A0A077ZKQ0_TRITR Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077ZKQ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 284 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
1M62.7Low83.6Confident235 Ų235147 Ų147100%1.15868%0.678SS**  098.70-174.4179.6-90.700106R3M1-R3 PolarHBondContact O-N 3.41Å
2E79.1Confident83.8Confident197 Ų197144.3 Ų144.392%0.92168%0.684SS**PPolyproline II helixtrans-63.8119.2175.9-76.4176.4154.200108
3R81.7Confident83.5Confident174 Ų174149.3 Ų149.366%0.65769%0.692SS**PPolyproline II helixtrans-71140.2172.4-76.1-179.1-177.5-174.20.6108.2M1 D7 F8M1-R3 PolarHBondContact O-N 3.41Å; R3-D7 HydrophobicContact CB-CB 4.47Å; R3-F8 HydrophobicContact CB-CD2 4.17Å; R3-F8 HydrophobicContact CB-CE2 3.37Å; R3-F8 HydrophobicContact CB-CZ 3.6Å; R3-F8 HydrophobicContact CG-CE2 4.49Å; R3-F8 HydrophobicContact CG-CZ 4.28Å
4H85.7Confident83.4Confident127 Ų127150 Ų15059%0.58870%0.701SS**PPolyproline II helixtrans-65.9144.7176.4-170.5-97.2000108.9Y6 D7H4-Y6 WeakPolarHBondContact ND1-CB 3.04Å; H4-Y6 PolarHBondContact ND1-N 3.39Å; H4-Y6 PolarHBondContact O-N 3.07Å; H4-D7 PolarHBondContact N-OD2 3.03Å; H4-D7 WeakPolarHBondContact O-CB 3.22Å; H4-D7 PolarHBondContact O-N 3.37Å
5I89.1Confident83Confident132 Ų132150.1 Ų150.168%0.67771%0.707SS**Hα-helixtrans-53.2-35.6-177.9-166.9163.5000112D7 F8 V9I5-D7 VanDerWaalsContact C-N 3.28Å; I5-D7 PolarHBondContact O-N 2.8Å; I5-F8 PolarHBondContact O-N 3.04Å; I5-F8 VanDerWaalsContact O-N 3.15Å; I5-V9 WeakPolarHBondContact O-CG2 2.86Å; I5-V9 PolarHBondContact O-N 2.56Å
6Y83.9Confident82.4Confident120 Ų120147.2 Ų147.247%0.47171%0.705SS.*Hα-helixtrans-54.5-39.5174.4-177.2-102.7000113.3H4 F8 V9 R10H4-Y6 WeakPolarHBondContact ND1-CB 3.04Å; H4-Y6 PolarHBondContact ND1-N 3.39Å; H4-Y6 PolarHBondContact O-N 3.07Å; Y6-F8 PolarHBondContact O-N 3.33Å; Y6-V9 PolarHBondContact O-N 3.08Å; Y6-R10 HydrophobicContact CD1-CB 4.48Å; Y6-R10 HydrophobicContact CE1-CB 4.18Å; Y6-R10 HydrophobicContact CE1-CG 4.1Å; Y6-R10 VanDerWaalsContact O-CB 3.29Å; Y6-R10 WeakPolarHBondContact O-CB 3.26Å; Y6-R10 PolarHBondContact O-N 2.54Å
7D87.1Confident82.2Confident94 Ų94142.4 Ų142.450%0.50369%0.69SS.*Hα-helixtrans-67.5-26.1-177.2-62.1-32.2000112.2R3 H4 I5R3-D7 HydrophobicContact CB-CB 4.47Å; H4-D7 PolarHBondContact N-OD2 3.03Å; H4-D7 WeakPolarHBondContact O-CB 3.22Å; H4-D7 PolarHBondContact O-N 3.37Å; I5-D7 VanDerWaalsContact C-N 3.28Å; I5-D7 PolarHBondContact O-N 2.8Å
8F87.2Confident81.7Confident138 Ų138145.9 Ų145.961%0.60571%0.705SS**Hα-helixtrans-80.7-31.3176.6-67.5-77.5000113R3 I5 Y6R3-F8 HydrophobicContact CB-CD2 4.17Å; R3-F8 HydrophobicContact CB-CE2 3.37Å; R3-F8 HydrophobicContact CB-CZ 3.6Å; R3-F8 HydrophobicContact CG-CE2 4.49Å; R3-F8 HydrophobicContact CG-CZ 4.28Å; I5-F8 PolarHBondContact O-N 3.04Å; I5-F8 VanDerWaalsContact O-N 3.15Å; Y6-F8 PolarHBondContact O-N 3.33Å
9V87.5Confident81.5Confident101 Ų101144.6 Ų144.661%0.61271%0.708SS**Hα-helixtrans-102.5-6.8-175.7-65.60000113.8I5 Y6 Q11I5-V9 WeakPolarHBondContact O-CG2 2.86Å; I5-V9 PolarHBondContact O-N 2.56Å; Y6-V9 PolarHBondContact O-N 3.08Å; V9-Q11 PolarHBondContact O-N 3.32Å; V9-Q11 VanDerWaalsContact O-N 3.1Å
10R88Confident81.3Confident139 Ų139141.5 Ų141.553%0.52569%0.694SS.*  trans-64.6114.4179.7-175.7-178.5-172.7-93.13110.4Y6Y6-R10 HydrophobicContact CD1-CB 4.48Å; Y6-R10 HydrophobicContact CE1-CB 4.18Å; Y6-R10 HydrophobicContact CE1-CG 4.1Å; Y6-R10 VanDerWaalsContact O-CB 3.29Å; Y6-R10 WeakPolarHBondContact O-CB 3.26Å; Y6-R10 PolarHBondContact O-N 2.54Å
11Q87.6Confident81Confident160 Ų160144 Ų14475%0.74871%0.705SS**PPolyproline II helixtrans-83.9154172.3-65.7179.4-8.800111.1V9 R13V9-Q11 PolarHBondContact O-N 3.32Å; V9-Q11 VanDerWaalsContact O-N 3.1Å; Q11-R13 PolarHBondContact O-N 3.41Å
12P85.5Confident81.6Confident115 Ų115139.2 Ų139.275%0.74769%0.688SS**PPolyproline II helixtrans-53.5138.7169-23.734000110.5I14P12-I14 PolarHBondContact O-N 3.29Å
13R80.6Confident81.5Confident209 Ų209135.9 Ų135.979%0.78968%0.681SS**PPolyproline II helixtrans-68.1123.4171.3-67.4-134.2-178-175.81.9108Q11 L15Q11-R13 PolarHBondContact O-N 3.41Å; R13-L15 PolarHBondContact O-N 2.87Å
14I81.9Confident81.2Confident159 Ų159132.9 Ų132.982%0.81568%0.681SS**PPolyproline II helixtrans-69.7127.9172.9-55.3170.4000106.5P12P12-I14 PolarHBondContact O-N 3.29Å
15L76.9Confident80.6Confident151 Ų151131.5 Ų131.579%0.79168%0.678SS**PPolyproline II helixtrans-64.7141.4175.8-74.3167.8000108.8R13 S17R13-L15 PolarHBondContact O-N 2.87Å; L15-S17 PolarHBondContact O-N 3.34Å
16P73.7Confident80Confident104 Ų104131.9 Ų131.968%0.67568%0.675SS**PPolyproline II helixtrans-57.5132.8179.2-21.631.4000111.3D20P16-D20 WeakPolarHBondContact CA-OD2 3.46Å; P16-D20 HydrophobicContact CB-CB 4.21Å
17S78.5Confident79.4Confident65 Ų65128.1 Ų128.146%0.45566%0.664SS.*PPolyproline II helixtrans-71.8158.5166.3-1790000109.9L15 T19 D20L15-S17 PolarHBondContact O-N 3.34Å; S17-T19 PolarHBondContact O-N 3.29Å; S17-T19 PolarHBondContact OG-OG1 2.91Å; S17-T19 VanDerWaalsContact OG-OG1 3.07Å; S17-D20 VanDerWaalsContact N-CG 3.34Å; S17-D20 PolarHBondContact N-OD2 3.08Å; S17-D20 WeakPolarHBondContact O-CB 3.08Å; S17-D20 PolarHBondContact O-N 2.88Å
18E74.4Confident78.7Confident206 Ų206133.9 Ų133.996%0.96368%0.679SS**THydrogen-bonded Turntrans-57.4-21.7173.4-69.2-179.5176.100112.8
19T77.3Confident78.2Confident122 Ų122131.5 Ų131.575%0.74868%0.676SS**THydrogen-bonded Turntrans-88.5-4.8178.653.30000114.5S17S17-T19 PolarHBondContact O-N 3.29Å; S17-T19 PolarHBondContact OG-OG1 2.91Å; S17-T19 VanDerWaalsContact OG-OG1 3.07Å
20D77.1Confident78Confident82 Ų82129 Ų12944%0.43966%0.659SS.*SBendtrans-74.9145.7-173.1-71.9-7.5000112.1P16 S17 V22P16-D20 WeakPolarHBondContact CA-OD2 3.46Å; P16-D20 HydrophobicContact CB-CB 4.21Å; S17-D20 VanDerWaalsContact N-CG 3.34Å; S17-D20 PolarHBondContact N-OD2 3.08Å; S17-D20 WeakPolarHBondContact O-CB 3.08Å; S17-D20 PolarHBondContact O-N 2.88Å; D20-V22 PolarHBondContact O-N 3.23Å; D20-V22 VanDerWaalsContact O-N 3.15Å
21E76.2Confident77.8Confident195 Ų195130.3 Ų130.391%0.91166%0.664SS**PPolyproline II helixtrans-62.9116.5178.2-65.7-174.5171.300110.8
22V75.6Confident77.5Confident133 Ų133125.8 Ų125.881%0.80665%0.654SS**PPolyproline II helixtrans-87.5124.7173.2-84.10000110.4D20D20-V22 PolarHBondContact O-N 3.23Å; D20-V22 VanDerWaalsContact O-N 3.15Å
23V75.6Confident77.8Confident127 Ų127125.2 Ų125.277%0.7764%0.641SS**  trans-84.2115.2170.8-179.10000108.7I25V23-I25 HydrophobicContact CG1-CG1 4.24Å; V23-I25 PolarHBondContact O-N 3.03Å
24V76.8Confident78.4Confident111 Ų111116 Ų11667%0.67361%0.608SS**  trans-78.6115.3173.1-177.30000108.9
25I73.1Confident78.9Confident99 Ų99109.8 Ų109.851%0.50858%0.577SS.*  trans-100.9118.9176.5-55.6177.3000108.5V23 P27 T29 L30V23-I25 HydrophobicContact CG1-CG1 4.24Å; V23-I25 PolarHBondContact O-N 3.03Å; I25-P27 WeakPolarHBondContact O-CD 3.42Å; I25-T29 WeakPolarHBondContact CG2-OG1 3.45Å; I25-L30 HydrophobicContact CG2-CD1 4.1Å; I25-L30 HydrophobicContact CG2-CD2 4.24Å; I25-L30 HydrophobicContact CG2-CG 3.98Å
26F76.2Confident79.8Confident140 Ų140102.6 Ų102.661%0.61454%0.54SS*.  trans-74.9125.8173.9-64.2-78.5000109.6R28 T29F26-R28 PolarHBondContact O-N 3.22Å; F26-T29 HydrophobicContact CB-CG2 4.28Å; F26-T29 WeakPolarHBondContact O-CB 3.43Å; F26-T29 PolarHBondContact O-N 3.07Å; F26-T29 PolarHBondContact O-OG1 3.1Å
27P70.8Confident80.8Confident40 Ų40100.3 Ų100.326%0.2653%0.525SS..G310 helixtrans-53.9-27.1-175.4-32.137.3000115.9I25 T29 L30 I98 C102I25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-T29 PolarHBondContact O-N 2.85Å; P27-L30 PolarHBondContact O-N 3.39Å; P27-L30 VanDerWaalsContact O-N 3.12Å; P27-I98 HydrophobicContact CB-CG2 3.82Å; P27-I98 HydrophobicContact CG-CG2 4.35Å; P27-C102 WeakPolarHBondContact CB-SG 3.45Å; P27-C102 WeakPolarHBondContact CG-SG 3.32Å
28R71.5Confident81.5Confident215 Ų21598 Ų9881%0.81151%0.507SS*.G310 helixtrans-61.2-28.3175-64-177.7-176.81781.7112.8F26 L30 R31F26-R28 PolarHBondContact O-N 3.22Å; R28-L30 VanDerWaalsContact C-N 3.27Å; R28-L30 PolarHBondContact O-N 3.42Å; R28-R31 VanDerWaalsContact O-CB 3.3Å; R28-R31 WeakPolarHBondContact O-CB 3.14Å; R28-R31 PolarHBondContact O-N 3.04Å
