.4169-171.60110.6D205 E207 A208 D211 R390D205-K304 PolarHBondContact OD2-N 3.27Å; E207-K304 HydrophobicContact CB-CD 4.24Å; E207-K304 VanDerWaalsContact CD-NZ 3.32Å; E207-K304 HydrophobicContact CG-CD 4.08Å; E207-K304 IonicContact OE1-NZ 3.97Å; E207-K304 PolarHBondContact OE1-NZ 2.98Å; A208-K304 HydrophobicContact CB-CG 4.11Å; D211-K304 WeakPolarHBondContact OD2-CE 3.36Å; D211-K304 IonicContact OD2-NZ 3.62Å; D211-K304 PolarHBondContact OD2-NZ 3.13Å; K304-R390 VanDerWaalsContact O-CZ 3.23Å; K304-R390 PolarHBondContact O-NH1 3.31Å; K304-R390 PolarHBondContact O-NH2 3.5Å
305C91.3Very high91.7Very high13 Ų1331.3 Ų31.39%0.08816%0.156CC..  trans-146.2168.4163.654.70000108.6Q301 V303 P307 A383 E386Q301-C305 PolarHBondContact OE1-O 2.82Å; V303-C305 PolarHBondContact O-N 2.88Å; C305-P307 WeakPolarHBondContact O-CD 3.31Å; C305-A383 HydrophobicContact CB-CB 4.33Å; C305-A383 WeakPolarHBondContact CB-O 3.46Å; C305-E386 WeakPolarHBondContact CA-OE2 3.14Å; C305-E386 HydrophobicContact CB-CB 4.29Å
306D90.8Very high91.5Very high39 Ų3931.8 Ų31.821%0.20916%0.16CC..  trans-106.5100.3169.4-167.8-12.6000111.2R308 H309 A383 E386D306-R308 PolarHBondContact O-N 3.17Å; D306-R308 WeakPolarHBondContact OD1-CB 3.49Å; D306-R308 WeakPolarHBondContact OD1-CD 3.36Å; D306-R308 WeakPolarHBondContact OD1-CG 3.42Å; D306-R308 PolarHBondContact OD1-N 2.91Å; D306-H309 PolarHBondContact O-N 2.89Å; D306-H309 IonicContact OD2-CE1 3.74Å; D306-H309 IonicContact OD2-NE2 2.68Å; D306-A383 WeakPolarHBondContact O-CB 3.39Å; D306-E386 PolarHBondContact N-OE2 3.28Å; D306-E386 VanDerWaalsContact N-OE2 3.11Å
307P89.8Confident91.6Very high5 Ų530.9 Ų30.93%0.03216%0.156CC..THydrogen-bonded Turntrans-64-5.8178.2-31.243.3000115.6L269 C305 H309 G310 Y312 T381 A383L269-P307 HydrophobicContact CD2-CG 4.06Å; C305-P307 WeakPolarHBondContact O-CD 3.31Å; P307-H309 VanDerWaalsContact C-N 3.27Å; P307-G310 PolarHBondContact O-N 3.22Å; P307-Y312 HydrophobicContact CB-CE2 4.26Å; P307-Y312 VanDerWaalsContact CB-OH 3.24Å; P307-Y312 WeakPolarHBondContact CB-OH 3.37Å; P307-T381 HydrophobicContact CG-CG2 4.48Å; P307-A383 HydrophobicContact CB-CB 4.39Å; P307-A383 HydrophobicContact CG-CB 4.37Å
308R89.3Confident91.6Very high133 Ų13327.5 Ų27.550%0.50214%0.14SC..THydrogen-bonded Turntrans-74.8-20.7172.1-58.3166.3-175.4171.52112.1E297 D306E297-R308 IonicContact OE2-NH2 3.7Å; D306-R308 PolarHBondContact O-N 3.17Å; D306-R308 WeakPolarHBondContact OD1-CB 3.49Å; D306-R308 WeakPolarHBondContact OD1-CD 3.36Å; D306-R308 WeakPolarHBondContact OD1-CG 3.42Å; D306-R308 PolarHBondContact OD1-N 2.91Å
309H89.1Confident91.8Very high145 Ų14525.6 Ų25.667%0.67113%0.128SC*.SBendtrans-92.9-1.9174.3-55.9146.7000112.9D306 P307 E386D306-H309 PolarHBondContact O-N 2.89Å; D306-H309 IonicContact OD2-CE1 3.74Å; D306-H309 IonicContact OD2-NE2 2.68Å; P307-H309 VanDerWaalsContact C-N 3.27Å; H309-E386 IonicContact ND1-OE1 3.78Å
310G90.7Very high91.8Very high6 Ų623.7 Ų23.76%0.06211%0.111CC..SBendtrans-117178.6177.700000112.8P307 T382P307-G310 PolarHBondContact O-N 3.22Å; G310-T382 VanDerWaalsContact CA-OG1 3.3Å; G310-T382 WeakPolarHBondContact CA-OG1 3.25Å
311K91.8Very high91.7Very high22 Ų2222.8 Ų22.810%0.09611%0.106CC..  trans-114.3144.9171.9-66.2-178-179.6169.80109.8Q342 V344 T381 T382 G436 D438K311-Q342 CarbonylContact C-O 3.57Å; K311-Q342 WeakPolarHBondContact CA-O 3.45Å; K311-V344 HydrophobicContact CB-CG1 3.78Å; K311-V344 HydrophobicContact CD-CG1 4.38Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.37Å; K311-T381 PolarHBondContact O-OG1 3.21Å; K311-T382 PolarHBondContact N-OG1 3Å; K311-T382 PolarHBondContact O-N 3.47Å; K311-G436 WeakPolarHBondContact CD-O 3.48Å; K311-G436 WeakPolarHBondContact CE-O 3.44Å; K311-G436 PolarHBondContact NZ-O 3.14Å; K311-D438 IonicContact NZ-OD1 2.86Å; K311-D438 PolarHBondContact NZ-OD1 3.13Å; K311-D438 IonicContact NZ-OD2 3.38Å; K311-D438 PolarHBondContact NZ-OD2 2.95Å
312Y92.1Very high91.7Very high5 Ų526.6 Ų26.62%0.0213%0.127CC..EExtended strand (participates in β ladder)trans-85.8127.6173.9-71.9-87.6000109.9P307 I341 Q342 F343 V344P307-Y312 HydrophobicContact CB-CE2 4.26Å; P307-Y312 VanDerWaalsContact CB-OH 3.24Å; P307-Y312 WeakPolarHBondContact CB-OH 3.37Å; Y312-I341 HydrophobicContact CD2-CG2 4.02Å; Y312-I341 HydrophobicContact CE2-CG2 4.07Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.25Å; Y312-Q342 PolarHBondContact N-O 3.08Å; Y312-F343 VanDerWaalsContact O-CA 3.25Å; Y312-F343 WeakPolarHBondContact O-CA 3.5Å; Y312-F343 WeakPolarHBondContact O-CD1 3.47Å; Y312-V344 PolarHBondContact O-N 3.26Å
313M91.8Very high91.8Very high3 Ų326.8 Ų26.82%0.01513%0.128CC..EExtended strand (participates in β ladder)trans-92.7-37.4171.3-66.5166.3-88.300111.2P261 I265 V344 W346 C347 N380 T382 Y432 V435P261-M313 HydrophobicContact CG-CB 4.05Å; P261-M313 HydrophobicContact CG-CG 4.37Å; P261-M313 HydrophobicContact CG-SD 3.84Å; I265-M313 HydrophobicContact CG2-CE 3.62Å; I265-M313 HydrophobicContact CG2-SD 3.75Å; M313-V344 HydrophobicContact CG-CG1 4.04Å; M313-V344 HydrophobicContact CG-CG2 4.4Å; M313-W346 HydrophobicContact CB-CH2 4.06Å; M313-W346 HydrophobicContact CG-CH2 4.01Å; M313-W346 HydrophobicContact CG-CZ2 4.01Å; M313-C347 PolarHBondContact O-SG 3.29Å; M313-N380 HydrophobicContact CB-CB 4.46Å; M313-N380 HydrophobicContact CE-CB 4.35Å; M313-N380 WeakPolarHBondContact CE-OD1 3.18Å; M313-N380 PolarHBondContact N-O 2.79Å; M313-T382 HydrophobicContact CE-CG2 3.97Å; M313-Y432 HydrophobicContact CE-CE1 4.23Å; M313-V435 HydrophobicContact CG-CG1 3.93Å; M313-V435 HydrophobicContact SD-CG1 3.65Å
314A90.4Very high91.8Very high7 Ų730 Ų306%0.05815%0.147CC..EExtended strand (participates in β ladder)trans-151.4149.5-179.300000111.1N258 L259 S379 N380N258-A314 WeakPolarHBondContact O-CB 3.45Å; L259-A314 HydrophobicContact CD2-CB 4.28Å; A314-S379 CarbonylContact O-C 3.51Å; A314-S379 VanDerWaalsContact O-CA 3.24Å; A314-S379 WeakPolarHBondContact O-CA 3.24Å; A314-N380 HydrophobicContact CB-CB 4.27Å; A314-N380 PolarHBondContact N-O 3.4Å; A314-N380 PolarHBondContact O-N 3.1Å
315C91.8Very high91.8Very high1 Ų129.7 Ų29.71%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-143.6122175.7-172.90000110.6F343 G350 F351 K352 M377 L378C315-F343 HydrophobicContact CB-CE1 4.31Å; C315-F343 HydrophobicContact CB-CZ 4.08Å; C315-G350 CarbonylContact C-O 3.55Å; C315-G350 WeakPolarHBondContact CA-O 3.23Å; C315-G350 WeakPolarHBondContact CB-O 3.47Å; C315-G350 PolarHBondContact N-O 3.1Å; C315-F351 HydrophobicContact CB-CD1 4Å; C315-F351 HydrophobicContact CB-CE1 4.02Å; C315-F351 HydrophobicContact CB-CG 4.44Å; C315-F351 HydrophobicContact CB-CZ 4.44Å; C315-F351 CarbonylContact O-C 3.51Å; C315-F351 VanDerWaalsContact O-CA 3.27Å; C315-F351 WeakPolarHBondContact O-CA 3.49Å; C315-F351 WeakPolarHBondContact SG-CE1 3.26Å; C315-K352 PolarHBondContact O-N 3.46Å; C315-M377 VanDerWaalsContact SG-SD 3.62Å; C315-L378 CarbonylContact C-O 3.52Å; C315-L378 WeakPolarHBondContact CA-O 3.49Å
316C91.4Very high92Very high10 Ų1036.9 Ų36.97%0.06818%0.181CC..EExtended strand (participates in β ladder)trans-114.8129.2173.3-64.30000109.3L259 K352 M377 L378L259-C316 HydrophobicContact CD2-CB 4.05Å; L259-C316 WeakPolarHBondContact CD2-SG 3.34Å; C316-K352 CarbonylContact C-O 3.58Å; C316-K352 WeakPolarHBondContact CA-O 3.23Å; C316-K352 HydrophobicContact CB-CB 4.33Å; C316-M377 CarbonylContact O-C 3.55Å; C316-M377 VanDerWaalsContact O-CA 3.3Å; C316-M377 WeakPolarHBondContact O-CA 3.38Å; C316-L378 HydrophobicContact CB-CB 4.31Å; C316-L378 PolarHBondContact N-O 2.72Å; C316-L378 PolarHBondContact O-N 3.19Å
317L93.2Very high92.2Very high0 Ų038.5 Ų38.50%019%0.19CC..EExtended strand (participates in β ladder)trans-110111.7175.2-67.9165.1000109.1T292 Y319 I332 F351 K352 V353 G354 V375 M377T292-L317 HydrophobicContact CG2-CD1 4.24Å; L317-Y319 HydrophobicContact CB-CD2 4.22Å; L317-Y319 HydrophobicContact CB-CE2 3.55Å; L317-Y319 HydrophobicContact CD1-CE2 4.33Å; L317-Y319 HydrophobicContact CG-CE2 4.47Å; L317-I332 HydrophobicContact CD1-CD1 3.83Å; L317-I332 HydrophobicContact CD1-CG1 3.76Å; L317-F351 HydrophobicContact CD1-CD1 3.75Å; L317-F351 HydrophobicContact CD1-CE1 3.95Å; L317-F351 HydrophobicContact CG-CD1 4.35Å; L317-K352 PolarHBondContact N-O 3.36Å; L317-V353 WeakPolarHBondContact O-CA 3.25Å; L317-G354 PolarHBondContact O-N 3.2Å; L317-V375 HydrophobicContact CB-CG2 4.29Å; L317-V375 HydrophobicContact CD2-CG2 3.94Å; L317-M377 HydrophobicContact CD2-CB 3.75Å; L317-M377 HydrophobicContact CD2-CG 3.68Å; L317-M377 HydrophobicContact CD2-SD 4.07Å
318L93.3Very high92.4Very high11 Ų1138.3 Ų38.36%0.05819%0.189CC..EExtended strand (participates in β ladder)trans-102.695.6-179.2-56.8175.9000109.3F255 V375 C376 L378F255-L318 HydrophobicContact CE1-CD1 4.38Å; L318-V375 WeakPolarHBondContact O-CA 3.34Å; L318-C376 HydrophobicContact CB-CB 4.31Å; L318-C376 WeakPolarHBondContact CB-O 3.31Å; L318-C376 PolarHBondContact N-O 3.11Å; L318-C376 PolarHBondContact O-N 2.89Å; L318-L378 HydrophobicContact CD1-CD1 3.85Å; L318-L378 HydrophobicContact CD1-CG 4.39Å
319Y94.5Very high92.5Very high2 Ų237 Ų371%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-84.4144.3178.6-68-87.8000111.8V288 I291 T292 L317 V323 V328 V353 G354 I355 N356 A374 V375V288-Y319 HydrophobicContact CG1-CE1 3.94Å; I291-Y319 HydrophobicContact CD1-CD1 4.26Å; I291-Y319 HydrophobicContact CD1-CE1 4.26Å; I291-Y319 HydrophobicContact CG1-CE1 4.47Å; T292-Y319 WeakPolarHBondContact CG2-OH 3.21Å; T292-Y319 PolarHBondContact OG1-OH 3.37Å; L317-Y319 HydrophobicContact CB-CD2 4.22Å; L317-Y319 HydrophobicContact CB-CE2 3.55Å; L317-Y319 HydrophobicContact CD1-CE2 4.33Å; L317-Y319 HydrophobicContact CG-CE2 4.47Å; Y319-V323 HydrophobicContact CD1-CG1 3.98Å; Y319-V323 HydrophobicContact CD1-CG2 4.25Å; Y319-V323 HydrophobicContact CG-CG1 3.98Å; Y319-V328 HydrophobicContact CD1-CG2 4.44Å; Y319-V328 HydrophobicContact CD2-CG1 4.14Å; Y319-V328 HydrophobicContact CD2-CG2 4.03Å; Y319-V328 HydrophobicContact CE1-CG2 4.3Å; Y319-V328 HydrophobicContact CE2-CB 4.28Å; Y319-V328 HydrophobicContact CE2-CG1 3.4Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.4Å; Y319-V328 HydrophobicContact CE2-CG2 3.86Å; Y319-V328 HydrophobicContact CG-CG2 4.32Å; Y319-V353 HydrophobicContact CD2-CG1 4.11Å; Y319-V353 HydrophobicContact CE2-CG1 4.23Å; Y319-G354 PolarHBondContact N-O 3.48Å; Y319-I355 HydrophobicContact CD2-CG1 4.46Å; Y319-N356 PolarHBondContact O-N 3.41Å; Y319-A374 CarbonylContact C-O 3.55Å; Y319-A374 WeakPolarHBondContact CA-O 3.16Å; Y319-V375 HydrophobicContact CD1-CB 3.66Å; Y319-V375 HydrophobicContact CD1-CG2 3.83Å; Y319-V375 HydrophobicContact CD2-CG2 4.34Å; Y319-V375 HydrophobicContact CE1-CB 3.69Å; Y319-V375 HydrophobicContact CE1-CG1 4.31Å; Y319-V375 HydrophobicContact CE1-CG2 3.65Å; Y319-V375 HydrophobicContact CE2-CG2 4.18Å; Y319-V375 HydrophobicContact CG-CB 4.33Å; Y319-V375 HydrophobicContact CG-CG2 4.16Å