29T77.3Confident82.4Confident88 Ų8888.5 Ų88.554%0.5446%0.463SS..G310 helixtrans-69.1-28.917765.10000111.7I25 F26 P27 R31I25-T29 WeakPolarHBondContact CG2-OG1 3.45Å; F26-T29 HydrophobicContact CB-CG2 4.28Å; F26-T29 WeakPolarHBondContact O-CB 3.43Å; F26-T29 PolarHBondContact O-N 3.07Å; F26-T29 PolarHBondContact O-OG1 3.1Å; P27-T29 PolarHBondContact O-N 2.85Å; T29-R31 VanDerWaalsContact C-N 3.28Å; T29-R31 PolarHBondContact O-N 2.7Å
30L83.7Confident83Confident49 Ų4986.5 Ų86.526%0.25745%0.448SS..G310 helixtrans-861.4179.2-59.9179.2000113.2I25 P27 R28 A32 E33 L34 I98I25-L30 HydrophobicContact CG2-CD1 4.1Å; I25-L30 HydrophobicContact CG2-CD2 4.24Å; I25-L30 HydrophobicContact CG2-CG 3.98Å; P27-L30 PolarHBondContact O-N 3.39Å; P27-L30 VanDerWaalsContact O-N 3.12Å; R28-L30 VanDerWaalsContact C-N 3.27Å; R28-L30 PolarHBondContact O-N 3.42Å; L30-A32 PolarHBondContact O-N 2.96Å; L30-E33 VanDerWaalsContact CA-OE2 3.24Å; L30-E33 WeakPolarHBondContact CA-OE2 3.36Å; L30-E33 PolarHBondContact O-N 2.78Å; L30-E33 VanDerWaalsContact O-N 3.1Å; L30-L34 HydrophobicContact CB-CD1 4.41Å; L30-L34 HydrophobicContact CB-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 2.76Å; L30-I98 HydrophobicContact CD1-CD1 3.75Å; L30-I98 HydrophobicContact CD1-CG1 4.45Å; L30-I98 HydrophobicContact CD1-CG2 4.4Å
31R83Confident83.7Confident166 Ų16685.5 Ų85.563%0.62644%0.443SS*.THydrogen-bonded Turntrans-57.7-37.8-173.1-173.5175.5-176.6164.72.9111.7R28 T29 E33 L34 T35R28-R31 VanDerWaalsContact O-CB 3.3Å; R28-R31 WeakPolarHBondContact O-CB 3.14Å; R28-R31 PolarHBondContact O-N 3.04Å; T29-R31 VanDerWaalsContact C-N 3.28Å; T29-R31 PolarHBondContact O-N 2.7Å; R31-E33 VanDerWaalsContact C-N 3.35Å; R31-L34 PolarHBondContact O-N 2.83Å; R31-T35 WeakPolarHBondContact O-CB 3.41Å; R31-T35 PolarHBondContact O-N 3.49Å; R31-T35 PolarHBondContact O-OG1 2.86Å
32A83.1Confident84.5Confident65 Ų6580.5 Ų80.554%0.53742%0.421SS..THydrogen-bonded Turntrans-66.3-38.7-179.500000111.9L30L30-A32 PolarHBondContact O-N 2.96Å
33E90.1Very high85.5Confident103 Ų10374.4 Ų74.448%0.48138%0.384SS..THydrogen-bonded Turntrans-71.2-36.5-179.6-66.366.1-147.700111.5L30 R31 Y91L30-E33 VanDerWaalsContact CA-OE2 3.24Å; L30-E33 WeakPolarHBondContact CA-OE2 3.36Å; L30-E33 PolarHBondContact O-N 2.78Å; L30-E33 VanDerWaalsContact O-N 3.1Å; R31-E33 VanDerWaalsContact C-N 3.35Å; E33-Y91 PolarHBondContact O-OH 3.17Å
34L93.1Very high86.4Confident16 Ų1675.5 Ų75.58%0.08438%0.378CS..THydrogen-bonded Turntrans-87.7-1.5-178.9-52.7-173.3000113.7L30 R31 I42 L43 Y91 I95 I98L30-L34 HydrophobicContact CB-CD1 4.41Å; L30-L34 HydrophobicContact CB-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 2.76Å; R31-L34 PolarHBondContact O-N 2.83Å; L34-I42 WeakPolarHBondContact O-CA 3.24Å; L34-L43 PolarHBondContact O-N 3.21Å; L34-Y91 HydrophobicContact CD2-CE1 4.17Å; L34-I95 HydrophobicContact CB-CG1 4.45Å; L34-I95 HydrophobicContact CD2-CG1 3.84Å; L34-I95 HydrophobicContact CG-CG1 4.47Å; L34-I98 HydrophobicContact CD1-CB 4.13Å; L34-I98 HydrophobicContact CD1-CD1 3.98Å; L34-I98 HydrophobicContact CD1-CG2 3.82Å; L34-I98 HydrophobicContact CD2-CD1 4.31Å
35T93Very high87.4Confident29 Ų2975.4 Ų75.418%0.17837%0.37CS..BIsolated β-bridgetrans-96.5133.8-176.3-68.30000111.5R31 L40 D41R31-T35 WeakPolarHBondContact O-CB 3.41Å; R31-T35 PolarHBondContact O-N 3.49Å; R31-T35 PolarHBondContact O-OG1 2.86Å; T35-L40 VanDerWaalsContact CG2-C 3.47Å; T35-L40 VanDerWaalsContact CG2-CA 3.48Å; T35-L40 HydrophobicContact CG2-CB 4.18Å; T35-D41 WeakPolarHBondContact CA-O 2.99Å
36C96.2Very high88.7Confident0 Ų070.7 Ų70.70%035%0.346CS..  trans-69.3125.9172.9-177.10000110.1I38 C39 L40 D41 L43 C57C36-I38 PolarHBondContact O-N 3.18Å; C36-C39 VanDerWaalsContact CB-SG 3.54Å; C36-L40 WeakPolarHBondContact O-CA 3.18Å; C36-L40 PolarHBondContact O-N 3.15Å; C36-D41 PolarHBondContact N-O 3.31Å; C36-L43 HydrophobicContact CB-CD2 3.65Å; C36-L43 HydrophobicContact CB-CG 4.22Å; C36-C57 VanDerWaalsContact CB-SG 3.59Å; C36-C57 PolarHBondContact SG-N 3.05Å
37P94.2Very high89.7Confident56 Ų5664.4 Ų64.436%0.36432%0.32SS..THydrogen-bonded Turntrans-69.1-8-178.830.2-38.5000113.7R55 F56P37-R55 VanDerWaalsContact CD-O 3.28Å; P37-R55 WeakPolarHBondContact CD-O 3.49Å; P37-F56 HydrophobicContact CG-CD1 3.5Å; P37-F56 VanDerWaalsContact CG-CD1 3.5Å; P37-F56 HydrophobicContact CG-CE1 3.33Å; P37-F56 HydrophobicContact CG-CZ 4.4Å
38I94.2Very high91Very high15 Ų1566.2 Ų66.28%0.07732%0.321CS..THydrogen-bonded Turntrans-92.4-68.6176.5-51.9168.3000109.2C36 L40 F56 C60 I61 A64 P73 R190 V193 T197C36-I38 PolarHBondContact O-N 3.18Å; I38-L40 VanDerWaalsContact C-N 3.32Å; I38-L40 PolarHBondContact O-N 3.3Å; I38-F56 HydrophobicContact CD1-CB 4.29Å; I38-F56 HydrophobicContact CD1-CD1 3.61Å; I38-F56 HydrophobicContact CD1-CE1 4.33Å; I38-F56 HydrophobicContact CD1-CG 4.19Å; I38-F56 HydrophobicContact CG1-CD1 3.82Å; I38-F56 HydrophobicContact CG1-CE1 4.32Å; I38-C60 HydrophobicContact CB-CB 4.04Å; I38-C60 HydrophobicContact CD1-CB 3.81Å; I38-C60 HydrophobicContact CG2-CB 4.19Å; I38-I61 HydrophobicContact CD1-CB 4.12Å; I38-I61 HydrophobicContact CD1-CD1 4.18Å; I38-A64 HydrophobicContact CD1-CB 4.43Å; I38-P73 HydrophobicContact CD1-CG 3.98Å; I38-P73 HydrophobicContact CG1-CB 4.14Å; I38-P73 HydrophobicContact CG1-CG 4.03Å; I38-R190 PolarHBondContact O-NH1 3.2Å; I38-V193 HydrophobicContact CG2-CG1 4.18Å; I38-V193 WeakPolarHBondContact O-CG1 3.11Å; I38-T197 HydrophobicContact CG2-CG2 3.64Å
39C93.3Very high92.3Very high7 Ų756 Ų565%0.04728%0.283CS..THydrogen-bonded Turntrans-79.1-12.2-176.764.70000114.2C36 D41 R190 T197C36-C39 VanDerWaalsContact CB-SG 3.54Å; C39-D41 PolarHBondContact O-N 2.91Å; C39-R190 PolarHBondContact O-NH1 3.46Å; C39-R190 PolarHBondContact O-NH2 2.86Å; C39-T197 HydrophobicContact CB-CG2 4.41Å
40L90.2Very high93.3Very high80 Ų8057.4 Ų57.442%0.41928%0.281SS..  trans52.126.5-172.6-43.1173.9000114.6T35 C36 I38 R190T35-L40 VanDerWaalsContact CG2-C 3.47Å; T35-L40 VanDerWaalsContact CG2-CA 3.48Å; T35-L40 HydrophobicContact CG2-CB 4.18Å; C36-L40 WeakPolarHBondContact O-CA 3.18Å; C36-L40 PolarHBondContact O-N 3.15Å; I38-L40 VanDerWaalsContact C-N 3.32Å; I38-L40 PolarHBondContact O-N 3.3Å; L40-R190 VanDerWaalsContact CG-NH1 3.31Å
41D90.7Very high93.8Very high62 Ų6261.8 Ų61.833%0.33230%0.3SS..SBendtrans-105.7170.8166.5-54.3-40.2000109T35 C36 C39 L43 K198T35-D41 WeakPolarHBondContact CA-O 2.99Å; C36-D41 PolarHBondContact N-O 3.31Å; C39-D41 PolarHBondContact O-N 2.91Å; D41-L43 PolarHBondContact O-N 3.3Å; D41-K198 IonicContact OD1-NZ 3.58Å; D41-K198 PolarHBondContact OD1-NZ 3.1Å; D41-K198 WeakPolarHBondContact OD2-CE 3.05Å; D41-K198 IonicContact OD2-NZ 3.5Å; D41-K198 PolarHBondContact OD2-NZ 3.19Å
42I92.6Very high94.5Very high89 Ų8955.4 Ų55.446%0.45628%0.281SS..BIsolated β-bridgetrans-56.4137.3174.6-62.4167.6000109.5L34 I95L34-I42 WeakPolarHBondContact O-CA 3.24Å; I42-I95 HydrophobicContact CG2-CG2 3.59Å
43L96.7Very high95.2Very high5 Ų556.3 Ų56.33%0.02628%0.276CS..  trans-56.3137.5178-75.8162.5000111.3L34 C36 D41 T46 R55 F56 Y91 I95L34-L43 PolarHBondContact O-N 3.21Å; C36-L43 HydrophobicContact CB-CD2 3.65Å; C36-L43 HydrophobicContact CB-CG 4.22Å; D41-L43 PolarHBondContact O-N 3.3Å; L43-T46 HydrophobicContact CD1-CG2 4.44Å; L43-R55 HydrophobicContact CD1-CB 4.04Å; L43-R55 HydrophobicContact CD2-CB 4.45Å; L43-F56 VanDerWaalsContact CD2-CA 3.49Å; L43-Y91 HydrophobicContact CD1-CD1 4.15Å; L43-Y91 HydrophobicContact CD1-CE1 3.63Å; L43-I95 HydrophobicContact CB-CD1 3.64Å; L43-I95 HydrophobicContact CD1-CD1 4.49Å
44K95.8Very high95.6Very high151 Ų15154.4 Ų54.466%0.65727%0.267SS*.  trans-138.4137178.5-64.2-179.5-177.4-177.20109.8T46 C57K44-T46 VanDerWaalsContact C-N 3.31Å; K44-T46 PolarHBondContact O-N 2.91Å; K44-C57 PolarHBondContact N-SG 2.86Å; K44-C57 VanDerWaalsContact N-SG 3.36Å; K44-C57 VanDerWaalsContact O-CA 3.24Å; K44-C57 WeakPolarHBondContact O-CA 3.23Å; K44-C57 WeakPolarHBondContact O-CB 3.46Å
45E98Very high95.8Very high108 Ų10857.3 Ų57.351%0.50528%0.277SS..SBendtrans46.160.7-170.8-67.3-176.2-140.500109.6V47 K58E45-V47 PolarHBondContact O-N 2.92Å; E45-K58 HydrophobicContact CB-CB 3.99Å; E45-K58 HydrophobicContact CB-CD 4.26Å; E45-K58 VanDerWaalsContact O-CB 3.23Å; E45-K58 WeakPolarHBondContact O-CB 3.45Å; E45-K58 PolarHBondContact O-N 2.77Å; E45-K58 WeakPolarHBondContact OE2-CD 3.18Å; E45-K58 IonicContact OE2-NZ 3.25Å; E45-K58 PolarHBondContact OE2-NZ 2.83Å
46T98.6Very high96.1Very high1 Ų155.9 Ų55.91%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-61.7131.8-167.9-60.10000110.4L43 K44 R55 D88 Y91 D92L43-T46 HydrophobicContact CD1-CG2 4.44Å; K44-T46 VanDerWaalsContact C-N 3.31Å; K44-T46 PolarHBondContact O-N 2.91Å; T46-R55 HydrophobicContact CG2-CB 3.94Å; T46-R55 HydrophobicContact CG2-CG 4.07Å; T46-D88 HydrophobicContact CG2-CB 4.24Å; T46-D88 PolarHBondContact O-N 3.38Å; T46-Y91 HydrophobicContact CG2-CD1 3.93Å; T46-Y91 HydrophobicContact CG2-CG 4.37Å; T46-D92 WeakPolarHBondContact CB-OD1 3.23Å; T46-D92 PolarHBondContact N-OD1 3.01Å; T46-D92 PolarHBondContact N-OD2 3.49Å; T46-D92 PolarHBondContact OG1-OD1 3.45Å
47V98.7Very high96.2Very high8 Ų856.4 Ų56.45%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-122.1145.8168.6-62.30000109.8E45 R55 F56 K58 I61 L85 V86E45-V47 PolarHBondContact O-N 2.92Å; V47-R55 WeakPolarHBondContact O-CA 3.29Å; V47-F56 WeakPolarHBondContact CG2-O 3.1Å; V47-F56 PolarHBondContact N-O 2.86Å; V47-F56 PolarHBondContact O-N 3.37Å; V47-K58 HydrophobicContact CG1-CB 3.81Å; V47-K58 HydrophobicContact CG1-CG 4.1Å; V47-I61 HydrophobicContact CG2-CG2 3.41Å; V47-I61 VanDerWaalsContact CG2-CG2 3.41Å; V47-L85 HydrophobicContact CB-CB 4.48Å; V47-L85 HydrophobicContact CG2-CD1 4.41Å; V47-V86 CarbonylContact C-O 3.47Å; V47-V86 VanDerWaalsContact CA-O 3.3Å; V47-V86 WeakPolarHBondContact CA-O 3.22Å
48R98.4Very high96.4Very high78 Ų7859 Ų5929%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-116.7145.7177.765-165.4-69.6-110.77.4111.6H54 R55 L85 V86 D88R48-H54 WeakPolarHBondContact CA-O 3.4Å; R48-R55 HydrophobicContact CB-CG 4.19Å; R48-L85 WeakPolarHBondContact O-CA 3.29Å; R48-V86 HydrophobicContact CG-CB 4.32Å; R48-V86 PolarHBondContact N-O 3.03Å; R48-V86 PolarHBondContact O-N 3.37Å; R48-D88 WeakPolarHBondContact CD-OD2 3.2Å; R48-D88 HydrophobicContact CG-CB 4.34Å; R48-D88 IonicContact NE-OD2 3.98Å
49S98.1Very high96.4Very high0 Ų064.2 Ų64.20%030%0.301CS..EExtended strand (participates in β ladder)trans-68.2138168.2171.70000110.9E51 C52 L53 H54 L79S49-E51 VanDerWaalsContact C-N 3.33Å; S49-E51 PolarHBondContact OG-N 3.27Å; S49-E51 VanDerWaalsContact OG-N 3.17Å; S49-C52 VanDerWaalsContact CB-SG 3.52Å; S49-C52 PolarHBondContact OG-N 3.27Å; S49-C52 PolarHBondContact OG-SG 3.06Å; S49-L53 VanDerWaalsContact O-CA 3.25Å; S49-L53 WeakPolarHBondContact O-CA 3.34Å; S49-L53 VanDerWaalsContact O-CD2 3.31Å; S49-L53 WeakPolarHBondContact O-CD2 3.26Å; S49-L53 PolarHBondContact O-N 2.83Å; S49-L53 VanDerWaalsContact O-N 3.09Å; S49-H54 PolarHBondContact N-O 3.03Å; S49-L79 WeakPolarHBondContact OG-CD2 3.28Å
50K97.3Very high96.6Very high118 Ų11864.2 Ų64.251%0.51330%0.301SS..THydrogen-bonded Turntrans-66.7-34.8170.7-69177.7179.7171.50112.8R83 S84 V86K50-R83 WeakPolarHBondContact CE-O 3.46Å; K50-R83 PolarHBondContact NZ-O 3.12Å; K50-S84 WeakPolarHBondContact CG-O 3.48Å; K50-S84 PolarHBondContact N-O 2.79Å; K50-V86 HydrophobicContact CD-CG2 4.05Å; K50-V86 HydrophobicContact CG-CG2 3.6Å
51E95.1Very high96.9Very high141 Ų14160.5 Ų60.566%0.65928%0.282SS*.THydrogen-bonded Turntrans-80.5-42.9-172.4-61.4-60.7138.300112.6S49S49-E51 VanDerWaalsContact C-N 3.33Å; S49-E51 PolarHBondContact OG-N 3.27Å; S49-E51 VanDerWaalsContact OG-N 3.17Å
52C97.7Very high97.1Very high31 Ų3157.7 Ų57.721%0.20927%0.268CS..THydrogen-bonded Turntrans-127.50.6-169.262.50000114.4S49 H54 C72 A77S49-C52 VanDerWaalsContact CB-SG 3.52Å; S49-C52 PolarHBondContact OG-N 3.27Å; S49-C52 PolarHBondContact OG-SG 3.06Å; C52-H54 PolarHBondContact O-N 3.43Å; C52-H54 PolarHBondContact SG-ND1 3.06Å; C52-C72 VanDerWaalsContact SG-SG 3.65Å; C52-A77 HydrophobicContact CB-CB 4.15Å
53L97.4Very high97.1Very high84 Ų8454.4 Ų54.444%0.4425%0.25SC..  trans58.75.6175.7-47.1-173.2000116.7S49S49-L53 VanDerWaalsContact O-CA 3.25Å; S49-L53 WeakPolarHBondContact O-CA 3.34Å; S49-L53 VanDerWaalsContact O-CD2 3.31Å; S49-L53 WeakPolarHBondContact O-CD2 3.26Å; S49-L53 PolarHBondContact O-N 2.83Å; S49-L53 VanDerWaalsContact O-N 3.09Å
54H98.4Very high96.8Very high63 Ų6355.1 Ų55.129%0.29226%0.256SS..  trans-61144.2170.2-67112.2000111.3R48 S49 C52 F56 T74 C75R48-H54 WeakPolarHBondContact CA-O 3.4Å; S49-H54 PolarHBondContact N-O 3.03Å; C52-H54 PolarHBondContact O-N 3.43Å; C52-H54 PolarHBondContact SG-ND1 3.06Å; H54-F56 HydrophobicContact CB-CE2 3.88Å; H54-F56 HydrophobicContact CB-CZ 3.78Å; H54-T74 VanDerWaalsContact CD2-CG2 3.47Å; H54-T74 WeakPolarHBondContact CD2-CG2 3.33Å; H54-T74 WeakPolarHBondContact NE2-CG2 3.26Å; H54-C75 VanDerWaalsContact CE1-CB 3.49Å; H54-C75 WeakPolarHBondContact CE1-CB 3.36Å; H54-C75 PolarHBondContact CE1-SG 2.8Å; H54-C75 PolarHBondContact ND1-SG 2.85Å
55R98.4Very high96.6Very high77 Ų7748.8 Ų48.829%0.29123%0.229SC..EExtended strand (participates in β ladder)trans-111143.7-172.1-67.5-175.8175.391.9-3112P37 L43 T46 V47 R48 D88 Y91P37-R55 VanDerWaalsContact CD-O 3.28Å; P37-R55 WeakPolarHBondContact CD-O 3.49Å; L43-R55 HydrophobicContact CD1-CB 4.04Å; L43-R55 HydrophobicContact CD2-CB 4.45Å; T46-R55 HydrophobicContact CG2-CB 3.94Å; T46-R55 HydrophobicContact CG2-CG 4.07Å; V47-R55 WeakPolarHBondContact O-CA 3.29Å; R48-R55 HydrophobicContact CB-CG 4.19Å; R55-D88 IonicContact CZ-OD2 3.45Å; R55-D88 IonicContact NE-OD2 2.88Å; R55-D88 PolarHBondContact NE-OD2 2.88Å; R55-D88 IonicContact NH2-OD2 3.09Å; R55-D88 PolarHBondContact NH2-OD2 3.38Å; R55-D88 VanDerWaalsContact NH2-OD2 3.09Å; R55-Y91 VanDerWaalsContact CZ-CD2 3.46Å
56F98.4Very high96.2Very high0 Ų050.7 Ų50.70%023%0.232CC..EExtended strand (participates in β ladder)trans-146.2159-179.9-48.7-84.1000110.1P37 I38 L43 V47 H54 K58 I61 P73P37-F56 HydrophobicContact CG-CD1 3.5Å; P37-F56 VanDerWaalsContact CG-CD1 3.5Å; P37-F56 HydrophobicContact CG-CE1 3.33Å; P37-F56 HydrophobicContact CG-CZ 4.4Å; I38-F56 HydrophobicContact CD1-CB 4.29Å; I38-F56 HydrophobicContact CD1-CD1 3.61Å; I38-F56 HydrophobicContact CD1-CE1 4.33Å; I38-F56 HydrophobicContact CD1-CG 4.19Å; I38-F56 HydrophobicContact CG1-CD1 3.82Å; I38-F56 HydrophobicContact CG1-CE1 4.32Å; L43-F56 VanDerWaalsContact CD2-CA 3.49Å; V47-F56 WeakPolarHBondContact CG2-O 3.1Å; V47-F56 PolarHBondContact N-O 2.86Å; V47-F56 PolarHBondContact O-N 3.37Å; H54-F56 HydrophobicContact CB-CE2 3.88Å; H54-F56 HydrophobicContact CB-CZ 3.78Å; F56-K58 PolarHBondContact O-N 3.4Å; F56-I61 HydrophobicContact CB-CB 3.69Å; F56-I61 HydrophobicContact CB-CG1 4.49Å; F56-I61 HydrophobicContact CB-CG2 3.95Å; F56-I61 HydrophobicContact CD1-CD1 4.46Å; F56-I61 HydrophobicContact CD2-CB 4.16Å; F56-I61 HydrophobicContact CD2-CD1 4.12Å; F56-I61 HydrophobicContact CD2-CG1 4.04Å; F56-I61 HydrophobicContact CE2-CD1 4.29Å; F56-I61 HydrophobicContact CG-CB 3.93Å; F56-I61 HydrophobicContact CG-CD1 4.23Å; F56-I61 HydrophobicContact CG-CG1 4.23Å; F56-P73 HydrophobicContact CE1-CB 4Å; F56-P73 HydrophobicContact CE1-CG 3.94Å; F56-P73 HydrophobicContact CZ-CG 4.38Å
57C98.3Very high95.5Very high10 Ų1054.3 Ų54.37%0.06825%0.254CS..EExtended strand (participates in β ladder)trans-64.6135.9162.5-51.30000108.7C36 K44 E59 C60 I61C36-C57 VanDerWaalsContact CB-SG 3.59Å; C36-C57 PolarHBondContact SG-N 3.05Å; K44-C57 PolarHBondContact N-SG 2.86Å; K44-C57 VanDerWaalsContact N-SG 3.36Å; K44-C57 VanDerWaalsContact O-CA 3.24Å; K44-C57 WeakPolarHBondContact O-CA 3.23Å; K44-C57 WeakPolarHBondContact O-CB 3.46Å; C57-E59 VanDerWaalsContact C-N 3.26Å; C57-E59 PolarHBondContact O-N 2.84Å; C57-C60 HydrophobicContact CB-CB 3.98Å; C57-C60 PolarHBondContact O-N 2.84Å; C57-I61 PolarHBondContact O-N 2.83Å; C57-I61 VanDerWaalsContact O-N 3.1Å
58K97.8Very high94.7Very high112 Ų11256.1 Ų56.149%0.48728%0.275SS..Hα-helixtrans-48.8-45.4179.1178.5-177.6167.1-164.30113.4E45 V47 F56 G62E45-K58 HydrophobicContact CB-CB 3.99Å; E45-K58 HydrophobicContact CB-CD 4.26Å; E45-K58 VanDerWaalsContact O-CB 3.23Å; E45-K58 WeakPolarHBondContact O-CB 3.45Å; E45-K58 PolarHBondContact O-N 2.77Å; E45-K58 WeakPolarHBondContact OE2-CD 3.18Å; E45-K58 IonicContact OE2-NZ 3.25Å; E45-K58 PolarHBondContact OE2-NZ 2.83Å; V47-K58 HydrophobicContact CG1-CB 3.81Å; V47-K58 HydrophobicContact CG1-CG 4.1Å; F56-K58 PolarHBondContact O-N 3.4Å; K58-G62 WeakPolarHBondContact O-CA 3.13Å; K58-G62 PolarHBondContact O-N 2.96Å