320R92.9Very high92.8Very high4 Ų432.7 Ų32.72%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-129.4140.5171.8-66.2-16665.5176.8-1111.4E27 S236 N356 P360 R373 A374E27-R320 IonicContact OE1-CZ 3.64Å; E27-R320 IonicContact OE1-NH1 3.24Å; E27-R320 PolarHBondContact OE1-NH1 2.81Å; E27-R320 IonicContact OE1-NH2 3.85Å; E27-R320 PolarHBondContact OE1-NH2 2.93Å; E27-R320 IonicContact OE2-NH1 3.58Å; E27-R320 IonicContact OE2-NH2 3.64Å; S236-R320 PolarHBondContact OG-NH1 3.14Å; R320-N356 CarbonylContact C-O 3.42Å; R320-N356 WeakPolarHBondContact CA-O 3.45Å; R320-N356 HydrophobicContact CG-CB 4.3Å; R320-P360 HydrophobicContact CB-CG 4.01Å; R320-R373 CarbonylContact O-C 3.57Å; R320-R373 WeakPolarHBondContact O-CA 3.2Å; R320-A374 PolarHBondContact N-O 2.92Å; R320-A374 PolarHBondContact O-N 3.23Å
321G92.6Very high93.1Very high0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans96.5-148.7173.500000114.8V323 N356 Q358 Q372G321-V323 VanDerWaalsContact C-N 3.34Å; G321-V323 PolarHBondContact O-N 3.25Å; G321-N356 PolarHBondContact N-O 3.42Å; G321-Q358 PolarHBondContact N-O 2.92Å; G321-Q358 VanDerWaalsContact N-O 3.1Å; G321-Q372 WeakPolarHBondContact CA-O 3.44Å
322D92.7Very high93.1Very high86 Ų8632.1 Ų32.146%0.4618%0.179SC..SBendtrans-73.384.9-177.7175.640000111Q372 R373D322-Q372 PolarHBondContact N-O 3.46Å; D322-R373 PolarHBondContact O-NE 3.08Å; D322-R373 PolarHBondContact O-NH2 3.3Å; D322-R373 IonicContact OD2-CZ 2.65Å; D322-R373 IonicContact OD2-NH2 2.87Å; D322-R373 PolarHBondContact OD2-NH2 3.1Å
323V93.3Very high93.1Very high3 Ų334.5 Ų34.52%0.01820%0.199CC..  trans-131.1120.1-175.21790000110.5V288 Y319 G321 V328 I355 R373V288-V323 HydrophobicContact CG1-CG1 4.48Å; V288-V323 HydrophobicContact CG2-CG1 4.06Å; V288-V323 HydrophobicContact CG2-CG2 4.47Å; Y319-V323 HydrophobicContact CD1-CG1 3.98Å; Y319-V323 HydrophobicContact CD1-CG2 4.25Å; Y319-V323 HydrophobicContact CG-CG1 3.98Å; G321-V323 VanDerWaalsContact C-N 3.34Å; G321-V323 PolarHBondContact O-N 3.25Å; V323-V328 HydrophobicContact CG1-CG2 3.35Å; V323-I355 HydrophobicContact CB-CG2 4.24Å; V323-I355 HydrophobicContact CG1-CD1 4.44Å; V323-I355 HydrophobicContact CG1-CG2 4.48Å; V323-R373 HydrophobicContact CG2-CB 3.8Å
324V93.1Very high93.2Very high69 Ų6938 Ų3842%0.41822%0.221SC..  trans-90.1126.2178-177.40000109.7K326 D327 V328V324-K326 HydrophobicContact CG1-CB 4.13Å; V324-K326 PolarHBondContact O-N 3.23Å; V324-K326 VanDerWaalsContact O-N 3.12Å; V324-D327 HydrophobicContact CB-CB 4.49Å; V324-D327 PolarHBondContact O-N 3.4Å; V324-V328 PolarHBondContact O-N 3.25Å
325P92.4Very high93.3Very high59 Ų5937.7 Ų37.738%0.38322%0.219SC..Hα-helixtrans-56.3-32.6-178-2733.1000114.6D327 V328 N329 I355P325-D327 VanDerWaalsContact C-N 3.33Å; P325-D327 PolarHBondContact O-N 3.3Å; P325-V328 PolarHBondContact O-N 3.05Å; P325-N329 PolarHBondContact O-N 2.91Å; P325-N329 PolarHBondContact O-ND2 3.02Å; P325-I355 HydrophobicContact CB-CD1 4.11Å; P325-I355 HydrophobicContact CG-CD1 3.87Å
326K94.4Very high93.1Very high164 Ų16442.8 Ų42.871%0.71324%0.241SC*.Hα-helixtrans-61.2-41.9175.9-175.9-175.1174.9-172.30112.1V324 V328 N329 A330V324-K326 HydrophobicContact CG1-CB 4.13Å; V324-K326 PolarHBondContact O-N 3.23Å; V324-K326 VanDerWaalsContact O-N 3.12Å; K326-V328 VanDerWaalsContact C-N 3.35Å; K326-N329 PolarHBondContact O-N 3.33Å; K326-A330 PolarHBondContact O-N 3.37Å
327D95.2Very high92.9Very high74 Ų7447.6 Ų47.640%0.39627%0.27SS..Hα-helixtrans-71.9-34.6-178.1-62.5-17000110.8V288 V324 P325 A330 A331V288-D327 HydrophobicContact CB-CB 4.11Å; V288-D327 HydrophobicContact CG1-CB 4.38Å; V288-D327 HydrophobicContact CG2-CB 4.19Å; V324-D327 HydrophobicContact CB-CB 4.49Å; V324-D327 PolarHBondContact O-N 3.4Å; P325-D327 VanDerWaalsContact C-N 3.33Å; P325-D327 PolarHBondContact O-N 3.3Å; D327-A330 PolarHBondContact O-N 3.47Å; D327-A331 WeakPolarHBondContact O-CB 3.5Å; D327-A331 PolarHBondContact O-N 3.16Å
328V94.3Very high92.7Very high1 Ų150.8 Ų50.81%0.00628%0.283CS..Hα-helixtrans-61.6-48.7172.3177.20000110.9V288 Y319 V323 V324 P325 K326 A330 A331 I332 V353 I355V288-V328 HydrophobicContact CG1-CB 4.48Å; V288-V328 HydrophobicContact CG1-CG2 3.79Å; Y319-V328 HydrophobicContact CD1-CG2 4.44Å; Y319-V328 HydrophobicContact CD2-CG1 4.14Å; Y319-V328 HydrophobicContact CD2-CG2 4.03Å; Y319-V328 HydrophobicContact CE1-CG2 4.3Å; Y319-V328 HydrophobicContact CE2-CB 4.28Å; Y319-V328 HydrophobicContact CE2-CG1 3.4Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.4Å; Y319-V328 HydrophobicContact CE2-CG2 3.86Å; Y319-V328 HydrophobicContact CG-CG2 4.32Å; V323-V328 HydrophobicContact CG1-CG2 3.35Å; V324-V328 PolarHBondContact O-N 3.25Å; P325-V328 PolarHBondContact O-N 3.05Å; K326-V328 VanDerWaalsContact C-N 3.35Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 3.12Å; V328-A331 PolarHBondContact O-N 3.31Å; V328-I332 HydrophobicContact CG1-CD1 3.69Å; V328-I332 HydrophobicContact CG1-CG1 4.35Å; V328-I332 WeakPolarHBondContact O-CG1 3.29Å; V328-I332 PolarHBondContact O-N 3.49Å; V328-V353 HydrophobicContact CG1-CG1 3.69Å; V328-V353 HydrophobicContact CG1-CG2 4.09Å; V328-I355 HydrophobicContact CG2-CD1 4.25Å
329N92.6Very high92.2Very high104 Ų10461.4 Ų61.456%0.55632%0.323SS*.Hα-helixtrans-61.9-39.3178.4-73.4-30.4000112.1P325 K326 A333P325-N329 PolarHBondContact O-N 2.91Å; P325-N329 PolarHBondContact O-ND2 3.02Å; K326-N329 PolarHBondContact O-N 3.33Å; N329-A333 WeakPolarHBondContact O-CB 3.39Å; N329-A333 PolarHBondContact O-N 2.95Å
330A95.5Very high91.6Very high55 Ų5564.3 Ų64.346%0.45534%0.343SS..Hα-helixtrans-64.6-44.7174.800000111.9K326 D327 V328 A333 T334K326-A330 PolarHBondContact O-N 3.37Å; D327-A330 PolarHBondContact O-N 3.47Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 3.12Å; A330-A333 PolarHBondContact O-N 3.4Å; A330-T334 PolarHBondContact O-N 2.82Å; A330-T334 PolarHBondContact O-OG1 2.87Å
331A95.4Very high91.4Very high5 Ų565 Ų654%0.04135%0.347CS..Hα-helixtrans-61.4-46.317700000111.8A289 T292 D327 V328 A333 T334 I335A289-A331 HydrophobicContact CB-CB 4.24Å; T292-A331 HydrophobicContact CG2-CB 4.15Å; D327-A331 WeakPolarHBondContact O-CB 3.5Å; D327-A331 PolarHBondContact O-N 3.16Å; V328-A331 PolarHBondContact O-N 3.31Å; A331-A333 VanDerWaalsContact C-N 3.33Å; A331-A333 PolarHBondContact O-N 2.74Å; A331-T334 WeakPolarHBondContact O-CB 3.47Å; A331-T334 PolarHBondContact O-N 2.89Å; A331-T334 VanDerWaalsContact O-N 3.17Å; A331-I335 WeakPolarHBondContact O-CG1 3.41Å; A331-I335 PolarHBondContact O-N 3.15Å
332I93.3Very high91.1Very high11 Ų1170 Ų706%0.05637%0.371CS..Hα-helixtrans-62.4-40.7176.7-67.4168.8000111L317 V328 T334 I335 K336 F351 V353L317-I332 HydrophobicContact CD1-CD1 3.83Å; L317-I332 HydrophobicContact CD1-CG1 3.76Å; V328-I332 HydrophobicContact CG1-CD1 3.69Å; V328-I332 HydrophobicContact CG1-CG1 4.35Å; V328-I332 WeakPolarHBondContact O-CG1 3.29Å; V328-I332 PolarHBondContact O-N 3.49Å; I332-T334 VanDerWaalsContact C-N 3.29Å; I332-T334 PolarHBondContact O-N 2.78Å; I332-I335 PolarHBondContact O-N 3.36Å; I332-K336 HydrophobicContact CG2-CD 4.17Å; I332-K336 HydrophobicContact CG2-CG 4.35Å; I332-K336 WeakPolarHBondContact O-CG 3.47Å; I332-K336 PolarHBondContact O-N 3.48Å; I332-F351 HydrophobicContact CG1-CD1 4.48Å; I332-F351 HydrophobicContact CG2-CB 4.2Å; I332-F351 HydrophobicContact CG2-CD1 4.23Å; I332-F351 HydrophobicContact CG2-CD2 4.1Å; I332-F351 HydrophobicContact CG2-CG 3.92Å; I332-V353 HydrophobicContact CD1-CG2 3.4Å
333A92.2Very high91Very high55 Ų5568 Ų6846%0.45536%0.358SS..Hα-helixtrans-59.9-41.2175.800000111.4N329 A330 A331 K336 T337N329-A333 WeakPolarHBondContact O-CB 3.39Å; N329-A333 PolarHBondContact O-N 2.95Å; A330-A333 PolarHBondContact O-N 3.4Å; A331-A333 VanDerWaalsContact C-N 3.33Å; A331-A333 PolarHBondContact O-N 2.74Å; A333-K336 PolarHBondContact O-N 3.31Å; A333-T337 WeakPolarHBondContact O-CG2 3.28Å
334T93.1Very high90.7Very high77 Ų7768 Ų6847%0.47236%0.358SS..Hα-helixtrans-64.1-45.8173.7-55.30000111.9A330 A331 I332 K336 T337A330-T334 PolarHBondContact O-N 2.82Å; A330-T334 PolarHBondContact O-OG1 2.87Å; A331-T334 WeakPolarHBondContact O-CB 3.47Å; A331-T334 PolarHBondContact O-N 2.89Å; A331-T334 VanDerWaalsContact O-N 3.17Å; I332-T334 VanDerWaalsContact C-N 3.29Å; I332-T334 PolarHBondContact O-N 2.78Å; T334-K336 VanDerWaalsContact C-N 3.32Å; T334-K336 PolarHBondContact O-N 3.38Å; T334-T337 PolarHBondContact O-N 2.91Å; T334-T337 VanDerWaalsContact O-N 3.09Å; T334-T337 PolarHBondContact O-OG1 2.58Å
335I91.8Very high90.3Very high1 Ų167.8 Ų67.81%0.00535%0.354CS..Hα-helixtrans-56.2-45.5177.2-71.9-58.7000111.5T292 N293 F296 A331 I332 T337 K338 I341 F351T292-I335 HydrophobicContact CG2-CG1 4.02Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.47Å; F296-I335 HydrophobicContact CD2-CD1 3.72Å; F296-I335 HydrophobicContact CD2-CG1 4.18Å; F296-I335 HydrophobicContact CD2-CG2 4Å; F296-I335 HydrophobicContact CE1-CG2 4.36Å; F296-I335 HydrophobicContact CE2-CD1 4.17Å; F296-I335 HydrophobicContact CE2-CG1 4.12Å; F296-I335 HydrophobicContact CE2-CG2 3.58Å; F296-I335 HydrophobicContact CG-CD1 4.48Å; F296-I335 HydrophobicContact CZ-CG2 3.79Å; A331-I335 WeakPolarHBondContact O-CG1 3.41Å; A331-I335 PolarHBondContact O-N 3.15Å; I332-I335 PolarHBondContact O-N 3.36Å; I335-T337 PolarHBondContact O-N 3.39Å; I335-T337 VanDerWaalsContact O-N 3.13Å; I335-K338 HydrophobicContact CD1-CD 4.36Å; I335-K338 WeakPolarHBondContact O-CB 3.32Å; I335-K338 PolarHBondContact O-N 2.67Å; I335-I341 HydrophobicContact CB-CD1 4.5Å; I335-I341 HydrophobicContact CG2-CD1 3.43Å; I335-I341 VanDerWaalsContact CG2-CD1 3.43Å; I335-F351 HydrophobicContact CG2-CE1 4.4Å; I335-F351 HydrophobicContact CG2-CZ 3.74Å
336K87.6Confident89.8Confident108 Ų10870 Ų7047%0.4736%0.355SS..Hα-helixtrans-61.8-20.4179-74.2179.5174.9-174.40114.2I332 A333 T334 F351I332-K336 HydrophobicContact CG2-CD 4.17Å; I332-K336 HydrophobicContact CG2-CG 4.35Å; I332-K336 WeakPolarHBondContact O-CG 3.47Å; I332-K336 PolarHBondContact O-N 3.48Å; A333-K336 PolarHBondContact O-N 3.31Å; T334-K336 VanDerWaalsContact C-N 3.32Å; T334-K336 PolarHBondContact O-N 3.38Å; K336-F351 VanDerWaalsContact CE-CD2 3.47Å; K336-F351 HydrophobicContact CG-CD2 4.38Å; K336-F351 HydrophobicContact CG-CE2 4.06Å
337T88.8Confident89.1Confident111 Ų11163.6 Ų63.668%0.68133%0.331SS*.THydrogen-bonded Turntrans-82.8-12.5175.865.80000113.5A333 T334 I335 R339A333-T337 WeakPolarHBondContact O-CG2 3.28Å; T334-T337 PolarHBondContact O-N 2.91Å; T334-T337 VanDerWaalsContact O-N 3.09Å; T334-T337 PolarHBondContact O-OG1 2.58Å; I335-T337 PolarHBondContact O-N 3.39Å; I335-T337 VanDerWaalsContact O-N 3.13Å; T337-R339 PolarHBondContact O-N 2.7Å
338K87.7Confident87.3Confident66 Ų6665 Ų6529%0.28734%0.344SS..  trans-76.1123.4179.8-66-174.1-179.8179.50110.3N293 I335 S340 I341N293-K338 WeakPolarHBondContact OD1-CE 3.38Å; N293-K338 PolarHBondContact OD1-NZ 3.47Å; I335-K338 HydrophobicContact CD1-CD 4.36Å; I335-K338 WeakPolarHBondContact O-CB 3.32Å; I335-K338 PolarHBondContact O-N 2.67Å; K338-S340 PolarHBondContact O-N 2.84Å; K338-I341 HydrophobicContact CB-CD1 4.31Å; K338-I341 HydrophobicContact CB-CG1 4.49Å; K338-I341 HydrophobicContact CD-CD1 4.41Å; K338-I341 PolarHBondContact O-N 3.37Å