59E95.5Very high94.1Very high124 Ų12458.1 Ų58.158%0.57929%0.291SS*.Hα-helixtrans-68.5-40.3178.3-64.5-166.6162.800113.2C57 G62 R63C57-E59 VanDerWaalsContact C-N 3.26Å; C57-E59 PolarHBondContact O-N 2.84Å; E59-G62 PolarHBondContact O-N 3.14Å; E59-R63 WeakPolarHBondContact O-CB 3.38Å; E59-R63 PolarHBondContact O-N 3.41Å; E59-R63 IonicContact OE2-NH2 2.7Å; E59-R63 PolarHBondContact OE2-NH2 3.11Å
60C96.4Very high93.9Very high7 Ų765 Ų655%0.04732%0.317CS..Hα-helixtrans-64.2-52.4-176.5-72.70000110.8I38 C57 G62 R63 A64 T197I38-C60 HydrophobicContact CB-CB 4.04Å; I38-C60 HydrophobicContact CD1-CB 3.81Å; I38-C60 HydrophobicContact CG2-CB 4.19Å; C57-C60 HydrophobicContact CB-CB 3.98Å; C57-C60 PolarHBondContact O-N 2.84Å; C60-G62 VanDerWaalsContact C-N 3.29Å; C60-G62 PolarHBondContact O-N 2.86Å; C60-R63 PolarHBondContact O-N 2.91Å; C60-A64 PolarHBondContact O-N 3.42Å; C60-T197 HydrophobicContact CB-CG2 4.34Å
61I96.3Very high93.9Very high1 Ų164.4 Ų64.41%0.00532%0.316CS..Hα-helixtrans-69.3-32.7177-169.263.5000111.3I38 V47 F56 C57 R63 A64 L65 P73 L79 L85I38-I61 HydrophobicContact CD1-CB 4.12Å; I38-I61 HydrophobicContact CD1-CD1 4.18Å; V47-I61 HydrophobicContact CG2-CG2 3.41Å; V47-I61 VanDerWaalsContact CG2-CG2 3.41Å; F56-I61 HydrophobicContact CB-CB 3.69Å; F56-I61 HydrophobicContact CB-CG1 4.49Å; F56-I61 HydrophobicContact CB-CG2 3.95Å; F56-I61 HydrophobicContact CD1-CD1 4.46Å; F56-I61 HydrophobicContact CD2-CB 4.16Å; F56-I61 HydrophobicContact CD2-CD1 4.12Å; F56-I61 HydrophobicContact CD2-CG1 4.04Å; F56-I61 HydrophobicContact CE2-CD1 4.29Å; F56-I61 HydrophobicContact CG-CB 3.93Å; F56-I61 HydrophobicContact CG-CD1 4.23Å; F56-I61 HydrophobicContact CG-CG1 4.23Å; C57-I61 PolarHBondContact O-N 2.83Å; C57-I61 VanDerWaalsContact O-N 3.1Å; I61-R63 VanDerWaalsContact C-N 3.31Å; I61-R63 PolarHBondContact O-N 2.92Å; I61-A64 HydrophobicContact CD1-CB 4.5Å; I61-A64 PolarHBondContact O-N 3.1Å; I61-L65 HydrophobicContact CD1-CG 4.4Å; I61-L65 HydrophobicContact CG1-CD1 4.26Å; I61-L65 HydrophobicContact CG1-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CB 3.24Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.19Å; I61-L65 PolarHBondContact O-N 2.82Å; I61-P73 HydrophobicContact CD1-CG 3.8Å; I61-L79 HydrophobicContact CD1-CD1 4.11Å; I61-L85 HydrophobicContact CB-CD1 4.39Å; I61-L85 HydrophobicContact CG1-CD1 3.87Å; I61-L85 HydrophobicContact CG1-CD2 4.24Å; I61-L85 HydrophobicContact CG2-CD1 3.57Å
62G94.7Very high94Very high4 Ų457.8 Ų57.84%0.04129%0.285CS..Hα-helixtrans-60.3-39.9174.100000112.8K58 E59 C60 R66K58-G62 WeakPolarHBondContact O-CA 3.13Å; K58-G62 PolarHBondContact O-N 2.96Å; E59-G62 PolarHBondContact O-N 3.14Å; C60-G62 VanDerWaalsContact C-N 3.29Å; C60-G62 PolarHBondContact O-N 2.86Å; G62-R66 WeakPolarHBondContact O-CG 3.1Å
63R92.5Very high93.8Very high20 Ų2059.4 Ų59.48%0.07530%0.295CS..Hα-helixtrans-70.8-47.6174.2-84.5-175.8-75.1-172.6-15112.1E59 C60 I61 L65 R66 T67 L196 T197 S204E59-R63 WeakPolarHBondContact O-CB 3.38Å; E59-R63 PolarHBondContact O-N 3.41Å; E59-R63 IonicContact OE2-NH2 2.7Å; E59-R63 PolarHBondContact OE2-NH2 3.11Å; C60-R63 PolarHBondContact O-N 2.91Å; I61-R63 VanDerWaalsContact C-N 3.31Å; I61-R63 PolarHBondContact O-N 2.92Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 3.45Å; R63-R66 WeakPolarHBondContact O-CB 3.48Å; R63-R66 PolarHBondContact O-N 3.07Å; R63-T67 PolarHBondContact O-N 2.88Å; R63-T67 PolarHBondContact O-OG1 2.89Å; R63-L196 HydrophobicContact CB-CD1 4.25Å; R63-L196 HydrophobicContact CB-CG 4.45Å; R63-L196 WeakPolarHBondContact CD-O 3.42Å; R63-L196 VanDerWaalsContact CZ-O 3.3Å; R63-L196 PolarHBondContact NE-O 3.11Å; R63-L196 PolarHBondContact NH1-O 2.69Å; R63-T197 VanDerWaalsContact CZ-C 3.41Å; R63-T197 VanDerWaalsContact CZ-CA 3.44Å; R63-T197 VanDerWaalsContact NH1-CA 3.33Å; R63-T197 PolarHBondContact NH1-O 3.32Å; R63-T197 VanDerWaalsContact NH1-O 3.13Å; R63-T197 PolarHBondContact NH2-O 3.14Å; R63-S204 PolarHBondContact NH1-OG 3.13Å
64A90.8Very high93.7Very high19 Ų1958.6 Ų58.616%0.15729%0.294CS..Hα-helixtrans-55.9-43.9178.200000112.7I38 C60 I61 R66 T67I38-A64 HydrophobicContact CD1-CB 4.43Å; C60-A64 PolarHBondContact O-N 3.42Å; I61-A64 HydrophobicContact CD1-CB 4.5Å; I61-A64 PolarHBondContact O-N 3.1Å; A64-R66 VanDerWaalsContact C-N 3.27Å; A64-R66 PolarHBondContact O-N 3.39Å; A64-T67 PolarHBondContact O-N 2.94Å
65L92.7Very high93.6Very high19 Ų1958.3 Ų58.310%0.09930%0.298CS..Hα-helixtrans-68.1-23.1177.8-67.9177000113.5I61 R63 L79 L85I61-L65 HydrophobicContact CD1-CG 4.4Å; I61-L65 HydrophobicContact CG1-CD1 4.26Å; I61-L65 HydrophobicContact CG1-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CB 3.24Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.19Å; I61-L65 PolarHBondContact O-N 2.82Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 3.45Å; L65-L79 HydrophobicContact CD2-CB 3.84Å; L65-L79 HydrophobicContact CD2-CD1 4.44Å; L65-L85 HydrophobicContact CD1-CD1 3.92Å
66R89Confident93.5Very high147 Ų14764.1 Ų64.156%0.55532%0.32SS*.Hα-helixtrans-75.5-27175.5-75.9-169.3-60.8-114.113.8112.8G62 R63 A64 G68G62-R66 WeakPolarHBondContact O-CG 3.1Å; R63-R66 WeakPolarHBondContact O-CB 3.48Å; R63-R66 PolarHBondContact O-N 3.07Å; A64-R66 VanDerWaalsContact C-N 3.27Å; A64-R66 PolarHBondContact O-N 3.39Å; R66-G68 PolarHBondContact O-N 3.29Å; R66-G68 VanDerWaalsContact O-N 3.15Å
67T83Confident93.4Very high78 Ų7865.5 Ų65.548%0.47933%0.332SS..THydrogen-bonded Turntrans-66.8-9.9176-47.80000112.6R63 A64R63-T67 PolarHBondContact O-N 2.88Å; R63-T67 PolarHBondContact O-OG1 2.89Å; A64-T67 PolarHBondContact O-N 2.94Å
68G83Confident93.3Very high46 Ų4672.4 Ų72.447%0.47436%0.36SS..THydrogen-bonded Turntrans103.4-17.1175.200000114.1R66 R70R66-G68 PolarHBondContact O-N 3.29Å; R66-G68 VanDerWaalsContact O-N 3.15Å; G68-R70 PolarHBondContact O-N 2.8Å; G68-R70 VanDerWaalsContact O-N 3.11Å
69N86.1Confident93.3Very high119 Ų11967 Ų6764%0.63634%0.337SS*.  trans-74100.6173.1-71.9-18.3000110.3E71N69-E71 PolarHBondContact O-N 3.14Å
70R93.8Very high93.2Very high146 Ų14663.9 Ų63.955%0.55133%0.327SS*.  trans-90.747.2-177.7-64.2180-168.5-108.11.1112.2G68 L79 P80G68-R70 PolarHBondContact O-N 2.8Å; G68-R70 VanDerWaalsContact O-N 3.11Å; R70-L79 WeakPolarHBondContact CB-O 3.09Å; R70-L79 CarbonylContact O-C 3.55Å; R70-L79 PolarHBondContact O-N 2.91Å; R70-P80 PolarHBondContact NH1-O 3.27Å
71E95.8Very high93Very high105 Ų10565.1 Ų65.149%0.49134%0.336SS..BIsolated β-bridgetrans-132.2153.5-177.3-68.3-176.4179.900110.7N69 P73 A77N69-E71 PolarHBondContact O-N 3.14Å; E71-P73 WeakPolarHBondContact O-CD 3.34Å; E71-A77 CarbonylContact C-O 3.48Å; E71-A77 WeakPolarHBondContact CA-O 3.22Å
72C97.1Very high92.9Very high2 Ų270.7 Ų70.71%0.01436%0.36CS..  trans-65.8122.7173.7177.60000110.1C52 T74 C75 R76 A77 L79C52-C72 VanDerWaalsContact SG-SG 3.65Å; C72-T74 PolarHBondContact O-N 3.28Å; C72-C75 PolarHBondContact O-N 2.87Å; C72-R76 VanDerWaalsContact O-CA 3.24Å; C72-R76 WeakPolarHBondContact O-CA 3.26Å; C72-R76 PolarHBondContact O-N 2.84Å; C72-A77 HydrophobicContact CB-CB 4.21Å; C72-A77 WeakPolarHBondContact CB-O 3.48Å; C72-A77 PolarHBondContact N-O 2.91Å; C72-L79 HydrophobicContact CB-CD1 4.02Å; C72-L79 HydrophobicContact CB-CG 4.25Å
73P94.3Very high92.9Very high64 Ų6480.3 Ų80.342%0.41640%0.395SS..THydrogen-bonded Turntrans-58.6-22.2177.9-2836.3000114.6I38 F56 I61 E71I38-P73 HydrophobicContact CD1-CG 3.98Å; I38-P73 HydrophobicContact CG1-CB 4.14Å; I38-P73 HydrophobicContact CG1-CG 4.03Å; F56-P73 HydrophobicContact CE1-CB 4Å; F56-P73 HydrophobicContact CE1-CG 3.94Å; F56-P73 HydrophobicContact CZ-CG 4.38Å; I61-P73 HydrophobicContact CD1-CG 3.8Å; E71-P73 WeakPolarHBondContact O-CD 3.34Å
74T94.9Very high93.1Very high68 Ų6880.2 Ų80.242%0.41740%0.398SS..THydrogen-bonded Turntrans-88.9-46.7-179-46.40000113H54 C72H54-T74 VanDerWaalsContact CD2-CG2 3.47Å; H54-T74 WeakPolarHBondContact CD2-CG2 3.33Å; H54-T74 WeakPolarHBondContact NE2-CG2 3.26Å; C72-T74 PolarHBondContact O-N 3.28Å
75C97.1Very high93.4Very high57 Ų5780.5 Ų80.539%0.38540%0.396SS..THydrogen-bonded Turntrans-127.84.9-170.569.80000115H54 C72 A77H54-C75 VanDerWaalsContact CE1-CB 3.49Å; H54-C75 WeakPolarHBondContact CE1-CB 3.36Å; H54-C75 PolarHBondContact CE1-SG 2.8Å; H54-C75 PolarHBondContact ND1-SG 2.85Å; C72-C75 PolarHBondContact O-N 2.87Å; C75-A77 PolarHBondContact O-N 3.46Å; C75-A77 VanDerWaalsContact SG-CB 3.56Å