339R82.4Confident85.7Confident235 Ų23570.1 Ų70.189%0.88738%0.375SS*.THydrogen-bonded Turntrans-63.7-19.8178.2-65.2-172.9178.7-163.8-1.5114.5T337 I341T337-R339 PolarHBondContact O-N 2.7Å; R339-I341 PolarHBondContact O-N 3.22Å
340S83.5Confident84.6Confident62 Ų6265.7 Ų65.743%0.43435%0.354SS..THydrogen-bonded Turntrans-77.5-4.6179.860.50000113.6K338K338-S340 PolarHBondContact O-N 2.84Å
341I87.1Confident84.2Confident20 Ų2064.2 Ų64.210%0.10334%0.338CS..  trans-115.4100.9-179.3-58.2174.5000106.8F296 Y312 I335 K338 R339 F343F296-I341 HydrophobicContact CB-CD1 4.19Å; F296-I341 HydrophobicContact CD1-CD1 3.48Å; F296-I341 VanDerWaalsContact CD1-CD1 3.48Å; F296-I341 HydrophobicContact CD1-CG1 4.02Å; F296-I341 HydrophobicContact CD2-CD1 4.27Å; F296-I341 HydrophobicContact CE1-CD1 3.9Å; F296-I341 HydrophobicContact CE1-CG1 4.5Å; F296-I341 HydrophobicContact CE1-CG2 4.27Å; F296-I341 HydrophobicContact CG-CD1 3.69Å; F296-I341 HydrophobicContact CZ-CD1 4.47Å; Y312-I341 HydrophobicContact CD2-CG2 4.02Å; Y312-I341 HydrophobicContact CE2-CG2 4.07Å; I335-I341 HydrophobicContact CB-CD1 4.5Å; I335-I341 HydrophobicContact CG2-CD1 3.43Å; I335-I341 VanDerWaalsContact CG2-CD1 3.43Å; K338-I341 HydrophobicContact CB-CD1 4.31Å; K338-I341 HydrophobicContact CB-CG1 4.49Å; K338-I341 HydrophobicContact CD-CD1 4.41Å; K338-I341 PolarHBondContact O-N 3.37Å; R339-I341 PolarHBondContact O-N 3.22Å; I341-F343 HydrophobicContact CG2-CD2 4.28Å; I341-F343 HydrophobicContact CG2-CE2 3.79Å
342Q87.8Confident83.8Confident104 Ų10468.9 Ų68.949%0.48636%0.357SS..  trans-108.4124.2-177.3-61.1-176.25.100108.8K311 Y312K311-Q342 CarbonylContact C-O 3.57Å; K311-Q342 WeakPolarHBondContact CA-O 3.45Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.25Å; Y312-Q342 PolarHBondContact N-O 3.08Å
343F89.3Confident83.6Confident44 Ų4470 Ų7019%0.19336%0.364CS..BIsolated β-bridgetrans-93.5154.9169.6-78.6-102.5000109.1Y312 C315 I341 F351Y312-F343 VanDerWaalsContact O-CA 3.25Å; Y312-F343 WeakPolarHBondContact O-CA 3.5Å; Y312-F343 WeakPolarHBondContact O-CD1 3.47Å; C315-F343 HydrophobicContact CB-CE1 4.31Å; C315-F343 HydrophobicContact CB-CZ 4.08Å; I341-F343 HydrophobicContact CG2-CD2 4.28Å; I341-F343 HydrophobicContact CG2-CE2 3.79Å; F343-F351 HydrophobicContact CE2-CD2 4.3Å; F343-F351 AromaticContact CE2-CE2 3.54Å; F343-F351 HydrophobicContact CE2-CE2 3.54Å; F343-F351 HydrophobicContact CE2-CZ 4.15Å; F343-F351 AromaticContact CZ-CD2 3.87Å; F343-F351 HydrophobicContact CZ-CD2 3.87Å; F343-F351 AromaticContact CZ-CE2 3.41Å; F343-F351 HydrophobicContact CZ-CE2 3.41Å; F343-F351 VanDerWaalsContact CZ-CE2 3.41Å; F343-F351 AromaticContact CZ-CZ 3.95Å; F343-F351 HydrophobicContact CZ-CZ 3.95Å
344V87.4Confident83.5Confident3 Ų367.7 Ų67.72%0.01835%0.346CS..  trans-58.2146.3164.9-62.80000110.2K311 Y312 M313 W346 C347 V435K311-V344 HydrophobicContact CB-CG1 3.78Å; K311-V344 HydrophobicContact CD-CG1 4.38Å; Y312-V344 PolarHBondContact O-N 3.26Å; M313-V344 HydrophobicContact CG-CG1 4.04Å; M313-V344 HydrophobicContact CG-CG2 4.4Å; V344-W346 VanDerWaalsContact C-N 3.31Å; V344-W346 HydrophobicContact CB-CD2 4.31Å; V344-W346 HydrophobicContact CB-CZ2 4.14Å; V344-W346 HydrophobicContact CG1-CZ2 4.29Å; V344-W346 HydrophobicContact CG2-CD2 3.65Å; V344-W346 HydrophobicContact CG2-CE3 4.01Å; V344-W346 HydrophobicContact CG2-CG 4.22Å; V344-W346 HydrophobicContact CG2-CH2 3.87Å; V344-W346 HydrophobicContact CG2-CZ2 3.52Å; V344-W346 HydrophobicContact CG2-CZ3 4.11Å; V344-W346 PolarHBondContact O-N 3.26Å; V344-C347 HydrophobicContact CG2-CB 3.55Å; V344-C347 CarbonylContact O-C 2.99Å; V344-C347 PolarHBondContact O-N 3.16Å; V344-C347 VanDerWaalsContact O-N 3.08Å; V344-V435 HydrophobicContact CG1-CG1 4.26Å
345D84.3Confident83.4Confident64 Ų6464.6 Ų64.634%0.34233%0.326SS..THydrogen-bonded Turntrans-62-34.9-174.556.4-0.1000113.6C347 S439D345-C347 VanDerWaalsContact C-N 3.27Å; D345-C347 PolarHBondContact O-N 3.48Å; D345-S439 VanDerWaalsContact CG-OG 3.23Å; D345-S439 PolarHBondContact OD1-OG 3.42Å; D345-S439 WeakPolarHBondContact OD2-CB 3.31Å; D345-S439 PolarHBondContact OD2-N 3.06Å; D345-S439 PolarHBondContact OD2-OG 3.05Å
346W82.8Confident83.3Confident105 Ų10565 Ų6540%0.39833%0.329SS..THydrogen-bonded Turntrans-77.2-5.8176.854.7-98.7000114P261 Y262 M313 V344 P348 V435P261-W346 HydrophobicContact CB-CH2 3.52Å; P261-W346 HydrophobicContact CB-CZ3 3.91Å; P261-W346 HydrophobicContact CG-CH2 3.84Å; Y262-W346 HydrophobicContact CE2-CH2 4.21Å; Y262-W346 AromaticContact CE2-CZ2 3.86Å; Y262-W346 HydrophobicContact CE2-CZ2 3.86Å; M313-W346 HydrophobicContact CB-CH2 4.06Å; M313-W346 HydrophobicContact CG-CH2 4.01Å; M313-W346 HydrophobicContact CG-CZ2 4.01Å; V344-W346 VanDerWaalsContact C-N 3.31Å; V344-W346 HydrophobicContact CB-CD2 4.31Å; V344-W346 HydrophobicContact CB-CZ2 4.14Å; V344-W346 HydrophobicContact CG1-CZ2 4.29Å; V344-W346 HydrophobicContact CG2-CD2 3.65Å; V344-W346 HydrophobicContact CG2-CE3 4.01Å; V344-W346 HydrophobicContact CG2-CG 4.22Å; V344-W346 HydrophobicContact CG2-CH2 3.87Å; V344-W346 HydrophobicContact CG2-CZ2 3.52Å; V344-W346 HydrophobicContact CG2-CZ3 4.11Å; V344-W346 PolarHBondContact O-N 3.26Å; W346-P348 VanDerWaalsContact C-CD 3.45Å; W346-P348 WeakPolarHBondContact O-CD 3.04Å; W346-V435 HydrophobicContact CZ2-CG1 4.18Å
347C78.6Confident83.3Confident30 Ų3065.9 Ų65.920%0.20333%0.33CS..  trans-125.667.7175-165.50000113.1M313 V344 D345 T349M313-C347 PolarHBondContact O-SG 3.29Å; V344-C347 HydrophobicContact CG2-CB 3.55Å; V344-C347 CarbonylContact O-C 2.99Å; V344-C347 PolarHBondContact O-N 3.16Å; V344-C347 VanDerWaalsContact O-N 3.08Å; D345-C347 VanDerWaalsContact C-N 3.27Å; D345-C347 PolarHBondContact O-N 3.48Å; C347-T349 VanDerWaalsContact C-N 3.28Å; C347-T349 PolarHBondContact O-N 3.47Å; C347-T349 VanDerWaalsContact O-N 3.16Å
348P58Low83.4Confident105 Ų10564.5 Ų64.568%0.68232%0.316SS*.THydrogen-bonded Turntrans-71.5-12.2-170.725.1-33.2000115.3W346W346-P348 VanDerWaalsContact C-CD 3.45Å; W346-P348 WeakPolarHBondContact O-CD 3.04Å
349T61.5Low83.5Confident107 Ų10764.7 Ų64.766%0.65632%0.324SS*.THydrogen-bonded Turntrans-139.651.2-177.751.40000114C347 F351C347-T349 VanDerWaalsContact C-N 3.28Å; C347-T349 PolarHBondContact O-N 3.47Å; C347-T349 VanDerWaalsContact O-N 3.16Å; T349-F351 VanDerWaalsContact C-N 3.34Å; T349-F351 PolarHBondContact O-N 3.24Å; T349-F351 VanDerWaalsContact O-N 3.08Å
350G69.2Low84Confident11 Ų1154 Ų5411%0.11329%0.285CS..  trans-79.529.8-169.900000118.7C315C315-G350 CarbonylContact C-O 3.55Å; C315-G350 WeakPolarHBondContact CA-O 3.23Å; C315-G350 WeakPolarHBondContact CB-O 3.47Å; C315-G350 PolarHBondContact N-O 3.1Å
351F85.8Confident84.5Confident25 Ų2553.1 Ų53.111%0.1128%0.276CS..EExtended strand (participates in β ladder)trans-101119175.5-79.3-90.3000112.3F296 C315 L317 I332 I335 K336 F343 T349F296-F351 HydrophobicContact CE1-CZ 4.35Å; F296-F351 HydrophobicContact CE2-CE1 4.25Å; F296-F351 HydrophobicContact CE2-CZ 4.44Å; F296-F351 AromaticContact CZ-CE1 3.61Å; F296-F351 HydrophobicContact CZ-CE1 3.61Å; F296-F351 AromaticContact CZ-CZ 3.65Å; F296-F351 HydrophobicContact CZ-CZ 3.65Å; C315-F351 HydrophobicContact CB-CD1 4Å; C315-F351 HydrophobicContact CB-CE1 4.02Å; C315-F351 HydrophobicContact CB-CG 4.44Å; C315-F351 HydrophobicContact CB-CZ 4.44Å; C315-F351 CarbonylContact O-C 3.51Å; C315-F351 VanDerWaalsContact O-CA 3.27Å; C315-F351 WeakPolarHBondContact O-CA 3.49Å; C315-F351 WeakPolarHBondContact SG-CE1 3.26Å; L317-F351 HydrophobicContact CD1-CD1 3.75Å; L317-F351 HydrophobicContact CD1-CE1 3.95Å; L317-F351 HydrophobicContact CG-CD1 4.35Å; I332-F351 HydrophobicContact CG1-CD1 4.48Å; I332-F351 HydrophobicContact CG2-CB 4.2Å; I332-F351 HydrophobicContact CG2-CD1 4.23Å; I332-F351 HydrophobicContact CG2-CD2 4.1Å; I332-F351 HydrophobicContact CG2-CG 3.92Å; I335-F351 HydrophobicContact CG2-CE1 4.4Å; I335-F351 HydrophobicContact CG2-CZ 3.74Å; K336-F351 VanDerWaalsContact CE-CD2 3.47Å; K336-F351 HydrophobicContact CG-CD2 4.38Å; K336-F351 HydrophobicContact CG-CE2 4.06Å; F343-F351 HydrophobicContact CE2-CD2 4.3Å; F343-F351 AromaticContact CE2-CE2 3.54Å; F343-F351 HydrophobicContact CE2-CE2 3.54Å; F343-F351 HydrophobicContact CE2-CZ 4.15Å; F343-F351 AromaticContact CZ-CD2 3.87Å; F343-F351 HydrophobicContact CZ-CD2 3.87Å; F343-F351 AromaticContact CZ-CE2 3.41Å; F343-F351 HydrophobicContact CZ-CE2 3.41Å; F343-F351 VanDerWaalsContact CZ-CE2 3.41Å; F343-F351 AromaticContact CZ-CZ 3.95Å; F343-F351 HydrophobicContact CZ-CZ 3.95Å; T349-F351 VanDerWaalsContact C-N 3.34Å; T349-F351 PolarHBondContact O-N 3.24Å; T349-F351 VanDerWaalsContact O-N 3.08Å
352K88.2Confident84.7Confident102 Ų10253.2 Ų53.244%0.44328%0.278SS..EExtended strand (participates in β ladder)trans-105.3145.8167.9-57.2-68.9-177.5162.50109.7N258 C315 C316 L317N258-K352 HydrophobicContact CB-CG 4.26Å; N258-K352 WeakPolarHBondContact OD1-CE 3.42Å; C315-K352 PolarHBondContact O-N 3.46Å; C316-K352 CarbonylContact C-O 3.58Å; C316-K352 WeakPolarHBondContact CA-O 3.23Å; C316-K352 HydrophobicContact CB-CB 4.33Å; L317-K352 PolarHBondContact N-O 3.36Å
353V89.1Confident84.9Confident35 Ų3548.7 Ų48.721%0.21226%0.257CS..EExtended strand (participates in β ladder)trans-130.6118.5-174179.20000109.9L248 L317 Y319 V328 I332 I355L248-V353 WeakPolarHBondContact CD2-O 3.37Å; L317-V353 WeakPolarHBondContact O-CA 3.25Å; Y319-V353 HydrophobicContact CD2-CG1 4.11Å; Y319-V353 HydrophobicContact CE2-CG1 4.23Å; V328-V353 HydrophobicContact CG1-CG1 3.69Å; V328-V353 HydrophobicContact CG1-CG2 4.09Å; I332-V353 HydrophobicContact CD1-CG2 3.4Å; V353-I355 HydrophobicContact CG1-CD1 4.26Å; V353-I355 HydrophobicContact CG1-CG1 3.98Å
354G89.1Confident85Confident6 Ų651.2 Ų51.26%0.06228%0.278CS..EExtended strand (participates in β ladder)trans-105138.116700000110.2L317 Y319L317-G354 PolarHBondContact O-N 3.2Å; Y319-G354 PolarHBondContact N-O 3.48Å
355I90.8Very high84.9Confident13 Ų1354.6 Ų54.67%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-130.8120.3174.9-55.2174.4000108.7A247 Y319 V323 P325 V328 V353 Y357A247-I355 PolarHBondContact N-O 2.9Å; Y319-I355 HydrophobicContact CD2-CG1 4.46Å; V323-I355 HydrophobicContact CB-CG2 4.24Å; V323-I355 HydrophobicContact CG1-CD1 4.44Å; V323-I355 HydrophobicContact CG1-CG2 4.48Å; P325-I355 HydrophobicContact CB-CD1 4.11Å; P325-I355 HydrophobicContact CG-CD1 3.87Å; V328-I355 HydrophobicContact CG2-CD1 4.25Å; V353-I355 HydrophobicContact CG1-CD1 4.26Å; V353-I355 HydrophobicContact CG1-CG1 3.98Å; I355-Y357 HydrophobicContact CG2-CD1 4.16Å; I355-Y357 HydrophobicContact CG2-CE1 3.81Å
356N90.3Very high85.1Confident10 Ų1052.5 Ų52.55%0.05331%0.307CS..EExtended strand (participates in β ladder)trans-109.7123.5167.8179.1-21.7000108.7F244 Y319 R320 G321 Q358F244-N356 WeakPolarHBondContact CB-ND2 3.46Å; F244-N356 VanDerWaalsContact CD2-ND2 3.27Å; F244-N356 WeakPolarHBondContact CD2-ND2 3.45Å; F244-N356 WeakPolarHBondContact CG-ND2 3.42Å; Y319-N356 PolarHBondContact O-N 3.41Å; R320-N356 CarbonylContact C-O 3.42Å; R320-N356 WeakPolarHBondContact CA-O 3.45Å; R320-N356 HydrophobicContact CG-CB 4.3Å; G321-N356 PolarHBondContact N-O 3.42Å; N356-Q358 PolarHBondContact O-N 3.15Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.38Å; N356-Q358 PolarHBondContact OD1-N 3.05Å
357Y88.9Confident85.4Confident126 Ų12649.7 Ų49.749%0.49430%0.3SS..  trans-77.5-8.7-175-63.2-70.3000114.1A247 I355 P359A247-Y357 HydrophobicContact CB-CE2 4.37Å; I355-Y357 HydrophobicContact CG2-CD1 4.16Å; I355-Y357 HydrophobicContact CG2-CE1 3.81Å; Y357-P359 WeakPolarHBondContact O-CD 3.34Å
358Q89Confident86Confident82 Ų8249.4 Ų49.438%0.38330%0.296SS..SBendtrans-73.2127.7175-63.8-166.6-1.800110.9F244 G321 N356F244-Q358 VanDerWaalsContact CD1-CD 3.41Å; F244-Q358 VanDerWaalsContact CD1-NE2 3.26Å; F244-Q358 VanDerWaalsContact CE1-CD 3.49Å; G321-Q358 PolarHBondContact N-O 2.92Å; G321-Q358 VanDerWaalsContact N-O 3.1Å; N356-Q358 PolarHBondContact O-N 3.15Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.38Å; N356-Q358 PolarHBondContact OD1-N 3.05Å
359P90.6Very high87.6Confident70 Ų7044.7 Ų44.746%0.45527%0.266SS..PPolyproline II helixtrans-57.6146.4175.1-24.534.3000112.1Y357 T361Y357-P359 WeakPolarHBondContact O-CD 3.34Å; P359-T361 PolarHBondContact O-N 3.24Å
360P92.6Very high89Confident11 Ų1147.9 Ų47.97%0.07127%0.271CS..PPolyproline II helixtrans-56.1131.1170.4-23.633.7000111.3R320 V371 A374R320-P360 HydrophobicContact CB-CG 4.01Å; P360-V371 HydrophobicContact CB-CG2 4.33Å; P360-V371 HydrophobicContact CG-CG2 4.11Å; P360-A374 HydrophobicContact CB-CB 4.5Å; P360-A374 HydrophobicContact CG-CB 3.59Å
361T94.1Very high90Very high42 Ų4248.6 Ų48.626%0.25827%0.273SS..PPolyproline II helixtrans-92.1141175.3-640000109.5L23 L26 E27 Q233 P359L23-T361 HydrophobicContact CD1-CG2 4.25Å; L23-T361 WeakPolarHBondContact CD1-O 3.43Å; L26-T361 HydrophobicContact CB-CG2 3.95Å; E27-T361 HydrophobicContact CG-CG2 4.23Å; Q233-T361 PolarHBondContact NE2-O 3Å; Q233-T361 PolarHBondContact OE1-O 2.98Å; P359-T361 PolarHBondContact O-N 3.24Å
362V91.8Very high90.3Very high22 Ų2252.5 Ų52.513%0.13329%0.292CS..  trans-115.1144.7174.7-58.70000110.1L368 K370V362-L368 HydrophobicContact CG1-CB 4.2Å; V362-K370 HydrophobicContact CG2-CD 4.34Å; V362-K370 HydrophobicContact CG2-CG 3.45Å; V362-K370 VanDerWaalsContact CG2-CG 3.45Å
363V91.8Very high90.5Very high9 Ų950 Ų506%0.05528%0.28CS..  trans-68.7130.6177.6-179.20000109.5E22 L23 L26 G365 G366E22-V363 HydrophobicContact CG-CG1 4.26Å; E22-V363 HydrophobicContact CG-CG2 4.42Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.29Å; L23-V363 HydrophobicContact CD1-CG2 4.35Å; L26-V363 HydrophobicContact CD1-CB 4.28Å; L26-V363 HydrophobicContact CD1-CG1 4.28Å; L26-V363 HydrophobicContact CD1-CG2 4.07Å; V363-G365 PolarHBondContact O-N 3.13Å; V363-G366 WeakPolarHBondContact O-CA 3.25Å; V363-G366 PolarHBondContact O-N 3.49Å
364P90.3Very high90.8Very high98 Ų9848.4 Ų48.464%0.63627%0.27SS*.THydrogen-bonded Turntrans-55.9130.1172.2-25.634.8000111.8G366P364-G366 PolarHBondContact O-N 3.33Å
365G86Confident91.2Very high73 Ų7348.1 Ų48.175%0.75327%0.267SS*.THydrogen-bonded Turntrans72.116.2-173.300000114R229 V363R229-G365 PolarHBondContact NH1-O 2.67Å; V363-G365 PolarHBondContact O-N 3.13Å
366G88.3Confident91.4Very high21 Ų2147.5 Ų47.522%0.21626%0.264CS..  trans-82166166.800000112.8V363 P364V363-G366 WeakPolarHBondContact O-CA 3.25Å; V363-G366 PolarHBondContact O-N 3.49Å; P364-G366 PolarHBondContact O-N 3.33Å
367D90.2Very high91.7Very high45 Ų4547 Ų4724%0.24126%0.261CS..SBendtrans-85.5-12.8-174.7-48-70000113.2L217 I219 N226 S277 A278L217-D367 HydrophobicContact CD1-CB 4.05Å; I219-D367 HydrophobicContact CD1-CB 3.99Å; N226-D367 PolarHBondContact ND2-OD1 2.99Å; N226-D367 PolarHBondContact ND2-OD2 2.82Å; S277-D367 WeakPolarHBondContact CA-O 3.49Å; A278-D367 PolarHBondContact N-O 3.05Å
368L90.6Very high91.9Very high24 Ų2441 Ų4113%0.12624%0.238CC..BIsolated β-bridgetrans-89.4135.5-175.5-71.3168.2000112.6L217 L230 Q233 V275 V362L217-L368 HydrophobicContact CD1-CD2 4.49Å; L217-L368 HydrophobicContact CD2-CD2 3.68Å; L217-L368 HydrophobicContact CD2-CG 4.5Å; L230-L368 HydrophobicContact CD1-CD1 4.43Å; Q233-L368 HydrophobicContact CB-CD1 4.48Å; Q233-L368 HydrophobicContact CG-CD1 3.63Å; V275-L368 HydrophobicContact CG1-CD2 3.87Å; V362-L368 HydrophobicContact CG1-CB 4.2Å
369A91Very high92Very high7 Ų737.1 Ų37.16%0.05822%0.22CC..PPolyproline II helixtrans-66.1147.9170.500000112.2I276 A281 V371I276-A369 HydrophobicContact CB-CB 4.2Å; I276-A369 HydrophobicContact CG2-CB 4.1Å; I276-A369 PolarHBondContact O-N 3.06Å; A281-A369 HydrophobicContact CB-CB 3.53Å; A369-V371 PolarHBondContact O-N 3.3Å
370K90.8Very high92.2Very high173 Ų17333.8 Ų33.875%0.75220%0.198SC*.PPolyproline II helixtrans-68.1123.8165.4-71.3-175.9-179.8-174.80109.2V362V362-K370 HydrophobicContact CG2-CD 4.34Å; V362-K370 HydrophobicContact CG2-CG 3.45Å; V362-K370 VanDerWaalsContact CG2-CG 3.45Å
371V91.6Very high92.3Very high27 Ų2733.2 Ų33.216%0.16419%0.194CC..  trans-119.3148.1178.8-63.30000110.6P274 I276 P360 A369 R373 A374P274-V371 HydrophobicContact CG-CG1 4.12Å; I276-V371 HydrophobicContact CD1-CG1 4.36Å; P360-V371 HydrophobicContact CB-CG2 4.33Å; P360-V371 HydrophobicContact CG-CG2 4.11Å; A369-V371 PolarHBondContact O-N 3.3Å; V371-R373 VanDerWaalsContact C-N 3.29Å; V371-R373 WeakPolarHBondContact CG2-O 3.42Å; V371-A374 HydrophobicContact CG2-CB 4.38Å
372Q90.8Very high92.3Very high107 Ų10731.9 Ų31.950%0.519%0.186SC..SBendtrans-74.2-25177.9-66.7-62.9-2800112.4G321 D322G321-Q372 WeakPolarHBondContact CA-O 3.44Å; D322-Q372 PolarHBondContact N-O 3.46Å
373R93.6Very high92.5Very high49 Ų4931.1 Ų31.119%0.18518%0.182CC..EExtended strand (participates in β ladder)trans-151.2146.3-176.758.5-172.174.7163.7-0.8111.4L286 I291 R320 D322 V323 V371L286-R373 WeakPolarHBondContact O-CD 3.31Å; I291-R373 HydrophobicContact CD1-CB 4.34Å; I291-R373 HydrophobicContact CD1-CG 4.04Å; R320-R373 CarbonylContact O-C 3.57Å; R320-R373 WeakPolarHBondContact O-CA 3.2Å; D322-R373 PolarHBondContact O-NE 3.08Å; D322-R373 PolarHBondContact O-NH2 3.3Å; D322-R373 IonicContact OD2-CZ 2.65Å; D322-R373 IonicContact OD2-NH2 2.87Å; D322-R373 PolarHBondContact OD2-NH2 3.1Å; V323-R373 HydrophobicContact CG2-CB 3.8Å; V371-R373 VanDerWaalsContact C-N 3.29Å; V371-R373 WeakPolarHBondContact CG2-O 3.42Å
374A95.6Very high92.6Very high1 Ų130.7 Ų30.71%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-144.6165.7171.900000110Y272 A273 Y319 R320 P360 V371Y272-A374 HydrophobicContact CE2-CB 4.1Å; Y272-A374 WeakPolarHBondContact OH-CB 3.17Å; A273-A374 CarbonylContact O-C 3.59Å; A273-A374 WeakPolarHBondContact O-CA 3.43Å; Y319-A374 CarbonylContact C-O 3.55Å; Y319-A374 WeakPolarHBondContact CA-O 3.16Å; R320-A374 PolarHBondContact N-O 2.92Å; R320-A374 PolarHBondContact O-N 3.23Å; P360-A374 HydrophobicContact CB-CB 4.5Å; P360-A374 HydrophobicContact CG-CB 3.59Å; V371-A374 HydrophobicContact CG2-CB 4.38Å
375V96.3Very high92.8Very high0 Ų027.1 Ų27.10%016%0.158CC..EExtended strand (participates in β ladder)trans-140.6132.817756.70000109.6A273 I291 C295 L317 L318 Y319A273-V375 HydrophobicContact CB-CG1 4.26Å; A273-V375 PolarHBondContact N-O 3.03Å; A273-V375 PolarHBondContact O-N 3.18Å; I291-V375 HydrophobicContact CB-CG1 3.87Å; I291-V375 HydrophobicContact CD1-CB 4.23Å; I291-V375 HydrophobicContact CD1-CG1 3.91Å; I291-V375 HydrophobicContact CG1-CG1 3.77Å; C295-V375 WeakPolarHBondContact SG-CG1 3.39Å; L317-V375 HydrophobicContact CB-CG2 4.29Å; L317-V375 HydrophobicContact CD2-CG2 3.94Å; L318-V375 WeakPolarHBondContact O-CA 3.34Å; Y319-V375 HydrophobicContact CD1-CB 3.66Å; Y319-V375 HydrophobicContact CD1-CG2 3.83Å; Y319-V375 HydrophobicContact CD2-CG2 4.34Å; Y319-V375 HydrophobicContact CE1-CB 3.69Å; Y319-V375 HydrophobicContact CE1-CG1 4.31Å; Y319-V375 HydrophobicContact CE1-CG2 3.65Å; Y319-V375 HydrophobicContact CE2-CG2 4.18Å; Y319-V375 HydrophobicContact CG-CB 4.33Å; Y319-V375 HydrophobicContact CG-CG2 4.16Å
376C95.6Very high93.1Very high0 Ų026.8 Ų26.80%014%0.137CC..EExtended strand (participates in β ladder)trans-107.4116.3166.6-173.60000107.9T271 Y272 L318T271-C376 CarbonylContact O-C 3.55Å; T271-C376 WeakPolarHBondContact O-CA 3.37Å; Y272-C376 HydrophobicContact CD2-CB 4.09Å; L318-C376 HydrophobicContact CB-CB 4.31Å; L318-C376 WeakPolarHBondContact CB-O 3.31Å; L318-C376 PolarHBondContact N-O 3.11Å; L318-C376 PolarHBondContact O-N 2.89Å
377M95.3Very high93.3Very high0 Ų025.8 Ų25.80%013%0.127CC..EExtended strand (participates in β ladder)trans-91.6130.7171.4-172.7177.977.200109.3A270 T271 C295 F296 C315 C316 L317A270-M377 CarbonylContact C-O 3.26Å; A270-M377 WeakPolarHBondContact CA-O 3.42Å; T271-M377 PolarHBondContact N-O 3.24Å; T271-M377 PolarHBondContact O-N 3.38Å; C295-M377 HydrophobicContact CB-CB 3.82Å; C295-M377 HydrophobicContact CB-CE 4.21Å; C295-M377 HydrophobicContact CB-CG 4.43Å; C295-M377 HydrophobicContact CB-SD 3.8Å; C295-M377 WeakPolarHBondContact O-CE 3.42Å; F296-M377 HydrophobicContact CD1-CE 4.36Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.36Å; F296-M377 HydrophobicContact CE1-CE 4.17Å; F296-M377 HydrophobicContact CE1-SD 3.68Å; F296-M377 HydrophobicContact CE2-SD 3.75Å; F296-M377 HydrophobicContact CZ-CE 4.42Å; F296-M377 HydrophobicContact CZ-SD 3.36Å; F296-M377 WeakPolarHBondContact CZ-SD 3.45Å; C315-M377 VanDerWaalsContact SG-SD 3.62Å; C316-M377 CarbonylContact O-C 3.55Å; C316-M377 VanDerWaalsContact O-CA 3.3Å; C316-M377 WeakPolarHBondContact O-CA 3.38Å; L317-M377 HydrophobicContact CD2-CB 3.75Å; L317-M377 HydrophobicContact CD2-CG 3.68Å; L317-M377 HydrophobicContact CD2-SD 4.07Å
378L93.4Very high93.5Very high0 Ų023.7 Ų23.70%012%0.115CC..EExtended strand (participates in β ladder)trans-113.7116.7168.3-58.9175.3000107.5F202 I238 F255 L259 L269 A270 C315 C316 L318F202-L378 HydrophobicContact CD1-CD2 3.99Å; F202-L378 HydrophobicContact CE1-CD1 3.81Å; F202-L378 HydrophobicContact CE1-CD2 3.76Å; F202-L378 HydrophobicContact CE1-CG 4.28Å; F202-L378 HydrophobicContact CZ-CD1 4.09Å; I238-L378 HydrophobicContact CD1-CD2 3.79Å; I238-L378 HydrophobicContact CG1-CD1 4.18Å; I238-L378 HydrophobicContact CG1-CD2 3.96Å; I238-L378 HydrophobicContact CG1-CG 4.46Å; I238-L378 HydrophobicContact CG2-CD1 4.34Å; F255-L378 HydrophobicContact CD1-CD1 4.05Å; F255-L378 HydrophobicContact CE1-CD1 3.52Å; L259-L378 HydrophobicContact CD1-CB 3.85Å; L259-L378 HydrophobicContact CD1-CD1 3.91Å; L259-L378 HydrophobicContact CD2-CB 4.07Å; L259-L378 WeakPolarHBondContact CD2-O 3.41Å; L269-L378 WeakPolarHBondContact O-CA 3.44Å; A270-L378 HydrophobicContact CB-CD2 3.91Å; C315-L378 CarbonylContact C-O 3.52Å; C315-L378 WeakPolarHBondContact CA-O 3.49Å; C316-L378 HydrophobicContact CB-CB 4.31Å; C316-L378 PolarHBondContact N-O 2.72Å; C316-L378 PolarHBondContact O-N 3.19Å; L318-L378 HydrophobicContact CD1-CD1 3.85Å; L318-L378 HydrophobicContact CD1-CG 4.39Å
379S92.8Very high93.7Very high0 Ų024.7 Ų24.70%013%0.127CC..EExtended strand (participates in β ladder)trans-130.5124.5-176.555.60000110.7L269 A314L269-S379 WeakPolarHBondContact CB-O 2.8Å; L269-S379 PolarHBondContact N-O 3.11Å; L269-S379 PolarHBondContact O-N 2.9Å; A314-S379 CarbonylContact O-C 3.51Å; A314-S379 VanDerWaalsContact O-CA 3.24Å; A314-S379 WeakPolarHBondContact O-CA 3.24Å