76R95.8Very high93.7Very high198 Ų19882.1 Ų82.175%0.74741%0.407SS*.  trans61.17.8-178.7-52.4-177.9-171.71741.9116.1C72 K78C72-R76 VanDerWaalsContact O-CA 3.24Å; C72-R76 WeakPolarHBondContact O-CA 3.26Å; C72-R76 PolarHBondContact O-N 2.84Å; R76-K78 PolarHBondContact O-N 3.35Å
77A96.9Very high94.2Very high29 Ų2979.7 Ų79.724%0.2441%0.41CS..  trans-54.8141.5170.800000111C52 E71 C72 C75 L79C52-A77 HydrophobicContact CB-CB 4.15Å; E71-A77 CarbonylContact C-O 3.48Å; E71-A77 WeakPolarHBondContact CA-O 3.22Å; C72-A77 HydrophobicContact CB-CB 4.21Å; C72-A77 WeakPolarHBondContact CB-O 3.48Å; C72-A77 PolarHBondContact N-O 2.91Å; C75-A77 PolarHBondContact O-N 3.46Å; C75-A77 VanDerWaalsContact SG-CB 3.56Å; A77-L79 PolarHBondContact O-N 3.12Å
78K96.3Very high94.9Very high155 Ų15576.9 Ų76.967%0.67439%0.392SS*.BIsolated β-bridgetrans-63.2128.3-175.5-164.8176.3-176.9172.90111.1R76 P80R76-K78 PolarHBondContact O-N 3.35Å; K78-P80 HydrophobicContact CD-CG 4.33Å; K78-P80 HydrophobicContact CG-CG 4.06Å; K78-P80 WeakPolarHBondContact O-CD 3.31Å
79L96.4Very high95.6Very high0 Ų078.7 Ų78.70%040%0.396CS..  trans-121.378.9173.4-64.2-177.1000109.3S49 I61 L65 R70 C72 A77 S81 L85S49-L79 WeakPolarHBondContact OG-CD2 3.28Å; I61-L79 HydrophobicContact CD1-CD1 4.11Å; L65-L79 HydrophobicContact CD2-CB 3.84Å; L65-L79 HydrophobicContact CD2-CD1 4.44Å; R70-L79 WeakPolarHBondContact CB-O 3.09Å; R70-L79 CarbonylContact O-C 3.55Å; R70-L79 PolarHBondContact O-N 2.91Å; C72-L79 HydrophobicContact CB-CD1 4.02Å; C72-L79 HydrophobicContact CB-CG 4.25Å; A77-L79 PolarHBondContact O-N 3.12Å; L79-S81 VanDerWaalsContact C-N 3.25Å; L79-S81 PolarHBondContact O-N 2.83Å; L79-S81 VanDerWaalsContact O-N 3.14Å; L79-L85 HydrophobicContact CD1-CD2 4.4Å
80P93.6Very high96.2Very high57 Ų5777.5 Ų77.537%0.3739%0.393SS..  trans-57.6-33.3-171.2-25.832.5000114.7R70 K78 S84R70-P80 PolarHBondContact NH1-O 3.27Å; K78-P80 HydrophobicContact CD-CG 4.33Å; K78-P80 HydrophobicContact CG-CG 4.06Å; K78-P80 WeakPolarHBondContact O-CD 3.31Å; P80-S84 WeakPolarHBondContact CD-OG 3.42Å
81S93.6Very high96.3Very high33 Ų3372 Ų7223%0.23137%0.372CS..SBendtrans-159.8173.9179.170.10000111.4L79 R83 S84L79-S81 VanDerWaalsContact C-N 3.25Å; L79-S81 PolarHBondContact O-N 2.83Å; L79-S81 VanDerWaalsContact O-N 3.14Å; S81-R83 PolarHBondContact O-N 3.34Å; S81-R83 WeakPolarHBondContact OG-CB 3.35Å; S81-R83 PolarHBondContact OG-N 2.91Å; S81-S84 WeakPolarHBondContact O-CB 3.4Å; S81-S84 PolarHBondContact O-N 3.02Å; S81-S84 PolarHBondContact O-OG 2.99Å
82K93.3Very high96.4Very high118 Ų11868.7 Ų68.751%0.51336%0.358SS..G310 helixtrans-55.7-22.3172.1-68.5-173.7176-173.90113.8S84 L85K82-S84 PolarHBondContact O-N 3.31Å; K82-L85 WeakPolarHBondContact O-CB 3.38Å; K82-L85 PolarHBondContact O-N 3.45Å; K82-L85 VanDerWaalsContact O-N 3.07Å
83R95.4Very high96.3Very high207 Ų20771.8 Ų71.878%0.78138%0.38SS*.G310 helixtrans-68-15.2176.3-61.6-177.3-69.9-179.7-2.4113.7K50 S81K50-R83 WeakPolarHBondContact CE-O 3.46Å; K50-R83 PolarHBondContact NZ-O 3.12Å; S81-R83 PolarHBondContact O-N 3.34Å; S81-R83 WeakPolarHBondContact OG-CB 3.35Å; S81-R83 PolarHBondContact OG-N 2.91Å
84S95.8Very high96.2Very high18 Ų1872.3 Ų72.313%0.12638%0.378CS..G310 helixtrans-81.4-3173-56.40000112.8K50 P80 S81 K82K50-S84 WeakPolarHBondContact CG-O 3.48Å; K50-S84 PolarHBondContact N-O 2.79Å; P80-S84 WeakPolarHBondContact CD-OG 3.42Å; S81-S84 WeakPolarHBondContact O-CB 3.4Å; S81-S84 PolarHBondContact O-N 3.02Å; S81-S84 PolarHBondContact O-OG 2.99Å; K82-S84 PolarHBondContact O-N 3.31Å
85L98.2Very high96.1Very high24 Ų2469.3 Ų69.313%0.12636%0.36CS..EExtended strand (participates in β ladder)trans-107.8146.7178.2-55.1173000110V47 R48 I61 L65 L79 K82V47-L85 HydrophobicContact CB-CB 4.48Å; V47-L85 HydrophobicContact CG2-CD1 4.41Å; R48-L85 WeakPolarHBondContact O-CA 3.29Å; I61-L85 HydrophobicContact CB-CD1 4.39Å; I61-L85 HydrophobicContact CG1-CD1 3.87Å; I61-L85 HydrophobicContact CG1-CD2 4.24Å; I61-L85 HydrophobicContact CG2-CD1 3.57Å; L65-L85 HydrophobicContact CD1-CD1 3.92Å; L79-L85 HydrophobicContact CD1-CD2 4.4Å; K82-L85 WeakPolarHBondContact O-CB 3.38Å; K82-L85 PolarHBondContact O-N 3.45Å; K82-L85 VanDerWaalsContact O-N 3.07Å
86V98.6Very high95.7Very high54 Ų5470.6 Ų70.633%0.32736%0.362SS..EExtended strand (participates in β ladder)trans-129133.1177-173.10000108.5V47 R48 K50V47-V86 CarbonylContact C-O 3.47Å; V47-V86 VanDerWaalsContact CA-O 3.3Å; V47-V86 WeakPolarHBondContact CA-O 3.22Å; R48-V86 HydrophobicContact CG-CB 4.32Å; R48-V86 PolarHBondContact N-O 3.03Å; R48-V86 PolarHBondContact O-N 3.37Å; K50-V86 HydrophobicContact CD-CG2 4.05Å; K50-V86 HydrophobicContact CG-CG2 3.6Å
87P98.7Very high95.4Very high95 Ų9566.3 Ų66.362%0.61735%0.353SS*.EExtended strand (participates in β ladder)trans-55.8142.2168.5-2434.8000112P89P87-P89 VanDerWaalsContact C-CD 3.49Å; P87-P89 WeakPolarHBondContact O-CD 3.49Å
88D98.4Very high94.8Very high20 Ų2066.4 Ų66.411%0.10735%0.349CS..  trans-125.968.7179.6-166.2-3.8000110.3T46 R48 R55 T90 Y91 D92T46-D88 HydrophobicContact CG2-CB 4.24Å; T46-D88 PolarHBondContact O-N 3.38Å; R48-D88 WeakPolarHBondContact CD-OD2 3.2Å; R48-D88 HydrophobicContact CG-CB 4.34Å; R48-D88 IonicContact NE-OD2 3.98Å; R55-D88 IonicContact CZ-OD2 3.45Å; R55-D88 IonicContact NE-OD2 2.88Å; R55-D88 PolarHBondContact NE-OD2 2.88Å; R55-D88 IonicContact NH2-OD2 3.09Å; R55-D88 PolarHBondContact NH2-OD2 3.38Å; R55-D88 VanDerWaalsContact NH2-OD2 3.09Å; D88-T90 PolarHBondContact O-N 3.4Å; D88-Y91 WeakPolarHBondContact O-CB 3.48Å; D88-Y91 PolarHBondContact O-N 3.13Å; D88-Y91 PolarHBondContact OD1-N 2.9Å; D88-D92 PolarHBondContact O-N 2.64Å
89P98Very high94Very high83 Ų8360.4 Ų60.454%0.53933%0.327SS..Hα-helixtrans-66-23.4-17627.9-35.9000113P87 Y91 D92 S93P87-P89 VanDerWaalsContact C-CD 3.49Å; P87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-Y91 VanDerWaalsContact C-N 3.27Å; P89-Y91 PolarHBondContact O-N 3.13Å; P89-D92 PolarHBondContact O-N 2.95Å; P89-S93 PolarHBondContact O-N 3.03Å; P89-S93 PolarHBondContact O-OG 3.4Å
90T97.6Very high93.1Very high94 Ų9465.6 Ų65.658%0.57735%0.351SS*.Hα-helixtrans-62.3-39.3171.5-52.50000110.4D88 S93 I94D88-T90 PolarHBondContact O-N 3.4Å; T90-S93 WeakPolarHBondContact O-CB 3.23Å; T90-S93 PolarHBondContact O-N 3.21Å; T90-I94 HydrophobicContact CG2-CD1 4.38Å; T90-I94 WeakPolarHBondContact O-CG1 3.41Å; T90-I94 PolarHBondContact O-N 3.34Å
91Y97.1Very high91.6Very high31 Ų3166 Ų6612%0.12236%0.356CS..Hα-helixtrans-69.4-39.8177.1-153.4-97.5000112.4E33 L34 L43 T46 R55 D88 P89 S93 I94 I95E33-Y91 PolarHBondContact O-OH 3.17Å; L34-Y91 HydrophobicContact CD2-CE1 4.17Å; L43-Y91 HydrophobicContact CD1-CD1 4.15Å; L43-Y91 HydrophobicContact CD1-CE1 3.63Å; T46-Y91 HydrophobicContact CG2-CD1 3.93Å; T46-Y91 HydrophobicContact CG2-CG 4.37Å; R55-Y91 VanDerWaalsContact CZ-CD2 3.46Å; D88-Y91 WeakPolarHBondContact O-CB 3.48Å; D88-Y91 PolarHBondContact O-N 3.13Å; D88-Y91 PolarHBondContact OD1-N 2.9Å; P89-Y91 VanDerWaalsContact C-N 3.27Å; P89-Y91 PolarHBondContact O-N 3.13Å; Y91-S93 VanDerWaalsContact C-N 3.27Å; Y91-S93 PolarHBondContact O-N 3.06Å; Y91-I94 PolarHBondContact O-N 3.02Å; Y91-I95 HydrophobicContact CD1-CD1 3.59Å; Y91-I95 HydrophobicContact CD1-CG1 4.14Å; Y91-I95 HydrophobicContact CE1-CD1 3.88Å; Y91-I95 HydrophobicContact CE1-CG1 4.2Å; Y91-I95 WeakPolarHBondContact O-CG1 3.29Å; Y91-I95 PolarHBondContact O-N 3.12Å
92D96.8Very high90Very high36 Ų3666.4 Ų66.419%0.19336%0.358CS..Hα-helixtrans-59.4-40172-67.7-37.8000111.3T46 D88 P89 I94 I95 N96T46-D92 WeakPolarHBondContact CB-OD1 3.23Å; T46-D92 PolarHBondContact N-OD1 3.01Å; T46-D92 PolarHBondContact N-OD2 3.49Å; T46-D92 PolarHBondContact OG1-OD1 3.45Å; D88-D92 PolarHBondContact O-N 2.64Å; P89-D92 PolarHBondContact O-N 2.95Å; D92-I94 PolarHBondContact O-N 3.38Å; D92-I95 PolarHBondContact O-N 2.89Å; D92-N96 VanDerWaalsContact O-CG 3.3Å; D92-N96 PolarHBondContact O-N 3.31Å
93S95.7Very high88.1Confident67 Ų6767.1 Ų67.147%0.46936%0.363SS..Hα-helixtrans-63.4-41.5176.2-54.30000112.1P89 T90 Y91 N96 I97P89-S93 PolarHBondContact O-N 3.03Å; P89-S93 PolarHBondContact O-OG 3.4Å; T90-S93 WeakPolarHBondContact O-CB 3.23Å; T90-S93 PolarHBondContact O-N 3.21Å; Y91-S93 VanDerWaalsContact C-N 3.27Å; Y91-S93 PolarHBondContact O-N 3.06Å; S93-N96 PolarHBondContact O-N 2.86Å; S93-I97 WeakPolarHBondContact O-CG1 3.31Å; S93-I97 PolarHBondContact O-N 3.25Å