380N93.6Very high93.8Very high0 Ų028.4 Ų28.40%014%0.14CC..EExtended strand (participates in β ladder)trans-86.5113.4169.6-162.2-13.7000108.1L259 I265 M313 A314L259-N380 VanDerWaalsContact O-CB 3.23Å; L259-N380 WeakPolarHBondContact O-CB 3.47Å; L259-N380 PolarHBondContact O-ND2 2.65Å; I265-N380 PolarHBondContact O-ND2 3.32Å; M313-N380 HydrophobicContact CB-CB 4.46Å; M313-N380 HydrophobicContact CE-CB 4.35Å; M313-N380 WeakPolarHBondContact CE-OD1 3.18Å; M313-N380 PolarHBondContact N-O 2.79Å; A314-N380 HydrophobicContact CB-CB 4.27Å; A314-N380 PolarHBondContact N-O 3.4Å; A314-N380 PolarHBondContact O-N 3.1Å
381T94.3Very high93.9Very high0 Ų020.2 Ų20.20%010%0.104CC..EExtended strand (participates in β ladder)trans-133.4142.4-175.8177.90000110.3L269 P307 K311 A383 I384L269-T381 HydrophobicContact CB-CG2 4.3Å; L269-T381 HydrophobicContact CD2-CG2 4.23Å; P307-T381 HydrophobicContact CG-CG2 4.48Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.37Å; K311-T381 PolarHBondContact O-OG1 3.21Å; T381-A383 HydrophobicContact CG2-CB 4.27Å; T381-A383 PolarHBondContact O-N 2.97Å; T381-A383 PolarHBondContact OG1-N 2.98Å; T381-I384 WeakPolarHBondContact O-CG2 3.48Å; T381-I384 PolarHBondContact O-N 3.39Å
382T95.3Very high94.1Very high14 Ų1419 Ų199%0.08610%0.097CC..G310 helixtrans-66.1-18.7177.562.40000113.1G310 K311 M313 I384 A385 Y432 V435G310-T382 VanDerWaalsContact CA-OG1 3.3Å; G310-T382 WeakPolarHBondContact CA-OG1 3.25Å; K311-T382 PolarHBondContact N-OG1 3Å; K311-T382 PolarHBondContact O-N 3.47Å; M313-T382 HydrophobicContact CE-CG2 3.97Å; T382-I384 PolarHBondContact O-N 2.88Å; T382-I384 VanDerWaalsContact O-N 3.08Å; T382-A385 VanDerWaalsContact O-CB 3.25Å; T382-A385 WeakPolarHBondContact O-CB 3.38Å; T382-A385 PolarHBondContact O-N 3.23Å; T382-Y432 HydrophobicContact CG2-CD1 4.25Å; T382-V435 HydrophobicContact CG2-CB 4.35Å; T382-V435 HydrophobicContact CG2-CG1 3.98Å
383A94.6Very high94.3Very high5 Ų519.3 Ų19.34%0.04110%0.098CC..G310 helixtrans-61.6-19.5177.400000113.5C305 D306 P307 T381 A385 E386C305-A383 HydrophobicContact CB-CB 4.33Å; C305-A383 WeakPolarHBondContact CB-O 3.46Å; D306-A383 WeakPolarHBondContact O-CB 3.39Å; P307-A383 HydrophobicContact CB-CB 4.39Å; P307-A383 HydrophobicContact CG-CB 4.37Å; T381-A383 HydrophobicContact CG2-CB 4.27Å; T381-A383 PolarHBondContact O-N 2.97Å; T381-A383 PolarHBondContact OG1-N 2.98Å; A383-A385 PolarHBondContact O-N 3.4Å; A383-E386 WeakPolarHBondContact O-CB 3.37Å; A383-E386 WeakPolarHBondContact O-CG 3.26Å; A383-E386 PolarHBondContact O-N 3.44Å; A383-E386 VanDerWaalsContact O-N 3.12Å
384I94.4Very high94.3Very high0 Ų020.3 Ų20.30%010%0.104CC..G310 helixtrans-64.4-19.2176.1-150.2168.4000112.6M203 F267 T381 T382 E386 A387 Y432M203-I384 HydrophobicContact CE-CD1 3.23Å; M203-I384 HydrophobicContact CE-CG1 3.36Å; F267-I384 HydrophobicContact CB-CD1 4.05Å; F267-I384 VanDerWaalsContact O-CD1 3.26Å; F267-I384 WeakPolarHBondContact O-CD1 3.47Å; T381-I384 WeakPolarHBondContact O-CG2 3.48Å; T381-I384 PolarHBondContact O-N 3.39Å; T382-I384 PolarHBondContact O-N 2.88Å; T382-I384 VanDerWaalsContact O-N 3.08Å; I384-E386 PolarHBondContact O-N 2.8Å; I384-A387 VanDerWaalsContact O-CB 3.31Å; I384-A387 WeakPolarHBondContact O-CB 3.32Å; I384-A387 PolarHBondContact O-N 2.79Å; I384-Y432 HydrophobicContact CG2-CE1 3.7Å; I384-Y432 HydrophobicContact CG2-CE2 4.31Å; I384-Y432 WeakPolarHBondContact CG2-OH 3.49Å
385A94.1Very high94.4Very high23 Ų2320.2 Ų20.219%0.1910%0.103CC..Hα-helixtrans-56.6-28.5171.200000113T382 A383 A387 W388 A389 Y432T382-A385 VanDerWaalsContact O-CB 3.25Å; T382-A385 WeakPolarHBondContact O-CB 3.38Å; T382-A385 PolarHBondContact O-N 3.23Å; A383-A385 PolarHBondContact O-N 3.4Å; A385-A387 PolarHBondContact O-N 3.18Å; A385-W388 PolarHBondContact O-N 3.27Å; A385-W388 VanDerWaalsContact O-N 3.11Å; A385-A389 PolarHBondContact O-N 2.89Å; A385-Y432 HydrophobicContact CB-CD2 4.17Å; A385-Y432 HydrophobicContact CB-CG 3.96Å
386E92.8Very high94.4Very high67 Ų6723.2 Ų23.231%0.31312%0.119SC..Hα-helixtrans-60.5-30.9173.4-66.1-177.8172.700112.4C305 D306 H309 A383 I384 R390C305-E386 WeakPolarHBondContact CA-OE2 3.14Å; C305-E386 HydrophobicContact CB-CB 4.29Å; D306-E386 PolarHBondContact N-OE2 3.28Å; D306-E386 VanDerWaalsContact N-OE2 3.11Å; H309-E386 IonicContact ND1-OE1 3.78Å; A383-E386 WeakPolarHBondContact O-CB 3.37Å; A383-E386 WeakPolarHBondContact O-CG 3.26Å; A383-E386 PolarHBondContact O-N 3.44Å; A383-E386 VanDerWaalsContact O-N 3.12Å; I384-E386 PolarHBondContact O-N 2.8Å; E386-R390 WeakPolarHBondContact O-CG 3.44Å; E386-R390 PolarHBondContact O-N 3.22Å; E386-R390 PolarHBondContact O-NH1 3.19Å
387A92.5Very high94.5Very high0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-72.5-36.8176.600000111.7Y172 V303 I384 A385 L391Y172-A387 HydrophobicContact CE2-CB 4.06Å; Y172-A387 PolarHBondContact OH-O 3.1Å; V303-A387 HydrophobicContact CG1-CB 3.85Å; I384-A387 VanDerWaalsContact O-CB 3.31Å; I384-A387 WeakPolarHBondContact O-CB 3.32Å; I384-A387 PolarHBondContact O-N 2.79Å; A385-A387 PolarHBondContact O-N 3.18Å; A387-L391 PolarHBondContact O-N 2.89Å
388W94.7Very high94.6Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-66.9-49.9174.3-62.9127.5000111.3F141 T191 M203 F267 A385 R390 L391 D392 M425 E429F141-W388 AromaticContact CE2-CH2 3.93Å; F141-W388 HydrophobicContact CE2-CH2 3.93Å; F141-W388 HydrophobicContact CE2-CZ3 4.34Å; F141-W388 HydrophobicContact CZ-CH2 4.11Å; T191-W388 HydrophobicContact CG2-CH2 3.56Å; T191-W388 HydrophobicContact CG2-CZ2 4.23Å; T191-W388 HydrophobicContact CG2-CZ3 3.85Å; M203-W388 HydrophobicContact CE-CZ2 3.78Å; M203-W388 HydrophobicContact SD-CH2 3.66Å; M203-W388 HydrophobicContact SD-CZ2 3.46Å; M203-W388 WeakPolarHBondContact SD-CZ2 3.45Å; M203-W388 HydrophobicContact SD-CZ3 4.45Å; F267-W388 AromaticContact CD1-CZ2 3.79Å; F267-W388 HydrophobicContact CD1-CZ2 3.79Å; F267-W388 HydrophobicContact CD2-CZ2 4.02Å; F267-W388 HydrophobicContact CE1-CH2 4.13Å; F267-W388 AromaticContact CE1-CZ2 3.66Å; F267-W388 HydrophobicContact CE1-CZ2 3.66Å; F267-W388 AromaticContact CE2-CZ2 3.89Å; F267-W388 HydrophobicContact CE2-CZ2 3.89Å; F267-W388 AromaticContact CG-CZ2 3.97Å; F267-W388 HydrophobicContact CG-CZ2 3.97Å; F267-W388 HydrophobicContact CZ-CH2 4.26Å; F267-W388 AromaticContact CZ-CZ2 3.71Å; F267-W388 HydrophobicContact CZ-CZ2 3.71Å; A385-W388 PolarHBondContact O-N 3.27Å; A385-W388 VanDerWaalsContact O-N 3.11Å; W388-R390 PolarHBondContact O-N 3.12Å; W388-R390 VanDerWaalsContact O-N 3.08Å; W388-L391 HydrophobicContact CE3-CD1 4Å; W388-L391 HydrophobicContact CZ3-CD1 3.97Å; W388-L391 WeakPolarHBondContact O-CA 3.49Å; W388-L391 WeakPolarHBondContact O-CB 3.26Å; W388-L391 PolarHBondContact O-N 3.09Å; W388-D392 PolarHBondContact O-N 3.45Å; W388-M425 HydrophobicContact CB-CE 4.41Å; W388-M425 HydrophobicContact CD2-CE 3.72Å; W388-M425 HydrophobicContact CE3-CE 3.33Å; W388-M425 HydrophobicContact CG-CE 4.19Å; W388-M425 HydrophobicContact CZ3-CE 3.8Å; W388-E429 HydrophobicContact CB-CG 4.36Å
389A94.4Very high94.7Very high45 Ų4531 Ų3137%0.37216%0.158SC..Hα-helixtrans-54.6-35.7177.400000113.4A385 H393 E429A385-A389 PolarHBondContact O-N 2.89Å; A389-H393 VanDerWaalsContact O-CB 3.26Å; A389-H393 WeakPolarHBondContact O-CB 3.45Å; A389-H393 PolarHBondContact O-N 3.38Å; A389-E429 WeakPolarHBondContact CA-OE1 3.35Å; A389-E429 PolarHBondContact N-OE1 2.86Å
390R92.7Very high94.9Very high85 Ų8534.4 Ų34.432%0.32119%0.186SC..Hα-helixtrans-69.1-35.1174.5-73.6-171.9-50.2-99.810.4113.4K304 E386 W388 K394K304-R390 VanDerWaalsContact O-CZ 3.23Å; K304-R390 PolarHBondContact O-NH1 3.31Å; K304-R390 PolarHBondContact O-NH2 3.5Å; E386-R390 WeakPolarHBondContact O-CG 3.44Å; E386-R390 PolarHBondContact O-N 3.22Å; E386-R390 PolarHBondContact O-NH1 3.19Å; W388-R390 PolarHBondContact O-N 3.12Å; W388-R390 VanDerWaalsContact O-N 3.08Å; R390-K394 WeakPolarHBondContact O-CG 3.43Å; R390-K394 PolarHBondContact O-N 3.04Å
391L92.8Very high95.1Very high1 Ų142.7 Ų42.71%0.00522%0.222CC..Hα-helixtrans-71.3-48.7174.5-77.5179.9000110.6Y172 P173 I188 A387 W388 H393 K394 F395Y172-L391 HydrophobicContact CD2-CD1 3.98Å; Y172-L391 HydrophobicContact CE2-CD1 3.32Å; Y172-L391 HydrophobicContact CE2-CD2 4.18Å; Y172-L391 HydrophobicContact CE2-CG 3.55Å; Y172-L391 WeakPolarHBondContact OH-CG 3.34Å; P173-L391 HydrophobicContact CG-CD2 3.85Å; I188-L391 HydrophobicContact CD1-CB 4.11Å; A387-L391 PolarHBondContact O-N 2.89Å; W388-L391 HydrophobicContact CE3-CD1 4Å; W388-L391 HydrophobicContact CZ3-CD1 3.97Å; W388-L391 WeakPolarHBondContact O-CA 3.49Å; W388-L391 WeakPolarHBondContact O-CB 3.26Å; W388-L391 PolarHBondContact O-N 3.09Å; L391-H393 VanDerWaalsContact C-N 3.3Å; L391-H393 PolarHBondContact O-N 3.31Å; L391-K394 WeakPolarHBondContact O-CB 3.45Å; L391-K394 PolarHBondContact O-N 2.79Å; L391-F395 PolarHBondContact O-N 2.68Å
392D95.6Very high95.2Very high2 Ų248.2 Ų48.21%0.01124%0.243CC..Hα-helixtrans-57.2-44.6-180-80.626.5000111I188 W388 K394 F395 D396 R422 E429I188-D392 WeakPolarHBondContact CD1-OD1 3.42Å; W388-D392 PolarHBondContact O-N 3.45Å; D392-K394 VanDerWaalsContact C-N 3.35Å; D392-K394 PolarHBondContact O-N 2.69Å; D392-F395 WeakPolarHBondContact O-CB 3.23Å; D392-F395 PolarHBondContact O-N 3.26Å; D392-D396 WeakPolarHBondContact O-CB 3.42Å; D392-D396 PolarHBondContact O-N 2.95Å; D392-R422 IonicContact OD2-CZ 3.66Å; D392-R422 IonicContact OD2-NE 2.78Å; D392-R422 IonicContact OD2-NH1 2.71Å; D392-R422 PolarHBondContact OD2-NH1 3.15Å; D392-R422 IonicContact OD2-NH2 3.25Å; D392-E429 VanDerWaalsContact CG-OE1 3.27Å; D392-E429 VanDerWaalsContact OD2-OE1 3.1Å
393H95.9Very high95.2Very high114 Ų11449 Ų4953%0.52825%0.252SS..Hα-helixtrans-59-43.3175.2-17862.8000113A389 L391 D396 L397A389-H393 VanDerWaalsContact O-CB 3.26Å; A389-H393 WeakPolarHBondContact O-CB 3.45Å; A389-H393 PolarHBondContact O-N 3.38Å; L391-H393 VanDerWaalsContact C-N 3.3Å; L391-H393 PolarHBondContact O-N 3.31Å; H393-D396 PolarHBondContact O-N 3.21Å; H393-L397 WeakPolarHBondContact O-CG 3.44Å; H393-L397 PolarHBondContact O-N 3.13Å; H393-L397 VanDerWaalsContact O-N 3.15Å
394K94.4Very high95.3Very high69 Ų6952.7 Ų52.730%0.327%0.267SS..Hα-helixtrans-68.2-39.3177.6-70.4173.3-175.4171.60111.4P184 R390 L391 D392 M398P184-K394 HydrophobicContact CB-CB 3.95Å; P184-K394 HydrophobicContact CG-CB 3.76Å; P184-K394 HydrophobicContact CG-CD 4.14Å; R390-K394 WeakPolarHBondContact O-CG 3.43Å; R390-K394 PolarHBondContact O-N 3.04Å; L391-K394 WeakPolarHBondContact O-CB 3.45Å; L391-K394 PolarHBondContact O-N 2.79Å; D392-K394 VanDerWaalsContact C-N 3.35Å; D392-K394 PolarHBondContact O-N 2.69Å; K394-M398 WeakPolarHBondContact O-CG 3.14Å; K394-M398 PolarHBondContact O-N 3.24Å
395F96.4Very high95.5Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-57.5-51.4174.1178.9-77.4000110.4Y185 I188 L391 D392 L397 M398 Y399 F418 R422Y185-F395 AromaticContact CD1-CD2 3.43Å; Y185-F395 HydrophobicContact CD1-CD2 3.43Å; Y185-F395 VanDerWaalsContact CD1-CD2 3.43Å; Y185-F395 AromaticContact CD1-CE2 3.53Å; Y185-F395 HydrophobicContact CD1-CE2 3.53Å; Y185-F395 HydrophobicContact CD1-CG 4.19Å; Y185-F395 HydrophobicContact CD1-CZ 4.36Å; Y185-F395 AromaticContact CE1-CD2 3.88Å; Y185-F395 HydrophobicContact CE1-CD2 3.88Å; Y185-F395 AromaticContact CE1-CE2 3.93Å; Y185-F395 HydrophobicContact CE1-CE2 3.93Å; Y185-F395 HydrophobicContact CE1-CG 4.25Å; Y185-F395 HydrophobicContact CE1-CZ 4.35Å; I188-F395 HydrophobicContact CB-CD2 3.79Å; I188-F395 HydrophobicContact CB-CE2 4.05Å; I188-F395 HydrophobicContact CG1-CB 4.15Å; I188-F395 HydrophobicContact CG1-CD2 3.62Å; I188-F395 HydrophobicContact CG1-CE2 4.37Å; I188-F395 HydrophobicContact CG1-CG 4.13Å; I188-F395 HydrophobicContact CG2-CD2 4Å; I188-F395 HydrophobicContact CG2-CE2 3.92Å; L391-F395 PolarHBondContact O-N 2.68Å; D392-F395 WeakPolarHBondContact O-CB 3.23Å; D392-F395 PolarHBondContact O-N 3.26Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 2.78Å; F395-M398 PolarHBondContact O-N 3.02Å; F395-M398 VanDerWaalsContact O-N 3.15Å; F395-Y399 AromaticContact CE1-CD1 3.89Å; F395-Y399 HydrophobicContact CE1-CD1 3.89Å; F395-Y399 AromaticContact CE1-CG 3.86Å; F395-Y399 HydrophobicContact CE1-CG 3.86Å; F395-Y399 HydrophobicContact CZ-CD1 4.44Å; F395-Y399 HydrophobicContact CZ-CG 4.22Å; F395-Y399 WeakPolarHBondContact O-CB 3.29Å; F395-Y399 PolarHBondContact O-N 2.86Å; F395-F418 AromaticContact CE2-CD1 3.84Å; F395-F418 HydrophobicContact CE2-CD1 3.84Å; F395-F418 HydrophobicContact CZ-CB 4.18Å; F395-F418 AromaticContact CZ-CD1 3.83Å; F395-F418 HydrophobicContact CZ-CD1 3.83Å; F395-F418 WeakPolarHBondContact CZ-O 3.37Å; F395-R422 HydrophobicContact CD1-CB 4.38Å; F395-R422 HydrophobicContact CD1-CG 4.16Å; F395-R422 HydrophobicContact CE1-CB 3.74Å; F395-R422 HydrophobicContact CE1-CG 3.88Å; F395-R422 HydrophobicContact CZ-CB 4.07Å
396D97.3Very high95.6Very high62 Ų6257.6 Ų57.633%0.33229%0.286SS..Hα-helixtrans-60.3-43-176.6-70.2-23.4000111.7D392 H393 M398 Y399 A400 R422D392-D396 WeakPolarHBondContact O-CB 3.42Å; D392-D396 PolarHBondContact O-N 2.95Å; H393-D396 PolarHBondContact O-N 3.21Å; D396-M398 VanDerWaalsContact C-N 3.33Å; D396-M398 PolarHBondContact O-N 3.2Å; D396-Y399 PolarHBondContact O-N 3.04Å; D396-A400 WeakPolarHBondContact O-CB 3.02Å; D396-A400 PolarHBondContact O-N 3.32Å; D396-R422 IonicContact OD1-CZ 3.88Å; D396-R422 IonicContact OD1-NE 2.88Å; D396-R422 PolarHBondContact OD1-NE 3.32Å; D396-R422 IonicContact OD1-NH2 3.78Å; D396-R422 IonicContact OD2-CZ 2.82Å; D396-R422 IonicContact OD2-NE 3.86Å; D396-R422 PolarHBondContact OD2-NE 2.83Å; D396-R422 IonicContact OD2-NH2 3.63Å; D396-R422 PolarHBondContact OD2-NH2 2.7Å
397L97.1Very high95.8Very high110 Ų11061.7 Ų61.758%0.57630%0.299SS*.Hα-helixtrans-58.7-42.3177-74.1175.5000112.7H393 F395H393-L397 WeakPolarHBondContact O-CG 3.44Å; H393-L397 PolarHBondContact O-N 3.13Å; H393-L397 VanDerWaalsContact O-N 3.15Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-L397 PolarHBondContact O-N 2.78Å
398M96.6Very high96.1Very high30 Ų3061.8 Ų61.815%0.14830%0.299CS..Hα-helixtrans-76.5-45.3179.5-64.5-170.7-60.700111.5P184 Y185 K394 F395 D396 A400 K401 R402 A403P184-M398 HydrophobicContact CB-CE 3.58Å; P184-M398 HydrophobicContact CG-CE 3.62Å; Y185-M398 HydrophobicContact CD1-CE 3.97Å; Y185-M398 HydrophobicContact CD2-CE 4.45Å; Y185-M398 HydrophobicContact CE1-CB 4.03Å; Y185-M398 HydrophobicContact CE1-CE 3.98Å; Y185-M398 HydrophobicContact CE2-CB 4.47Å; Y185-M398 HydrophobicContact CE2-CE 4.46Å; Y185-M398 HydrophobicContact CG-CE 4.23Å; Y185-M398 WeakPolarHBondContact OH-CB 3.45Å; Y185-M398 PolarHBondContact OH-O 2.76Å; K394-M398 WeakPolarHBondContact O-CG 3.14Å; K394-M398 PolarHBondContact O-N 3.24Å; F395-M398 PolarHBondContact O-N 3.02Å; F395-M398 VanDerWaalsContact O-N 3.15Å; D396-M398 VanDerWaalsContact C-N 3.33Å; D396-M398 PolarHBondContact O-N 3.2Å; M398-A400 PolarHBondContact O-N 2.95Å; M398-K401 PolarHBondContact O-N 3.46Å; M398-K401 VanDerWaalsContact O-N 3.11Å; M398-R402 PolarHBondContact O-N 3.24Å; M398-A403 PolarHBondContact O-N 2.92Å; M398-A403 VanDerWaalsContact O-N 3.16Å
399Y97.2Very high96.2Very high23 Ų2364.8 Ų64.89%0.0932%0.317CS..Hα-helixtrans-70.5-30.9-174-167.6-120.4000112.8Y185 F395 D396 K401 R402 V405 F418 S419Y185-Y399 WeakPolarHBondContact OH-CA 3.43Å; Y185-Y399 PolarHBondContact OH-N 2.91Å; F395-Y399 AromaticContact CE1-CD1 3.89Å; F395-Y399 HydrophobicContact CE1-CD1 3.89Å; F395-Y399 AromaticContact CE1-CG 3.86Å; F395-Y399 HydrophobicContact CE1-CG 3.86Å; F395-Y399 HydrophobicContact CZ-CD1 4.44Å; F395-Y399 HydrophobicContact CZ-CG 4.22Å; F395-Y399 WeakPolarHBondContact O-CB 3.29Å; F395-Y399 PolarHBondContact O-N 2.86Å; D396-Y399 PolarHBondContact O-N 3.04Å; Y399-K401 PolarHBondContact O-N 2.76Å; Y399-K401 VanDerWaalsContact O-N 3.08Å; Y399-R402 PolarHBondContact O-N 3.03Å; Y399-R402 PolarHBondContact O-NH1 3.35Å; Y399-V405 HydrophobicContact CD2-CG2 3.82Å; Y399-V405 HydrophobicContact CE2-CG2 3.98Å; Y399-F418 HydrophobicContact CD2-CB 4.24Å; Y399-F418 HydrophobicContact CD2-CD1 4.34Å; Y399-F418 HydrophobicContact CD2-CG 4.35Å; Y399-F418 HydrophobicContact CE1-CB 4.38Å; Y399-F418 HydrophobicContact CE2-CB 3.52Å; Y399-F418 HydrophobicContact CE2-CD1 4.29Å; Y399-F418 HydrophobicContact CE2-CD2 4.41Å; Y399-F418 AromaticContact CE2-CG 3.84Å; Y399-F418 HydrophobicContact CE2-CG 3.84Å; Y399-S419 PolarHBondContact OH-OG 3.36Å; Y399-S419 VanDerWaalsContact OH-OG 3.05Å
400A96.9Very high96.3Very high73 Ų7365.7 Ų65.760%0.60333%0.331SS*.THydrogen-bonded Turntrans-57.5-23.3171.600000113.3D396 M398D396-A400 WeakPolarHBondContact O-CB 3.02Å; D396-A400 PolarHBondContact O-N 3.32Å; M398-A400 PolarHBondContact O-N 2.95Å
401K96.9Very high96.5Very high174 Ų17463.5 Ų63.576%0.75732%0.324SS*.THydrogen-bonded Turntrans-106.32.8174.9-58.3-55.9179-166.50113.6M398 Y399 A403M398-K401 PolarHBondContact O-N 3.46Å; M398-K401 VanDerWaalsContact O-N 3.11Å; Y399-K401 PolarHBondContact O-N 2.76Å; Y399-K401 VanDerWaalsContact O-N 3.08Å; K401-A403 PolarHBondContact O-N 3.07Å; K401-A403 VanDerWaalsContact O-N 3.11Å
402R95.9Very high96.5Very high115 Ų11566.2 Ų66.243%0.43435%0.352SS..THydrogen-bonded Turntrans49.232.4-170.7-58.8-63.4-168.8-93.23.5112.1M398 Y399 F404 V405 E415M398-R402 PolarHBondContact O-N 3.24Å; Y399-R402 PolarHBondContact O-N 3.03Å; Y399-R402 PolarHBondContact O-NH1 3.35Å; R402-F404 PolarHBondContact O-N 2.64Å; R402-V405 HydrophobicContact CB-CB 4.47Å; R402-V405 HydrophobicContact CB-CG2 4.21Å; R402-E415 WeakPolarHBondContact CD-OE1 3.05Å; R402-E415 IonicContact CZ-OE1 2.92Å; R402-E415 IonicContact NE-OE1 3.91Å; R402-E415 PolarHBondContact NE-OE1 2.97Å
403A96.9Very high96.6Very high32 Ų3266.3 Ų66.326%0.26435%0.353SS..THydrogen-bonded Turntrans-63134.4179.400000108.5Y185 M398 K401 V405Y185-A403 WeakPolarHBondContact CE2-O 3.29Å; Y185-A403 PolarHBondContact OH-O 3.45Å; Y185-A403 VanDerWaalsContact OH-O 3.13Å; M398-A403 PolarHBondContact O-N 2.92Å; M398-A403 VanDerWaalsContact O-N 3.16Å; K401-A403 PolarHBondContact O-N 3.07Å; K401-A403 VanDerWaalsContact O-N 3.11Å; A403-V405 PolarHBondContact O-N 3.23Å
404F97Very high96.6Very high82 Ų8267.8 Ų67.836%0.3636%0.36SS..THydrogen-bonded Turntrans62-8.3178.7-48.5-76.8000118V181 V182 Y185 R402 H406 W407V181-F404 HydrophobicContact CG1-CE2 3.86Å; V181-F404 HydrophobicContact CG1-CZ 4.14Å; V182-F404 HydrophobicContact CG1-CB 3.67Å; V182-F404 HydrophobicContact CG1-CD1 4.21Å; V182-F404 HydrophobicContact CG1-CD2 3.95Å; V182-F404 HydrophobicContact CG1-CG 3.68Å; Y185-F404 HydrophobicContact CE2-CB 4.35Å; R402-F404 PolarHBondContact O-N 2.64Å; F404-H406 PolarHBondContact O-N 3.5Å; F404-H406 VanDerWaalsContact O-N 3.16Å; F404-W407 WeakPolarHBondContact O-CB 3.24Å; F404-W407 PolarHBondContact O-N 3.01Å
405V97.2Very high96.6Very high6 Ų668.7 Ų68.74%0.03637%0.365CS..Hα-helixtrans-54.3-37.7-178.6174.10000113.1Y185 Y399 R402 A403 W407 Y408 V409 E415 F418Y185-V405 HydrophobicContact CE2-CG2 4.37Å; Y399-V405 HydrophobicContact CD2-CG2 3.82Å; Y399-V405 HydrophobicContact CE2-CG2 3.98Å; R402-V405 HydrophobicContact CB-CB 4.47Å; R402-V405 HydrophobicContact CB-CG2 4.21Å; A403-V405 PolarHBondContact O-N 3.23Å; V405-W407 PolarHBondContact O-N 3.06Å; V405-W407 VanDerWaalsContact O-N 3.12Å; V405-Y408 WeakPolarHBondContact O-CB 3.35Å; V405-Y408 PolarHBondContact O-N 3.27Å; V405-V409 HydrophobicContact CG1-CG2 4.02Å; V405-V409 PolarHBondContact O-N 3.36Å; V405-V409 VanDerWaalsContact O-N 3.14Å; V405-E415 HydrophobicContact CG1-CG 4.02Å; V405-F418 HydrophobicContact CG1-CD2 4.4Å; V405-F418 HydrophobicContact CG1-CE2 4.12Å
406H96.8Very high96.6Very high120 Ų12070.4 Ų70.456%0.55638%0.382SS*.Hα-helixtrans-58.6-26.2179.464.5-84.1000114.2F404 Y408 G410F404-H406 PolarHBondContact O-N 3.5Å; F404-H406 VanDerWaalsContact O-N 3.16Å; H406-Y408 VanDerWaalsContact C-N 3.33Å; H406-G410 PolarHBondContact O-N 3.13Å
407W97.3Very high96.6Very high153 Ų15369.1 Ų69.158%0.5838%0.375SS*.Hα-helixtrans-68.2-33.5174.7-71.5110.4000112.3N102 F404 V405 E411N102-W407 VanDerWaalsContact ND2-C 3.35Å; N102-W407 PolarHBondContact ND2-O 3.48Å; F404-W407 WeakPolarHBondContact O-CB 3.24Å; F404-W407 PolarHBondContact O-N 3.01Å; V405-W407 PolarHBondContact O-N 3.06Å; V405-W407 VanDerWaalsContact O-N 3.12Å; W407-E411 VanDerWaalsContact O-CG 3.3Å; W407-E411 WeakPolarHBondContact O-CG 3.45Å
408Y97.9Very high96.6Very high2 Ų263.9 Ų63.91%0.00835%0.347CS..Hα-helixtrans-78.8-46.8179.9-65.9-106.2000110.2N102 A104 V182 Y185 N186 L189 V405 H406 G410 E411 M413 F418N102-Y408 VanDerWaalsContact OD1-CD1 3.26Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.37Å; A104-Y408 HydrophobicContact CB-CD1 4.24Å; A104-Y408 WeakPolarHBondContact CB-O 3.28Å; V182-Y408 WeakPolarHBondContact CB-OH 3.49Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.35Å; Y185-Y408 AromaticContact CD2-CE2 3.85Å; Y185-Y408 HydrophobicContact CD2-CE2 3.85Å; N186-Y408 WeakPolarHBondContact OD1-CE1 3.47Å; N186-Y408 PolarHBondContact OD1-OH 2.92Å; L189-Y408 HydrophobicContact CD1-CD1 4.01Å; L189-Y408 HydrophobicContact CD1-CE1 3.94Å; V405-Y408 WeakPolarHBondContact O-CB 3.35Å; V405-Y408 PolarHBondContact O-N 3.27Å; H406-Y408 VanDerWaalsContact C-N 3.33Å; Y408-G410 VanDerWaalsContact C-N 3.28Å; Y408-G410 PolarHBondContact O-N 3.45Å; Y408-E411 PolarHBondContact O-N 3.19Å; Y408-M413 HydrophobicContact CD1-SD 4.01Å; Y408-M413 HydrophobicContact CG-SD 4.46Å; Y408-M413 WeakPolarHBondContact O-CB 3.4Å; Y408-F418 HydrophobicContact CD1-CE2 4.49Å; Y408-F418 AromaticContact CD1-CZ 3.75Å; Y408-F418 HydrophobicContact CD1-CZ 3.75Å; Y408-F418 AromaticContact CD2-CZ 3.8Å; Y408-F418 HydrophobicContact CD2-CZ 3.8Å; Y408-F418 HydrophobicContact CE1-CZ 4.3Å; Y408-F418 HydrophobicContact CE2-CZ 4.36Å; Y408-F418 HydrophobicContact CG-CE2 4.08Å; Y408-F418 AromaticContact CG-CZ 3.49Å; Y408-F418 HydrophobicContact CG-CZ 3.49Å; Y408-F418 VanDerWaalsContact CG-CZ 3.49Å
409V97.1Very high96.6Very high62 Ų6264.4 Ų64.438%0.37635%0.354SS..Hα-helixtrans-62.3-36.6178179.30000111.9V405 E411 G412 M413 E415V405-V409 HydrophobicContact CG1-CG2 4.02Å; V405-V409 PolarHBondContact O-N 3.36Å; V405-V409 VanDerWaalsContact O-N 3.14Å; V409-E411 PolarHBondContact O-N 2.69Å; V409-G412 PolarHBondContact O-N 3.23Å; V409-M413 WeakPolarHBondContact CA-O 3.4Å; V409-E415 HydrophobicContact CG2-CB 3.97Å