94I92.2Very high85.8Confident74 Ų7465 Ų6538%0.37936%0.362SS..Hα-helixtrans-63.7-43.3175.5-68.7164.5000110.9T90 Y91 D92 N96 I97 I98T90-I94 HydrophobicContact CG2-CD1 4.38Å; T90-I94 WeakPolarHBondContact O-CG1 3.41Å; T90-I94 PolarHBondContact O-N 3.34Å; Y91-I94 PolarHBondContact O-N 3.02Å; D92-I94 PolarHBondContact O-N 3.38Å; I94-N96 VanDerWaalsContact C-N 3.32Å; I94-N96 PolarHBondContact O-N 2.88Å; I94-I97 PolarHBondContact O-N 2.98Å; I94-I98 HydrophobicContact CG2-CD1 3.64Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.2Å; I94-I98 VanDerWaalsContact O-N 3.14Å
95I92.3Very high83.3Confident6 Ų667.5 Ų67.53%0.03138%0.38CS..Hα-helixtrans-58.4-46.4176.7-71.2160000110.5L34 I42 L43 Y91 D92 I97 I98 S99L34-I95 HydrophobicContact CB-CG1 4.45Å; L34-I95 HydrophobicContact CD2-CG1 3.84Å; L34-I95 HydrophobicContact CG-CG1 4.47Å; I42-I95 HydrophobicContact CG2-CG2 3.59Å; L43-I95 HydrophobicContact CB-CD1 3.64Å; L43-I95 HydrophobicContact CD1-CD1 4.49Å; Y91-I95 HydrophobicContact CD1-CD1 3.59Å; Y91-I95 HydrophobicContact CD1-CG1 4.14Å; Y91-I95 HydrophobicContact CE1-CD1 3.88Å; Y91-I95 HydrophobicContact CE1-CG1 4.2Å; Y91-I95 WeakPolarHBondContact O-CG1 3.29Å; Y91-I95 PolarHBondContact O-N 3.12Å; D92-I95 PolarHBondContact O-N 2.89Å; I95-I97 PolarHBondContact O-N 2.89Å; I95-I98 PolarHBondContact O-N 2.97Å; I95-S99 VanDerWaalsContact O-CB 3.27Å; I95-S99 WeakPolarHBondContact O-CB 3.32Å; I95-S99 PolarHBondContact O-N 3.25Å; I95-S99 PolarHBondContact O-OG 3.4Å
96N90.3Very high80.3Confident83 Ų8369 Ų6944%0.44440%0.396SS..Hα-helixtrans-58.8-50.1-179.2-69.9-15.5000111.2D92 S93 I94 I98 S99 E100D92-N96 VanDerWaalsContact O-CG 3.3Å; D92-N96 PolarHBondContact O-N 3.31Å; S93-N96 PolarHBondContact O-N 2.86Å; I94-N96 VanDerWaalsContact C-N 3.32Å; I94-N96 PolarHBondContact O-N 2.88Å; N96-I98 VanDerWaalsContact C-N 3.31Å; N96-I98 PolarHBondContact O-N 2.99Å; N96-S99 PolarHBondContact O-N 3.1Å; N96-S99 VanDerWaalsContact O-N 3.15Å; N96-S99 PolarHBondContact O-OG 2.75Å; N96-E100 WeakPolarHBondContact O-CB 3.39Å; N96-E100 VanDerWaalsContact O-CG 3.29Å; N96-E100 WeakPolarHBondContact O-CG 3.2Å; N96-E100 PolarHBondContact O-N 3.45Å
97I87.6Confident77.3Confident109 Ų10970.4 Ų70.456%0.55941%0.413SS*.Hα-helixtrans-55.4-46178-65.8164.7000111.6S93 I94 I95 S101S93-I97 WeakPolarHBondContact O-CG1 3.31Å; S93-I97 PolarHBondContact O-N 3.25Å; I94-I97 PolarHBondContact O-N 2.98Å; I95-I97 PolarHBondContact O-N 2.89Å; I97-S101 PolarHBondContact O-N 3.42Å; I97-S101 PolarHBondContact O-OG 3.47Å
98I85.2Confident74.3Confident30 Ų3073.8 Ų73.815%0.15442%0.421CS..Hα-helixtrans-69.9-39.3-178.4-64.3164.9000110.8P27 L30 L34 I94 I95 N96 C102P27-I98 HydrophobicContact CB-CG2 3.82Å; P27-I98 HydrophobicContact CG-CG2 4.35Å; L30-I98 HydrophobicContact CD1-CD1 3.75Å; L30-I98 HydrophobicContact CD1-CG1 4.45Å; L30-I98 HydrophobicContact CD1-CG2 4.4Å; L34-I98 HydrophobicContact CD1-CB 4.13Å; L34-I98 HydrophobicContact CD1-CD1 3.98Å; L34-I98 HydrophobicContact CD1-CG2 3.82Å; L34-I98 HydrophobicContact CD2-CD1 4.31Å; I94-I98 HydrophobicContact CG2-CD1 3.64Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.2Å; I94-I98 VanDerWaalsContact O-N 3.14Å; I95-I98 PolarHBondContact O-N 2.97Å; N96-I98 VanDerWaalsContact C-N 3.31Å; N96-I98 PolarHBondContact O-N 2.99Å; I98-C102 PolarHBondContact O-N 3.22Å; I98-C102 PolarHBondContact O-SG 2.93Å
99S80.3Confident71.4Confident30 Ų3079 Ų7921%0.2145%0.447CS..Hα-helixtrans-73.7-37.4-177.7730000113.2I95 N96 S101 C102 Q103I95-S99 VanDerWaalsContact O-CB 3.27Å; I95-S99 WeakPolarHBondContact O-CB 3.32Å; I95-S99 PolarHBondContact O-N 3.25Å; I95-S99 PolarHBondContact O-OG 3.4Å; N96-S99 PolarHBondContact O-N 3.1Å; N96-S99 VanDerWaalsContact O-N 3.15Å; N96-S99 PolarHBondContact O-OG 2.75Å; S99-S101 VanDerWaalsContact C-N 3.34Å; S99-C102 WeakPolarHBondContact O-CB 3.27Å; S99-C102 PolarHBondContact O-N 2.98Å; S99-C102 VanDerWaalsContact O-N 3.15Å; S99-Q103 PolarHBondContact O-N 3.19Å
100E75.8Confident68.1Low108 Ų10882.4 Ų82.451%0.50546%0.461SS..Hα-helixtrans-64.4-40.3175.3-73.2169.5-165.400111N96 C102 Q103 Q104N96-E100 WeakPolarHBondContact O-CB 3.39Å; N96-E100 VanDerWaalsContact O-CG 3.29Å; N96-E100 WeakPolarHBondContact O-CG 3.2Å; N96-E100 PolarHBondContact O-N 3.45Å; E100-C102 PolarHBondContact O-N 3.38Å; E100-Q103 PolarHBondContact O-N 3.24Å; E100-Q103 VanDerWaalsContact O-N 3.14Å; E100-Q104 PolarHBondContact O-N 3.48Å
101S63.3Low64.7Low66 Ų6680.9 Ų80.946%0.46246%0.458SS..Hα-helixtrans-60.9-27.7174.4-56.80000112.8I97 S99 S105I97-S101 PolarHBondContact O-N 3.42Å; I97-S101 PolarHBondContact O-OG 3.47Å; S99-S101 VanDerWaalsContact C-N 3.34Å; S101-S105 PolarHBondContact O-OG 3.43Å
102C60Low61.3Low42 Ų4285.8 Ų85.828%0.28449%0.494SS..Hα-helixtrans-78-38.5174.6-58.30000113P27 I98 S99 E100 Q104 S105 A106P27-C102 WeakPolarHBondContact CB-SG 3.45Å; P27-C102 WeakPolarHBondContact CG-SG 3.32Å; I98-C102 PolarHBondContact O-N 3.22Å; I98-C102 PolarHBondContact O-SG 2.93Å; S99-C102 WeakPolarHBondContact O-CB 3.27Å; S99-C102 PolarHBondContact O-N 2.98Å; S99-C102 VanDerWaalsContact O-N 3.15Å; E100-C102 PolarHBondContact O-N 3.38Å; C102-Q104 VanDerWaalsContact C-N 3.26Å; C102-Q104 PolarHBondContact O-N 2.86Å; C102-S105 PolarHBondContact O-N 3.48Å; C102-S105 VanDerWaalsContact O-N 3.09Å; C102-S105 PolarHBondContact O-OG 2.76Å; C102-A106 PolarHBondContact O-N 3.32Å
103Q53.3Low57.9Low132 Ų13292.6 Ų92.662%0.61752%0.524SS*.Hα-helixtrans-67.5-32.7-175.3-71.1176.424.900111.1S99 E100 S105 A107S99-Q103 PolarHBondContact O-N 3.19Å; E100-Q103 PolarHBondContact O-N 3.24Å; E100-Q103 VanDerWaalsContact O-N 3.14Å; Q103-S105 PolarHBondContact O-N 3.35Å; Q103-A107 PolarHBondContact O-N 3.02Å
104Q46.9Very low54.4Low163 Ų16392.8 Ų92.876%0.76254%0.537SS*.Hα-helixtrans-64.7-23173.1-68.9172.62.800113.3E100 C102E100-Q104 PolarHBondContact O-N 3.48Å; C102-Q104 VanDerWaalsContact C-N 3.26Å; C102-Q104 PolarHBondContact O-N 2.86Å
105S43Very low51.1Low71 Ų7199 Ų9950%0.49757%0.565SS.*Hα-helixtrans-99-31.3176.644.80000113.7S101 C102 Q103 Q108S101-S105 PolarHBondContact O-OG 3.43Å; C102-S105 PolarHBondContact O-N 3.48Å; C102-S105 VanDerWaalsContact O-N 3.09Å; C102-S105 PolarHBondContact O-OG 2.76Å; Q103-S105 PolarHBondContact O-N 3.35Å; S105-Q108 PolarHBondContact O-N 3.46Å
106A35.7Very low47.9Very low55 Ų55103.7 Ų103.746%0.45560%0.598SS.*Hα-helixtrans-70.9-30.5177.900000112.9C102 Q108 L109C102-A106 PolarHBondContact O-N 3.32Å; A106-Q108 PolarHBondContact O-N 3.42Å; A106-L109 PolarHBondContact O-N 3.05Å
107A34.5Very low44.8Very low84 Ų84107.5 Ų107.569%0.69462%0.618SS**THydrogen-bonded Turntrans-61.1-11175.100000113.8Q103Q103-A107 PolarHBondContact O-N 3.02Å
108Q36.4Very low41.7Very low166 Ų166107.1 Ų107.178%0.77663%0.631SS**THydrogen-bonded Turntrans-98.3-3175.7-164.3165.7-20.500113.9S105 A106S105-Q108 PolarHBondContact O-N 3.46Å; A106-Q108 PolarHBondContact O-N 3.42Å
109L37.5Very low39.1Very low128 Ų128111.2 Ų111.267%0.6766%0.662SS**  trans-114.28.6-173.9-65.4175.5000115.5A106 A111A106-L109 PolarHBondContact O-N 3.05Å; L109-A111 PolarHBondContact O-N 3.33Å
110D28.2Very low36.5Very low156 Ų156117.5 Ų117.583%0.83469%0.688SS**  trans-83.830.3170-72.6-38.5000113
111A26.1Very low34.2Very low62 Ų62118.6 Ų118.651%0.51271%0.705SS.*SBendtrans-101.2123.3166.100000109.2L109 E113L109-A111 PolarHBondContact O-N 3.33Å; A111-E113 PolarHBondContact O-N 2.96Å
112P26.3Very low32.2Very low134 Ų134121.8 Ų121.887%0.8772%0.722SS**  trans-78.593.7-176.531.2-32000110.3
113E25.5Very low30.5Very low178 Ų178125 Ų12583%0.83274%0.744SS**  trans-120120.1170.4-59.7-172.9159.300106.6A111A111-E113 PolarHBondContact O-N 2.96Å
114G23Very low29.2Very low71 Ų71124.2 Ų124.273%0.73275%0.753SS**  100.5115.968.200000107.2S116G114-S116 PolarHBondContact O-N 3.33Å
115E21.9Very low28.3Very low206 Ų206121.6 Ų121.696%0.96375%0.753SS**  trans-50.2123.9-172.5-65157.9145.500113.8
116S25.4Very low27.5Very low103 Ų103130.2 Ų130.272%0.7277%0.774SS**  trans-154.3106.4158.763.90000113.2G114G114-S116 PolarHBondContact O-N 3.33Å
117N24.8Very low27Very low163 Ų163136 Ų13687%0.87280%0.796SS**  trans59.6110.8141.4-59.7-21.5000120.8