410G95.9Very high96.6Very high65 Ų6568.8 Ų68.867%0.6738%0.375SS*.THydrogen-bonded Turntrans-64.2-15.8175.100000114.4H406 Y408H406-G410 PolarHBondContact O-N 3.13Å; Y408-G410 VanDerWaalsContact C-N 3.28Å; Y408-G410 PolarHBondContact O-N 3.45Å
411E96.6Very high96.6Very high39 Ų3965.3 Ų65.318%0.18235%0.346CS..THydrogen-bonded Turntrans-109.325.5-177-66.7-77.1-175.500111.6A104 R105 T109 W407 Y408 V409A104-E411 HydrophobicContact CB-CB 3.77Å; R105-E411 WeakPolarHBondContact CD-OE1 3.48Å; R105-E411 HydrophobicContact CG-CB 4.04Å; R105-E411 HydrophobicContact CG-CG 3.51Å; R105-E411 WeakPolarHBondContact CG-OE1 3.46Å; R105-E411 IonicContact CZ-OE1 2.74Å; R105-E411 IonicContact NE-OE1 3.58Å; R105-E411 IonicContact NH1-OE1 3.96Å; R105-E411 PolarHBondContact NH1-OE1 3.19Å; R105-E411 IonicContact NH1-OE2 2.72Å; T109-E411 HydrophobicContact CG2-CB 4.46Å; T109-E411 VanDerWaalsContact CG2-O 3.31Å; T109-E411 WeakPolarHBondContact CG2-O 3.44Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.5Å; T109-E411 PolarHBondContact OG1-OE2 2.78Å; W407-E411 VanDerWaalsContact O-CG 3.3Å; W407-E411 WeakPolarHBondContact O-CG 3.45Å; Y408-E411 PolarHBondContact O-N 3.19Å; V409-E411 PolarHBondContact O-N 2.69Å
412G93.6Very high96.6Very high57 Ų5759.2 Ų59.259%0.58832%0.319SS*.THydrogen-bonded Turntrans83.810.4168.900000115.7V409V409-G412 PolarHBondContact O-N 3.23Å
413M97.6Very high96.7Very high4 Ų460.4 Ų60.42%0.0233%0.329CS..  trans-89.2140.3172-177.5-179.6167.500110.6Y103 A104 Y108 L189 Y408 V409 E417 F418Y103-M413 HydrophobicContact CD1-SD 4.22Å; A104-M413 HydrophobicContact CB-CB 3.72Å; A104-M413 HydrophobicContact CB-SD 4.15Å; Y108-M413 HydrophobicContact CD2-CB 3.85Å; Y108-M413 HydrophobicContact CD2-CG 4.36Å; Y108-M413 HydrophobicContact CE2-CB 3.77Å; Y108-M413 HydrophobicContact CE2-CG 3.79Å; L189-M413 HydrophobicContact CD1-CE 3.62Å; L189-M413 HydrophobicContact CD1-SD 3.99Å; L189-M413 HydrophobicContact CD2-CE 3.35Å; L189-M413 HydrophobicContact CG-CE 4.11Å; Y408-M413 HydrophobicContact CD1-SD 4.01Å; Y408-M413 HydrophobicContact CG-SD 4.46Å; Y408-M413 WeakPolarHBondContact O-CB 3.4Å; V409-M413 WeakPolarHBondContact CA-O 3.4Å; M413-E417 HydrophobicContact CE-CB 3.44Å; M413-E417 VanDerWaalsContact CE-CB 3.44Å; M413-E417 HydrophobicContact CE-CG 4.42Å; M413-E417 HydrophobicContact CG-CB 4.4Å; M413-E417 WeakPolarHBondContact CG-OE2 3.14Å; M413-F418 HydrophobicContact CE-CD2 3.76Å; M413-F418 HydrophobicContact CE-CE2 3.68Å; M413-F418 HydrophobicContact CE-CG 4.32Å; M413-F418 HydrophobicContact CE-CZ 4.19Å; M413-F418 HydrophobicContact SD-CE2 4.1Å; M413-F418 HydrophobicContact SD-CZ 4.47Å
414E96.8Very high96.7Very high146 Ų14660.3 Ų60.368%0.68232%0.324SS*.  trans-78.5142.6174.1-64.9-167176.200111.2G416 E417E414-G416 PolarHBondContact O-N 2.98Å; E414-E417 HydrophobicContact CB-CG 4.48Å; E414-E417 PolarHBondContact N-OE1 2.84Å; E414-E417 VanDerWaalsContact N-OE1 3.12Å; E414-E417 WeakPolarHBondContact O-CB 3.43Å; E414-E417 PolarHBondContact O-N 2.82Å
415E94.4Very high96.7Very high88 Ų8856.4 Ų56.441%0.41131%0.307SS..THydrogen-bonded Turntrans-62.1-28.3177.9-173.6176.5164.200111.8R402 V405 V409 E417 F418R402-E415 WeakPolarHBondContact CD-OE1 3.05Å; R402-E415 IonicContact CZ-OE1 2.92Å; R402-E415 IonicContact NE-OE1 3.91Å; R402-E415 PolarHBondContact NE-OE1 2.97Å; V405-E415 HydrophobicContact CG1-CG 4.02Å; V409-E415 HydrophobicContact CG2-CB 3.97Å; E415-E417 VanDerWaalsContact C-N 3.25Å; E415-E417 PolarHBondContact O-N 2.96Å; E415-F418 PolarHBondContact O-N 3.05Å
416G95.4Very high96.6Very high35 Ų3558.1 Ų58.136%0.36132%0.322SS..Hα-helixtrans-58.3-34.5178.200000113.7E414 F418 S419 E420E414-G416 PolarHBondContact O-N 2.98Å; G416-F418 PolarHBondContact O-N 3.16Å; G416-F418 VanDerWaalsContact O-N 3.15Å; G416-S419 WeakPolarHBondContact O-CB 3.3Å; G416-S419 PolarHBondContact O-N 3.13Å; G416-E420 PolarHBondContact O-N 2.96Å; G416-E420 VanDerWaalsContact O-N 3.09Å
417E97.1Very high96.6Very high36 Ų3654.4 Ų54.417%0.16831%0.312CS..Hα-helixtrans-59.5-29-178.9-70.7176-133.400112.7Y108 M413 E414 E415 S419 A421Y108-E417 PolarHBondContact OH-OE1 2.92Å; Y108-E417 VanDerWaalsContact OH-OE1 3.07Å; Y108-E417 PolarHBondContact OH-OE2 3.32Å; M413-E417 HydrophobicContact CE-CB 3.44Å; M413-E417 VanDerWaalsContact CE-CB 3.44Å; M413-E417 HydrophobicContact CE-CG 4.42Å; M413-E417 HydrophobicContact CG-CB 4.4Å; M413-E417 WeakPolarHBondContact CG-OE2 3.14Å; E414-E417 HydrophobicContact CB-CG 4.48Å; E414-E417 PolarHBondContact N-OE1 2.84Å; E414-E417 VanDerWaalsContact N-OE1 3.12Å; E414-E417 WeakPolarHBondContact O-CB 3.43Å; E414-E417 PolarHBondContact O-N 2.82Å; E415-E417 VanDerWaalsContact C-N 3.25Å; E415-E417 PolarHBondContact O-N 2.96Å; E417-S419 VanDerWaalsContact C-N 3.34Å; E417-A421 VanDerWaalsContact O-CB 3.24Å; E417-A421 WeakPolarHBondContact O-CB 3.35Å; E417-A421 PolarHBondContact O-N 3.38Å
418F97.3Very high96.5Very high0 Ų047.1 Ų47.10%029%0.285CS..Hα-helixtrans-63.8-41.2174.1-80.6-84.6000112.3Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422Y185-F418 HydrophobicContact CD1-CD1 4.29Å; Y185-F418 AromaticContact CD1-CE1 3.92Å; Y185-F418 HydrophobicContact CD1-CE1 3.92Å; Y185-F418 AromaticContact CD2-CE1 3.99Å; Y185-F418 HydrophobicContact CD2-CE1 3.99Å; Y185-F418 HydrophobicContact CE1-CD1 4.49Å; Y185-F418 HydrophobicContact CE1-CE1 4.31Å; Y185-F418 HydrophobicContact CE2-CE1 4.35Å; Y185-F418 AromaticContact CG-CE1 3.74Å; Y185-F418 HydrophobicContact CG-CE1 3.74Å; L189-F418 HydrophobicContact CD1-CE1 3.97Å; L189-F418 HydrophobicContact CD1-CZ 4.16Å; L189-F418 HydrophobicContact CD2-CD1 4.47Å; F395-F418 AromaticContact CE2-CD1 3.84Å; F395-F418 HydrophobicContact CE2-CD1 3.84Å; F395-F418 HydrophobicContact CZ-CB 4.18Å; F395-F418 AromaticContact CZ-CD1 3.83Å; F395-F418 HydrophobicContact CZ-CD1 3.83Å; F395-F418 WeakPolarHBondContact CZ-O 3.37Å; Y399-F418 HydrophobicContact CD2-CB 4.24Å; Y399-F418 HydrophobicContact CD2-CD1 4.34Å; Y399-F418 HydrophobicContact CD2-CG 4.35Å; Y399-F418 HydrophobicContact CE1-CB 4.38Å; Y399-F418 HydrophobicContact CE2-CB 3.52Å; Y399-F418 HydrophobicContact CE2-CD1 4.29Å; Y399-F418 HydrophobicContact CE2-CD2 4.41Å; Y399-F418 AromaticContact CE2-CG 3.84Å; Y399-F418 HydrophobicContact CE2-CG 3.84Å; V405-F418 HydrophobicContact CG1-CD2 4.4Å; V405-F418 HydrophobicContact CG1-CE2 4.12Å; Y408-F418 HydrophobicContact CD1-CE2 4.49Å; Y408-F418 AromaticContact CD1-CZ 3.75Å; Y408-F418 HydrophobicContact CD1-CZ 3.75Å; Y408-F418 AromaticContact CD2-CZ 3.8Å; Y408-F418 HydrophobicContact CD2-CZ 3.8Å; Y408-F418 HydrophobicContact CE1-CZ 4.3Å; Y408-F418 HydrophobicContact CE2-CZ 4.36Å; Y408-F418 HydrophobicContact CG-CE2 4.08Å; 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 3.76Å; M413-F418 HydrophobicContact CE-CE2 3.68Å; M413-F418 HydrophobicContact CE-CG 4.32Å; M413-F418 HydrophobicContact CE-CZ 4.19Å; M413-F418 HydrophobicContact SD-CE2 4.1Å; M413-F418 HydrophobicContact SD-CZ 4.47Å; E415-F418 PolarHBondContact O-N 3.05Å; G416-F418 PolarHBondContact O-N 3.16Å; G416-F418 VanDerWaalsContact O-N 3.15Å; F418-R422 VanDerWaalsContact O-CB 3.29Å; F418-R422 WeakPolarHBondContact O-CB 3.35Å; F418-R422 PolarHBondContact O-N 3.45Å; F418-R422 VanDerWaalsContact O-N 3.13Å
419S96.1Very high96.3Very high41 Ų4149 Ų4929%0.28729%0.293SS..Hα-helixtrans-72.9-42.9-179.3-50.30000110Y399 G416 E417 R422 E423Y399-S419 PolarHBondContact OH-OG 3.36Å; Y399-S419 VanDerWaalsContact OH-OG 3.05Å; G416-S419 WeakPolarHBondContact O-CB 3.3Å; G416-S419 PolarHBondContact O-N 3.13Å; E417-S419 VanDerWaalsContact C-N 3.34Å; S419-R422 PolarHBondContact O-N 3.15Å; S419-E423 WeakPolarHBondContact O-CB 3.21Å; S419-E423 WeakPolarHBondContact O-CG 3.34Å; S419-E423 PolarHBondContact O-N 2.94Å
420E97.6Very high96.2Very high115 Ų11551.4 Ų51.454%0.53730%0.299SS..Hα-helixtrans-59.6-48.9176.7-67.5175.3-175.700111.6G416 R422 E423 D424G416-E420 PolarHBondContact O-N 2.96Å; G416-E420 VanDerWaalsContact O-N 3.09Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 3.33Å; E420-E423 PolarHBondContact O-N 3.47Å; E420-D424 PolarHBondContact O-N 3.32Å
421A97.5Very high96.2Very high0 Ų050.3 Ų50.30%028%0.277CS..Hα-helixtrans-61.5-39.1177.100000112.1I188 L189 H192 E417 D424 M425I188-A421 HydrophobicContact CG2-CB 3.95Å; L189-A421 HydrophobicContact CD2-CB 3.88Å; H192-A421 HydrophobicContact CB-CB 3.61Å; E417-A421 VanDerWaalsContact O-CB 3.24Å; E417-A421 WeakPolarHBondContact O-CB 3.35Å; E417-A421 PolarHBondContact O-N 3.38Å; A421-D424 PolarHBondContact O-N 3.02Å; A421-M425 VanDerWaalsContact O-CG 3.28Å; A421-M425 WeakPolarHBondContact O-CG 3.47Å; A421-M425 PolarHBondContact O-N 2.83Å
422R97.6Very high96.1Very high46 Ų4648.6 Ų48.617%0.17427%0.269CS..Hα-helixtrans-68.8-37.5178.3177.660-172.6104.2-10.5112.7D392 F395 D396 F418 S419 E420 M425 A426D392-R422 IonicContact OD2-CZ 3.66Å; D392-R422 IonicContact OD2-NE 2.78Å; D392-R422 IonicContact OD2-NH1 2.71Å; D392-R422 PolarHBondContact OD2-NH1 3.15Å; D392-R422 IonicContact OD2-NH2 3.25Å; F395-R422 HydrophobicContact CD1-CB 4.38Å; F395-R422 HydrophobicContact CD1-CG 4.16Å; F395-R422 HydrophobicContact CE1-CB 3.74Å; F395-R422 HydrophobicContact CE1-CG 3.88Å; F395-R422 HydrophobicContact CZ-CB 4.07Å; D396-R422 IonicContact OD1-CZ 3.88Å; D396-R422 IonicContact OD1-NE 2.88Å; D396-R422 PolarHBondContact OD1-NE 3.32Å; D396-R422 IonicContact OD1-NH2 3.78Å; D396-R422 IonicContact OD2-CZ 2.82Å; D396-R422 IonicContact OD2-NE 3.86Å; D396-R422 PolarHBondContact OD2-NE 2.83Å; D396-R422 IonicContact OD2-NH2 3.63Å; D396-R422 PolarHBondContact OD2-NH2 2.7Å; F418-R422 VanDerWaalsContact O-CB 3.29Å; F418-R422 WeakPolarHBondContact O-CB 3.35Å; F418-R422 PolarHBondContact O-N 3.45Å; F418-R422 VanDerWaalsContact O-N 3.13Å; S419-R422 PolarHBondContact O-N 3.15Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 3.33Å; R422-M425 PolarHBondContact O-N 3.38Å; R422-A426 PolarHBondContact O-N 3.37Å
423E97.1Very high96Very high139 Ų13952.4 Ų52.465%0.6527%0.272SS*.Hα-helixtrans-66.7-40.9175.7-75.3175.4-165.800111.4S419 E420 A426 A427S419-E423 WeakPolarHBondContact O-CB 3.21Å; S419-E423 WeakPolarHBondContact O-CG 3.34Å; S419-E423 PolarHBondContact O-N 2.94Å; E420-E423 PolarHBondContact O-N 3.47Å; E423-A426 WeakPolarHBondContact O-CB 3.19Å; E423-A426 PolarHBondContact O-N 3.12Å; E423-A427 PolarHBondContact O-N 2.85Å
424D97.1Very high95.8Very high30 Ų3057.3 Ų57.316%0.1630%0.295CS..Hα-helixtrans-65.1-38.7175.3-173.532.5000112.2H192 R264 E420 A421 A427 L428H192-D424 IonicContact CE1-OD2 2.78Å; H192-D424 IonicContact CG-OD2 3.78Å; H192-D424 WeakPolarHBondContact ND1-CB 3.12Å; H192-D424 IonicContact ND1-OD2 3.96Å; H192-D424 PolarHBondContact ND1-OD2 3.34Å; R264-D424 IonicContact CZ-OD1 2.96Å; R264-D424 VanDerWaalsContact CZ-OD1 3.25Å; R264-D424 IonicContact NH1-OD1 3.41Å; R264-D424 PolarHBondContact NH1-OD1 3.17Å; R264-D424 PolarHBondContact NH2-O 3.12Å; R264-D424 IonicContact NH2-OD1 3.07Å; R264-D424 PolarHBondContact NH2-OD1 2.88Å; E420-D424 PolarHBondContact O-N 3.32Å; A421-D424 PolarHBondContact O-N 3.02Å; D424-A427 WeakPolarHBondContact O-CB 3.31Å; D424-A427 PolarHBondContact O-N 2.99Å; D424-L428 PolarHBondContact O-N 3.21Å
425M96.6Very high95.4Very high0 Ų051.3 Ų51.30%027%0.268CS..Hα-helixtrans-66.6-37.3173.3-67.7-57.2-57.900112.6I188 T191 W388 A421 R422 A427 L428 E429I188-M425 HydrophobicContact CD1-CE 4.31Å; I188-M425 HydrophobicContact CD1-CG 3.95Å; I188-M425 HydrophobicContact CG2-CG 3.92Å; T191-M425 HydrophobicContact CG2-CE 3.99Å; T191-M425 HydrophobicContact CG2-SD 3.55Å; T191-M425 VanDerWaalsContact CG2-SD 3.55Å; W388-M425 HydrophobicContact CB-CE 4.41Å; W388-M425 HydrophobicContact CD2-CE 3.72Å; W388-M425 HydrophobicContact CE3-CE 3.33Å; W388-M425 HydrophobicContact CG-CE 4.19Å; W388-M425 HydrophobicContact CZ3-CE 3.8Å; A421-M425 VanDerWaalsContact O-CG 3.28Å; A421-M425 WeakPolarHBondContact O-CG 3.47Å; A421-M425 PolarHBondContact O-N 2.83Å; R422-M425 PolarHBondContact O-N 3.38Å; M425-A427 VanDerWaalsContact C-N 3.3Å; M425-A427 PolarHBondContact O-N 2.96Å; M425-L428 HydrophobicContact CE-CD2 3.88Å; M425-L428 WeakPolarHBondContact O-CB 3.49Å; M425-L428 PolarHBondContact O-N 3.41Å; M425-L428 HydrophobicContact SD-CD2 4.19Å; M425-E429 PolarHBondContact O-N 2.82Å
426A95.3Very high95Very high43 Ų4348.2 Ų48.236%0.35526%0.26SS..Hα-helixtrans-62.3-39.3171.900000111.7R422 E423 E429 K430R422-A426 PolarHBondContact O-N 3.37Å; E423-A426 WeakPolarHBondContact O-CB 3.19Å; E423-A426 PolarHBondContact O-N 3.12Å; A426-E429 PolarHBondContact O-N 3.28Å; A426-K430 PolarHBondContact O-N 3.09Å; A426-K430 VanDerWaalsContact O-N 3.09Å
427A96.8Very high94.6Very high42 Ų4250.2 Ų50.235%0.34727%0.265SS..Hα-helixtrans-65-4017400000111.5E423 D424 M425 K430 D431E423-A427 PolarHBondContact O-N 2.85Å; D424-A427 WeakPolarHBondContact O-CB 3.31Å; D424-A427 PolarHBondContact O-N 2.99Å; M425-A427 VanDerWaalsContact C-N 3.3Å; M425-A427 PolarHBondContact O-N 2.96Å; A427-K430 WeakPolarHBondContact O-CB 3.46Å; A427-K430 PolarHBondContact O-N 3.25Å; A427-D431 VanDerWaalsContact O-CG 3.23Å; A427-D431 PolarHBondContact O-N 3.31Å
428L95.1Very high93.4Very high0 Ų051.6 Ų51.60%027%0.273CS..Hα-helixtrans-63-42174.8-177.164.8000112.5L195 R264 F267 D424 M425 K430 D431 Y432L195-L428 HydrophobicContact CD1-CD2 4.33Å; R264-L428 HydrophobicContact CB-CD1 4.28Å; R264-L428 WeakPolarHBondContact O-CD1 3.26Å; F267-L428 HydrophobicContact CE2-CD2 3.98Å; D424-L428 PolarHBondContact O-N 3.21Å; M425-L428 HydrophobicContact CE-CD2 3.88Å; M425-L428 WeakPolarHBondContact O-CB 3.49Å; M425-L428 PolarHBondContact O-N 3.41Å; M425-L428 HydrophobicContact SD-CD2 4.19Å; L428-K430 VanDerWaalsContact C-N 3.28Å; L428-K430 PolarHBondContact O-N 2.94Å; L428-D431 WeakPolarHBondContact O-CB 3.29Å; L428-D431 PolarHBondContact O-N 2.94Å; L428-Y432 HydrophobicContact CD1-CD2 4.38Å; L428-Y432 HydrophobicContact CD1-CE2 4.02Å; L428-Y432 HydrophobicContact CG-CD2 4.29Å; L428-Y432 HydrophobicContact CG-CE2 4.09Å; L428-Y432 VanDerWaalsContact O-CD2 3.28Å; L428-Y432 WeakPolarHBondContact O-CD2 3.48Å; L428-Y432 PolarHBondContact O-N 3.15Å
429E94.2Very high91.8Very high40 Ų4055 Ų5519%0.18730%0.297CS..Hα-helixtrans-58.6-43.8173.1-72.6-174.8-178.700111W388 A389 D392 M425 A426 D431 Y432 E433W388-E429 HydrophobicContact CB-CG 4.36Å; A389-E429 WeakPolarHBondContact CA-OE1 3.35Å; A389-E429 PolarHBondContact N-OE1 2.86Å; D392-E429 VanDerWaalsContact CG-OE1 3.27Å; D392-E429 VanDerWaalsContact OD2-OE1 3.1Å; M425-E429 PolarHBondContact O-N 2.82Å; A426-E429 PolarHBondContact O-N 3.28Å; E429-D431 PolarHBondContact O-N 3.25Å; E429-Y432 WeakPolarHBondContact O-CB 3.33Å; E429-Y432 PolarHBondContact O-N 3.01Å; E429-E433 PolarHBondContact O-N 2.9Å
430K94.9Very high89.8Confident113 Ų11360.1 Ų60.149%0.49132%0.32SS..Hα-helixtrans-63.8-39.9176.4-163.8-175.9-177.8-120.70112.6A426 A427 L428 Y432 E433 E434A426-K430 PolarHBondContact O-N 3.09Å; A426-K430 VanDerWaalsContact O-N 3.09Å; A427-K430 WeakPolarHBondContact O-CB 3.46Å; A427-K430 PolarHBondContact O-N 3.25Å; L428-K430 VanDerWaalsContact C-N 3.28Å; L428-K430 PolarHBondContact O-N 2.94Å; K430-Y432 PolarHBondContact O-N 3.12Å; K430-E433 WeakPolarHBondContact O-CB 3.34Å; K430-E433 PolarHBondContact O-N 3.11Å; K430-E433 VanDerWaalsContact O-N 3.12Å; K430-E434 VanDerWaalsContact CE-OE1 3.24Å; K430-E434 WeakPolarHBondContact CE-OE1 3.36Å; K430-E434 HydrophobicContact CG-CG 4.44Å; K430-E434 IonicContact NZ-OE1 3.16Å; K430-E434 PolarHBondContact NZ-OE1 3.28Å; K430-E434 WeakPolarHBondContact O-CG 3.48Å; K430-E434 PolarHBondContact O-N 2.89Å
431D94.8Very high87.5Confident42 Ų4261.6 Ų61.623%0.22533%0.327CS..Hα-helixtrans-56.7-40.9174.9-66.6-30.1000110.7R264 I265 A427 L428 E429 V435R264-D431 IonicContact CZ-OD2 2.66Å; R264-D431 IonicContact NE-OD2 3.66Å; R264-D431 PolarHBondContact NE-OD2 2.96Å; R264-D431 IonicContact NH2-OD2 3.86Å; I265-D431 HydrophobicContact CD1-CB 4.2Å; I265-D431 HydrophobicContact CG1-CB 4.4Å; A427-D431 VanDerWaalsContact O-CG 3.23Å; A427-D431 PolarHBondContact O-N 3.31Å; L428-D431 WeakPolarHBondContact O-CB 3.29Å; L428-D431 PolarHBondContact O-N 2.94Å; E429-D431 PolarHBondContact O-N 3.25Å; D431-V435 WeakPolarHBondContact O-CG2 3.5Å; D431-V435 PolarHBondContact O-N 3.41Å; D431-V435 VanDerWaalsContact O-N 3.13Å
432Y94.7Very high85Confident4 Ų464.8 Ų64.82%0.01636%0.359CS..Hα-helixtrans-69.4-37.4176-83.1-70.7000113.5I265 M313 T382 I384 A385 L428 E429 K430 G436I265-Y432 HydrophobicContact CB-CE1 4.42Å; I265-Y432 HydrophobicContact CG1-CE1 4.38Å; I265-Y432 HydrophobicContact CG2-CD1 4.13Å; I265-Y432 HydrophobicContact CG2-CE1 3.38Å; M313-Y432 HydrophobicContact CE-CE1 4.23Å; T382-Y432 HydrophobicContact CG2-CD1 4.25Å; I384-Y432 HydrophobicContact CG2-CE1 3.7Å; I384-Y432 HydrophobicContact CG2-CE2 4.31Å; I384-Y432 WeakPolarHBondContact CG2-OH 3.49Å; A385-Y432 HydrophobicContact CB-CD2 4.17Å; A385-Y432 HydrophobicContact CB-CG 3.96Å; L428-Y432 HydrophobicContact CD1-CD2 4.38Å; L428-Y432 HydrophobicContact CD1-CE2 4.02Å; L428-Y432 HydrophobicContact CG-CD2 4.29Å; L428-Y432 HydrophobicContact CG-CE2 4.09Å; L428-Y432 VanDerWaalsContact O-CD2 3.28Å; L428-Y432 WeakPolarHBondContact O-CD2 3.48Å; L428-Y432 PolarHBondContact O-N 3.15Å; E429-Y432 WeakPolarHBondContact O-CB 3.33Å; E429-Y432 PolarHBondContact O-N 3.01Å; K430-Y432 PolarHBondContact O-N 3.12Å; Y432-G436 PolarHBondContact O-N 3.14Å; Y432-G436 VanDerWaalsContact O-N 3.14Å
433E92.6Very high82.3Confident136 Ų13671.2 Ų71.264%0.63639%0.391SS*.Hα-helixtrans-62.7-49.3174.3-71.7-178.4171.400110.9E429 K430 V435 G436 V437E429-E433 PolarHBondContact O-N 2.9Å; K430-E433 WeakPolarHBondContact O-CB 3.34Å; K430-E433 PolarHBondContact O-N 3.11Å; K430-E433 VanDerWaalsContact O-N 3.12Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.16Å; E433-G436 WeakPolarHBondContact O-CA 3.41Å; E433-G436 PolarHBondContact O-N 3.08Å; E433-V437 PolarHBondContact O-N 2.9Å
434E92.2Very high79.7Confident108 Ų10867.6 Ų67.651%0.50539%0.392SS..Hα-helixtrans-60-41.2-180-71.9-179.4-171.800111.8K430 G436 V437K430-E434 VanDerWaalsContact CE-OE1 3.24Å; K430-E434 WeakPolarHBondContact CE-OE1 3.36Å; K430-E434 HydrophobicContact CG-CG 4.44Å; K430-E434 IonicContact NZ-OE1 3.16Å; K430-E434 PolarHBondContact NZ-OE1 3.28Å; K430-E434 WeakPolarHBondContact O-CG 3.48Å; K430-E434 PolarHBondContact O-N 2.89Å; E434-G436 PolarHBondContact O-N 3.11Å; E434-V437 PolarHBondContact O-N 3.46Å
435V90.2Very high77Confident19 Ų1975.2 Ų75.212%0.11543%0.427CS..Hα-helixtrans-68.9-23.4175172.80000112.7Y262 I265 M313 V344 W346 T382 D431 E433Y262-V435 HydrophobicContact CD2-CG2 4.08Å; Y262-V435 HydrophobicContact CE2-CG2 3.88Å; I265-V435 HydrophobicContact CD1-CB 4.33Å; I265-V435 HydrophobicContact CD1-CG2 3.58Å; M313-V435 HydrophobicContact CG-CG1 3.93Å; M313-V435 HydrophobicContact SD-CG1 3.65Å; V344-V435 HydrophobicContact CG1-CG1 4.26Å; W346-V435 HydrophobicContact CZ2-CG1 4.18Å; T382-V435 HydrophobicContact CG2-CB 4.35Å; T382-V435 HydrophobicContact CG2-CG1 3.98Å; D431-V435 WeakPolarHBondContact O-CG2 3.5Å; D431-V435 PolarHBondContact O-N 3.41Å; D431-V435 VanDerWaalsContact O-N 3.13Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.16Å
436G85.1Confident74.3Confident23 Ų2384.5 Ų84.524%0.23747%0.47CS..Hα-helixtrans-74.9-22.2176.100000114.1K311 Y432 E433 E434K311-G436 WeakPolarHBondContact CD-O 3.48Å; K311-G436 WeakPolarHBondContact CE-O 3.44Å; K311-G436 PolarHBondContact NZ-O 3.14Å; Y432-G436 PolarHBondContact O-N 3.14Å; Y432-G436 VanDerWaalsContact O-N 3.14Å; E433-G436 WeakPolarHBondContact O-CA 3.41Å; E433-G436 PolarHBondContact O-N 3.08Å; E434-G436 PolarHBondContact O-N 3.11Å
437V86.1Confident71.8Confident77 Ų7792 Ų9247%0.46750%0.498SS..SBendtrans-75.1139.5179.7-175.60000110.1E433 E434 E441E433-V437 PolarHBondContact O-N 2.9Å; E434-V437 PolarHBondContact O-N 3.46Å; V437-E441 HydrophobicContact CG1-CB 4.18Å
438D73.5Confident69.3Low65 Ų6593.4 Ų93.435%0.34852%0.516SS..  trans-74.7142173.7-74.4-46.6000110.4K311 I440 E441K311-D438 IonicContact NZ-OD1 2.86Å; K311-D438 PolarHBondContact NZ-OD1 3.13Å; K311-D438 IonicContact NZ-OD2 3.38Å; K311-D438 PolarHBondContact NZ-OD2 2.95Å; D438-I440 PolarHBondContact O-N 2.83Å; D438-E441 PolarHBondContact O-N 2.88Å
439S63.8Low66.9Low73 Ų73102.7 Ų102.751%0.5156%0.559SS.*THydrogen-bonded Turntrans-58.4-19-178-47.30000113.2D345D345-S439 VanDerWaalsContact CG-OG 3.23Å; D345-S439 PolarHBondContact OD1-OG 3.42Å; D345-S439 WeakPolarHBondContact OD2-CB 3.31Å; D345-S439 PolarHBondContact OD2-N 3.06Å; D345-S439 PolarHBondContact OD2-OG 3.05Å
440I54Low64.3Low147 Ų147109.3 Ų109.375%0.75459%0.59SS**THydrogen-bonded Turntrans-81.1-22.7-177.6-59.7170.8000112.1D438D438-I440 PolarHBondContact O-N 2.83Å
441E49.3Very low61.8Low146 Ų146119.1 Ų119.168%0.68263%0.626SS**THydrogen-bonded Turntrans-82.7-17.4178.4-72-174.3159.500112.9V437 D438V437-E441 HydrophobicContact CG1-CB 4.18Å; D438-E441 PolarHBondContact O-N 2.88Å
442G45.1Very low60.1Low67 Ų67123 Ų12369%0.69165%0.646SS**THydrogen-bonded Turntrans-84.1-15.9-178.300000116.2
443E40.9Very low58.3Low181 Ų181129.3 Ų129.385%0.84668%0.68SS**THydrogen-bonded Turntrans-96.55179.7-67.9-171.816500113.2
444G41.6Very low56.4Low64 Ų64128.9 Ų128.966%0.6668%0.682SS**SBendtrans-94.7-5.8-168.800000117.8
445E40.7Very low54.3Low190 Ų190130.1 Ų130.189%0.88869%0.693SS**SBendtrans-122.93-169.8-69.1-164.2160.700116.8
446E40.5Very low52Low195 Ų195137.1 Ų137.191%0.91173%0.729SS**SBendtrans-107.92179.3-79-163.916400116.8
447E41.3Very low49.8Very low201 Ų201144.7 Ų144.794%0.93976%0.761SS**SBendtrans-111.482172.2-72.9-164.2164.700111.7
448G45.4Very low47.2Very low70 Ų70149.5 Ų149.572%0.72278%0.782SS**  trans-16615.4-177.600000119.5
449E44Very low45.2Very low196 Ų196156 Ų15692%0.91682%0.816SS**  trans-138.777.6168.1-74.5-162.2169.100112.8
450E39.4Very low43.7Very low179 Ų179162.9 Ų162.984%0.83684%0.841SS**  trans-142.6105.7146.3-91.1-164.2163.300108.5
451Y42Very low42.7Very low319 Ų319164.4 Ų164.4100%1.25185%0.849SS**  trans-1580142.5-82.1-58.8000111.6

Retrieved 451 of 451 residues in 287.1 ms (Link to these results)

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