118A23.6Very low26.8Very low101 Ų101137.9 Ų137.984%0.83581%0.805SS**  trans-57.7137.4159.900000112.4
119S28.9Very low26.1Very low116 Ų116133.5 Ų133.581%0.81180%0.804SS**  trans-121.2108.4157.352.90000107.9
120E25.9Very low25.5Very low162 Ų162132.6 Ų132.676%0.75781%0.809SS**PPolyproline II helixtrans-69.8140.3178.5-62.8-176140.700111.5
121P28.1Very low25.7Very low131 Ų131131.9 Ų131.985%0.85181%0.81SS**PPolyproline II helixtrans-88.9120.2163107.2000110.6
122T21.9Very low26.2Very low133 Ų133136.6 Ų136.682%0.81683%0.826SS**PPolyproline II helixtrans-73135.8176.1-60.90000112.2
123C22.7Very low26.6Very low111 Ų111136.5 Ų136.575%0.7582%0.817SS**PPolyproline II helixtrans-85.9144.2176.9176.70000112.3
124S27.5Very low27.3Very low114 Ų114132.6 Ų132.680%0.79781%0.806SS**  trans-147.5108164.8-72.80000111
125S26.4Very low28.3Very low109 Ų109135 Ų13576%0.76281%0.807SS**  trans-67.5139.3177.640.70000114.6
126R26.2Very low29.8Very low251 Ų251130.6 Ų130.695%0.94779%0.786SS**  trans-146.3125150.2-70.6-167.1-179.2-160.4-0.6111.3
127L26.1Very low31.8Very low176 Ų176127 Ų12792%0.92176%0.762SS**  trans-79.9131.8172.3-73.1153.4000110.1
128S29.7Very low34Very low124 Ų124124.6 Ų124.687%0.86776%0.755SS**  trans-158.9118.7155-86.60000109.2
129G22.3Very low36.6Very low74 Ų74127.4 Ų127.476%0.76375%0.751SS**  trans-69.2145-178.900000113.3
130S25.9Very low39.5Very low110 Ų110124 Ų12477%0.76972%0.723SS**  trans-175.5135.6148.6-78.20000108.5L132S130-L132 PolarHBondContact O-N 2.81Å
131T31.2Very low42.6Very low140 Ų140119.8 Ų119.886%0.85970%0.704SS**  trans10.493.8164.4-44.80000116.3I133T131-I133 PolarHBondContact O-N 3.49Å
132L36Very low45.5Very low161 Ų161115.1 Ų115.184%0.84367%0.671SS**  trans-69.584.4-177.8-64165.7000111.3S130 P134S130-L132 PolarHBondContact O-N 2.81Å; L132-P134 WeakPolarHBondContact O-CD 3.14Å
133I36Very low48.8Very low133 Ų133112.7 Ų112.768%0.68265%0.653SS**  trans-69.3121.3132.5-59.2174.8000103.1T131 T135T131-I133 PolarHBondContact O-N 3.49Å; I133-T135 PolarHBondContact O-N 3.36Å
134P40Very low52.2Low95 Ų95107.4 Ų107.462%0.61762%0.617SS**  trans-61.787.2172.9-19.932.9000108.2L132 E136L132-P134 WeakPolarHBondContact O-CD 3.14Å; P134-E136 PolarHBondContact O-N 2.93Å
135T44.5Very low55.3Low122 Ų122105.2 Ų105.275%0.74859%0.594SS**  trans-69.892.7160.446.60000103.5I133 S137I133-T135 PolarHBondContact O-N 3.36Å; T135-S137 PolarHBondContact O-N 3.04Å
136E53.4Low58.6Low113 Ų113100 Ų10053%0.52856%0.558SS.*  trans-53.5105.7173.8-67.2-176.4158.500107P134 C174P134-E136 PolarHBondContact O-N 2.93Å; E136-C174 HydrophobicContact CG-CB 4.45Å
137S66.7Low62Low29 Ų2989.7 Ų89.720%0.20352%0.521CS..  trans-65.3138.1175.960.50000106.8T135 E139 D140T135-S137 PolarHBondContact O-N 3.04Å; S137-E139 PolarHBondContact O-N 3.3Å; S137-E139 WeakPolarHBondContact OG-CG 3.14Å; S137-E139 PolarHBondContact OG-OE1 3.33Å; S137-D140 PolarHBondContact O-N 3.2Å; S137-D140 PolarHBondContact OG-OD2 3.43Å
138P71.7Confident65.3Low111 Ų11182.7 Ų82.772%0.72149%0.486SS*.G310 helixtrans-59.2-22.8-177.823-32.9000112.4D140 Q141P138-D140 VanDerWaalsContact C-N 3.34Å; P138-Q141 PolarHBondContact O-N 3.4Å
139E77.4Confident68.2Low161 Ų16177.5 Ų77.575%0.75245%0.448SS*.G310 helixtrans-66.9-26.3175.160.8-169.817800114.2S137S137-E139 PolarHBondContact O-N 3.3Å; S137-E139 WeakPolarHBondContact OG-CG 3.14Å; S137-E139 PolarHBondContact OG-OE1 3.33Å
140D89.5Confident71.3Confident44 Ų4477.3 Ų77.324%0.23543%0.433CS..G310 helixtrans-86.1-7.8-179.6-76.3-29000113.3S137 P138 I142 S175 V176S137-D140 PolarHBondContact O-N 3.2Å; S137-D140 PolarHBondContact OG-OD2 3.43Å; P138-D140 VanDerWaalsContact C-N 3.34Å; D140-I142 PolarHBondContact O-N 3.49Å; D140-S175 WeakPolarHBondContact O-CB 3Å; D140-S175 PolarHBondContact O-N 3.31Å; D140-S175 PolarHBondContact O-OG 2.98Å; D140-V176 HydrophobicContact CB-CG2 4.23Å; D140-V176 WeakPolarHBondContact OD2-CG2 3.35Å
141Q90.6Very high74Confident73 Ų7376 Ų7634%0.34144%0.436SS..EExtended strand (participates in β ladder)trans-76.2125-178.4-67.5-172.938.900111.5P138P138-Q141 PolarHBondContact O-N 3.4Å
142I90.8Very high76.8Confident33 Ų3369.9 Ų69.917%0.16940%0.398CS..EExtended strand (participates in β ladder)trans-122.6151.6176.759.6165.8000111.3D140 F144 R172 A173 I239 L255D140-I142 PolarHBondContact O-N 3.49Å; I142-F144 HydrophobicContact CD1-CD1 3.81Å; I142-F144 HydrophobicContact CD1-CE1 4.02Å; I142-F144 HydrophobicContact CG1-CD1 4.06Å; I142-F144 HydrophobicContact CG1-CE1 4.22Å; I142-R172 WeakPolarHBondContact O-CA 3.04Å; I142-A173 WeakPolarHBondContact CG1-O 3.47Å; I142-A173 PolarHBondContact N-O 2.85Å; I142-A173 PolarHBondContact O-N 3.1Å; I142-I239 HydrophobicContact CD1-CB 3.91Å; I142-I239 HydrophobicContact CD1-CG1 4.49Å; I142-I239 HydrophobicContact CD1-CG2 3.38Å; I142-L255 HydrophobicContact CD1-CD1 4.37Å
143L90.3Very high79.2Confident82 Ų8267.8 Ų67.843%0.42939%0.387SS..EExtended strand (participates in β ladder)trans-115.4130.8173.9-8560.4000108.3F170 V171 R172L143-F170 HydrophobicContact CB-CE1 4.01Å; L143-F170 HydrophobicContact CB-CE2 4.28Å; L143-F170 HydrophobicContact CB-CZ 3.6Å; L143-F170 HydrophobicContact CD2-CE1 3.39Å; L143-F170 HydrophobicContact CD2-CZ 3.55Å; L143-F170 HydrophobicContact CG-CE1 3.69Å; L143-F170 HydrophobicContact CG-CZ 3.81Å; L143-V171 WeakPolarHBondContact CA-O 3.49Å; L143-R172 HydrophobicContact CD1-CB 4.2Å; L143-R172 HydrophobicContact CD1-CG 3.97Å
144F93.7Very high81.9Confident1 Ų161.7 Ų61.70%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-146.2161.6178.356.6-96.4000112I142 V171 A173 L183 L255 F257I142-F144 HydrophobicContact CD1-CD1 3.81Å; I142-F144 HydrophobicContact CD1-CE1 4.02Å; I142-F144 HydrophobicContact CG1-CD1 4.06Å; I142-F144 HydrophobicContact CG1-CE1 4.22Å; F144-V171 HydrophobicContact CD2-CB 4.15Å; F144-V171 HydrophobicContact CE1-CB 4.46Å; F144-V171 HydrophobicContact CE1-CG1 4.37Å; F144-V171 HydrophobicContact CE2-CB 3.62Å; F144-V171 HydrophobicContact CE2-CG1 3.98Å; F144-V171 HydrophobicContact CE2-CG2 4.15Å; F144-V171 HydrophobicContact CZ-CB 3.79Å; F144-V171 HydrophobicContact CZ-CG1 3.66Å; F144-V171 PolarHBondContact N-O 2.85Å; F144-V171 VanDerWaalsContact N-O 3.1Å; F144-V171 PolarHBondContact O-N 3.05Å; F144-A173 HydrophobicContact CE1-CB 4.04Å; F144-A173 HydrophobicContact CZ-CB 4.34Å; F144-L183 HydrophobicContact CE2-CD2 3.95Å; F144-L183 HydrophobicContact CZ-CD2 3.68Å; F144-L255 HydrophobicContact CB-CB 3.84Å; F144-L255 WeakPolarHBondContact CB-O 3.34Å; F144-F257 HydrophobicContact CB-CD2 4.42Å; F144-F257 HydrophobicContact CB-CE2 4.39Å; F144-F257 HydrophobicContact CD1-CE2 4.49Å; F144-F257 AromaticContact CD2-CD2 3.49Å; F144-F257 HydrophobicContact CD2-CD2 3.49Å; F144-F257 VanDerWaalsContact CD2-CD2 3.49Å; F144-F257 AromaticContact CD2-CE2 3.84Å; F144-F257 HydrophobicContact CD2-CE2 3.84Å; F144-F257 AromaticContact CE2-CD2 3.92Å; F144-F257 HydrophobicContact CE2-CD2 3.92Å; F144-F257 HydrophobicContact CE2-CE2 4.22Å; F144-F257 HydrophobicContact CG-CD2 4.05Å; F144-F257 AromaticContact CG-CE2 3.99Å; F144-F257 HydrophobicContact CG-CE2 3.99Å
145H93.4Very high84.3Confident67 Ų6761.1 Ų61.131%0.3135%0.354SS..EExtended strand (participates in β ladder)trans-91.6136.3175.8-72.1-88.6000110.6L147 F170 L255 F257H145-L147 HydrophobicContact CB-CD2 4.14Å; H145-L147 HydrophobicContact CB-CG 4.15Å; H145-F170 AromaticContact CE1-CD2 3.6Å; H145-F170 AromaticContact CE1-CE2 3.95Å; H145-F170 AromaticContact ND1-CD2 3.89Å; H145-F170 AromaticContact NE2-CD2 3.75Å; H145-F170 AromaticContact NE2-CE2 3.65Å; H145-L255 PolarHBondContact N-O 2.9Å; H145-L255 VanDerWaalsContact N-O 3.13Å; H145-F257 PolarHBondContact O-N 3.3Å
146L96.4Very high86.6Confident0 Ų060.6 Ų60.60%034%0.342CS..EExtended strand (participates in β ladder)trans-120.8102.3171.1-176.560.2000107.7H169 V171 F186 L187 I220 F257 Y259L146-H169 HydrophobicContact CB-CB 4.26Å; L146-H169 PolarHBondContact N-O 3.15Å; L146-H169 PolarHBondContact O-N 3.34Å; L146-V171 HydrophobicContact CB-CG2 4.15Å; L146-V171 HydrophobicContact CD2-CG2 4.3Å; L146-F186 HydrophobicContact CD2-CD1 4.18Å; L146-F186 HydrophobicContact CD2-CE1 4.28Å; L146-L187 HydrophobicContact CD2-CD1 3.87Å; L146-L187 HydrophobicContact CD2-CD2 3.64Å; L146-L187 HydrophobicContact CD2-CG 3.7Å; L146-L187 HydrophobicContact CG-CD1 4.43Å; L146-L187 HydrophobicContact CG-CD2 4.26Å; L146-I220 HydrophobicContact CD1-CD1 4.3Å; L146-F257 CarbonylContact C-O 3.57Å; L146-F257 WeakPolarHBondContact CA-O 3.5Å; L146-F257 HydrophobicContact CD1-CB 3.54Å; L146-Y259 HydrophobicContact CD1-CD1 4.16Å; L146-Y259 HydrophobicContact CG-CD1 3.88Å
147L96Very high88.5Confident35 Ų3556 Ų5618%0.18332%0.32CS..EExtended strand (participates in β ladder)trans-104.9146.3-168.1-57.1176.6000110.6H145 P168 F257 Y258 Y259H145-L147 HydrophobicContact CB-CD2 4.14Å; H145-L147 HydrophobicContact CB-CG 4.15Å; L147-P168 HydrophobicContact CD2-CB 3.61Å; L147-F257 PolarHBondContact N-O 3.07Å; L147-Y258 HydrophobicContact CB-CD1 3.99Å; L147-Y258 HydrophobicContact CB-CE1 3.93Å; L147-Y258 HydrophobicContact CD1-CE1 4.17Å; L147-Y258 HydrophobicContact CD1-CE2 4.41Å; L147-Y258 CarbonylContact O-C 3.58Å; L147-Y258 WeakPolarHBondContact O-CA 3.34Å; L147-Y259 VanDerWaalsContact C-CD1 3.43Å; L147-Y259 WeakPolarHBondContact O-CD1 3.47Å; L147-Y259 PolarHBondContact O-N 3.41Å
148P95.6Very high89.7Confident28 Ų2857.4 Ų57.418%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-64.9144.1170.627.3-32.9000109.8M152 V166 Y259P148-M152 HydrophobicContact CB-CE 3.61Å; P148-V166 HydrophobicContact CB-CG1 3.66Å; P148-V166 HydrophobicContact CG-CG1 4.05Å; P148-Y259 HydrophobicContact CB-CE1 4.11Å; P148-Y259 HydrophobicContact CB-CE2 4.44Å; P148-Y259 VanDerWaalsContact N-CE1 3.3Å
149Y91.7Very high90.7Very high16 Ų1656 Ų566%0.06333%0.327CS..PPolyproline II helixtrans-57.6133.4171.9-159.2-88.2000111.2G151 M152 L228 Y259 Y260 P272 P273 S274 P275Y149-G151 PolarHBondContact O-N 3.25Å; Y149-M152 VanDerWaalsContact O-CB 3.24Å; Y149-M152 WeakPolarHBondContact O-CB 3.49Å; Y149-M152 PolarHBondContact O-N 2.67Å; Y149-L228 HydrophobicContact CD2-CD1 3.98Å; Y149-L228 HydrophobicContact CE2-CD1 3.54Å; Y149-Y259 WeakPolarHBondContact CB-O 3.4Å; Y149-Y259 PolarHBondContact N-O 3.5Å; Y149-Y260 HydrophobicContact CD1-CD2 4.32Å; Y149-Y260 HydrophobicContact CG-CD2 4.11Å; Y149-P272 HydrophobicContact CD1-CB 4.09Å; Y149-P272 HydrophobicContact CD1-CG 4.45Å; Y149-P272 HydrophobicContact CD2-CG 4.48Å; Y149-P272 HydrophobicContact CE1-CB 3.53Å; Y149-P272 HydrophobicContact CE1-CG 4.14Å; Y149-P272 HydrophobicContact CE2-CB 4.36Å; Y149-P272 HydrophobicContact CE2-CG 4.12Å; Y149-P272 PolarHBondContact OH-O 3Å; Y149-P272 VanDerWaalsContact OH-O 3.07Å; Y149-P273 PolarHBondContact OH-O 3.3Å; Y149-S274 WeakPolarHBondContact OH-CA 3.19Å; Y149-S274 PolarHBondContact OH-N 3.1Å; Y149-P275 HydrophobicContact CD1-CG 4.12Å; Y149-P275 HydrophobicContact CD2-CG 4.48Å; Y149-P275 HydrophobicContact CE1-CB 3.97Å; Y149-P275 HydrophobicContact CE1-CG 3.51Å; Y149-P275 HydrophobicContact CE2-CG 3.95Å; Y149-P275 VanDerWaalsContact CZ-CG 3.46Å; Y149-P275 WeakPolarHBondContact OH-CD 3.34Å
150P86.8Confident91.3Very high70 Ų7052 Ų5246%0.45531%0.311SS..THydrogen-bonded Turntrans-53.6127.1176.5-27.733.8000112.6M152 Y258 P275P150-M152 VanDerWaalsContact C-N 3.29Å; P150-M152 PolarHBondContact O-N 2.73Å; P150-Y258 HydrophobicContact CG-CE1 4.31Å; P150-P275 HydrophobicContact CB-CB 3.84Å; P150-P275 HydrophobicContact CB-CG 4.21Å; P150-P275 HydrophobicContact CG-CB 3.86Å; P150-P275 HydrophobicContact CG-CG 3.75Å
151G83.5Confident91.6Very high81 Ų8150 Ų5084%0.83530%0.301SS*.THydrogen-bonded Turntrans76.77.3-179.500000115.3Y149 L153Y149-G151 PolarHBondContact O-N 3.25Å; G151-L153 PolarHBondContact O-N 2.7Å
152M88.1Confident91.8Very high13 Ų1347.3 Ų47.36%0.06429%0.29CS..  trans-58.1123171.5178.8169.26700110.4P148 Y149 P150 L154 V166 Y259 Y260 Y261P148-M152 HydrophobicContact CB-CE 3.61Å; Y149-M152 VanDerWaalsContact O-CB 3.24Å; Y149-M152 WeakPolarHBondContact O-CB 3.49Å; Y149-M152 PolarHBondContact O-N 2.67Å; P150-M152 VanDerWaalsContact C-N 3.29Å; P150-M152 PolarHBondContact O-N 2.73Å; M152-L154 HydrophobicContact CG-CD2 4.31Å; M152-V166 HydrophobicContact CE-CB 4.27Å; M152-V166 HydrophobicContact CE-CG1 3.95Å; M152-V166 HydrophobicContact CE-CG2 3.8Å; M152-Y259 HydrophobicContact CE-CD2 4.08Å; M152-Y259 HydrophobicContact CE-CE2 3.51Å; M152-Y260 HydrophobicContact CB-CD2 4.03Å; M152-Y260 HydrophobicContact CB-CE2 4.02Å; M152-Y260 HydrophobicContact CG-CD2 3.92Å; M152-Y260 HydrophobicContact CG-CE2 3.89Å; M152-Y260 HydrophobicContact SD-CD2 3.95Å; M152-Y260 HydrophobicContact SD-CE2 4.46Å; M152-Y260 HydrophobicContact SD-CG 4.23Å; M152-Y261 HydrophobicContact CE-CD2 4.05Å; M152-Y261 HydrophobicContact CE-CE2 4.47Å; M152-Y261 HydrophobicContact SD-CD2 4.06Å; M152-Y261 PolarHBondContact SD-N 2.76Å; M152-Y261 VanDerWaalsContact SD-N 3.4Å
153L87.5Confident91.9Very high116 Ų11655.5 Ų55.561%0.60732%0.318SS*.  trans-123.5132.6177-175.966.5000109.3G151G151-L153 PolarHBondContact O-N 2.7Å
154L91.8Very high92.1Very high5 Ų552.2 Ų52.23%0.02630%0.301CS..  trans-107.3101.7177.3-57-177.1000108.8M152 F157 S162 L165 V166 Y261 E263M152-L154 HydrophobicContact CG-CD2 4.31Å; L154-F157 HydrophobicContact CB-CB 4.23Å; L154-F157 HydrophobicContact CB-CD2 3.85Å; L154-F157 HydrophobicContact CB-CG 4.42Å; L154-F157 HydrophobicContact CD1-CD2 4.18Å; L154-S162 PolarHBondContact O-OG 3.43Å; L154-L165 HydrophobicContact CD1-CB 3.81Å; L154-L165 HydrophobicContact CD1-CD1 3.83Å; L154-L165 HydrophobicContact CD1-CG 4.49Å; L154-V166 HydrophobicContact CD1-CG2 3.86Å; L154-V166 HydrophobicContact CG-CG2 4.02Å; L154-Y261 HydrophobicContact CD1-CD2 4.05Å; L154-Y261 HydrophobicContact CD2-CD2 4.26Å; L154-E263 VanDerWaalsContact C-OE1 3.32Å; L154-E263 WeakPolarHBondContact CA-OE1 3.2Å; L154-E263 HydrophobicContact CD2-CG 4.18Å
155S91.1Very high92.2Very high84 Ų8452.2 Ų52.259%0.58730%0.301SS*.SBendtrans-84.6-21.6-173.8650000113.5F157 E263S155-F157 VanDerWaalsContact C-N 3.33Å; S155-E263 VanDerWaalsContact N-CD 3.33Å; S155-E263 PolarHBondContact N-OE1 3.06Å; S155-E263 PolarHBondContact N-OE2 3.49Å; S155-E263 PolarHBondContact OG-OE2 2.89Å
156K91.8Very high92.2Very high111 Ų11151.1 Ų51.148%0.48330%0.299SS..SBendtrans-84.5-10.9177.2-61-72.8-177.1174.50112.7N214 E263K156-N214 HydrophobicContact CB-CB 3.99Å; K156-E263 VanDerWaalsContact CB-OE1 3.23Å; K156-E263 WeakPolarHBondContact CB-OE1 3.43Å; K156-E263 HydrophobicContact CG-CB 4.17Å; K156-E263 HydrophobicContact CG-CG 4.37Å; K156-E263 PolarHBondContact N-OE1 2.81Å
157F93.2Very high92Very high17 Ų1753.5 Ų53.58%0.07531%0.308CS..SBendtrans-103.4148.8179.5-69-92.1000110.8L154 S155 A161 S162 L165 L195 L210 I211 N214 I215 E263L154-F157 HydrophobicContact CB-CB 4.23Å; L154-F157 HydrophobicContact CB-CD2 3.85Å; L154-F157 HydrophobicContact CB-CG 4.42Å; L154-F157 HydrophobicContact CD1-CD2 4.18Å; S155-F157 VanDerWaalsContact C-N 3.33Å; F157-A161 HydrophobicContact CB-CB 4.09Å; F157-A161 HydrophobicContact CD1-CB 4.12Å; F157-S162 VanDerWaalsContact CB-OG 3.28Å; F157-S162 WeakPolarHBondContact CB-OG 3.13Å; F157-S162 PolarHBondContact O-OG 2.84Å; F157-L165 HydrophobicContact CD1-CD1 3.66Å; F157-L165 HydrophobicContact CD2-CD1 4.33Å; F157-L165 HydrophobicContact CE1-CD1 3.54Å; F157-L165 HydrophobicContact CE2-CD1 4.2Å; F157-L165 HydrophobicContact CG-CD1 4.06Å; F157-L165 HydrophobicContact CZ-CD1 3.81Å; F157-L195 HydrophobicContact CD1-CD1 4.46Å; F157-L195 HydrophobicContact CE1-CD1 4.08Å; F157-L210 HydrophobicContact CE1-CB 4.36Å; F157-I211 HydrophobicContact CE1-CD1 4Å; F157-I211 HydrophobicContact CZ-CD1 4.05Å; F157-N214 HydrophobicContact CD2-CB 4.46Å; F157-N214 HydrophobicContact CE2-CB 3.63Å; F157-N214 HydrophobicContact CZ-CB 3.71Å; F157-I215 HydrophobicContact CE2-CD1 4.45Å; F157-I215 HydrophobicContact CE2-CG1 4.03Å; F157-I215 HydrophobicContact CZ-CD1 4.09Å; F157-I215 HydrophobicContact CZ-CG1 3.85Å; F157-E263 WeakPolarHBondContact CD2-OE1 3.07Å
158S93.4Very high92Very high58 Ų5855.8 Ų55.841%0.40633%0.325SS..  trans-61.7154.7170.871.80000110.2N160 A161 S162S158-N160 PolarHBondContact O-N 3.27Å; S158-N160 VanDerWaalsContact O-N 3.11Å; S158-A161 PolarHBondContact O-N 2.7Å; S158-A161 WeakPolarHBondContact OG-CB 3.41Å; S158-A161 PolarHBondContact OG-N 3.24Å; S158-S162 PolarHBondContact O-N 3.39Å; S158-S162 PolarHBondContact O-OG 3.43Å; S158-S162 VanDerWaalsContact O-OG 3.06Å
159A91.6Very high91.9Very high80 Ų8055 Ų5566%0.66132%0.319SS*.Hα-helixtrans-55.4-35.5-178.400000113.2R163A159-R163 VanDerWaalsContact O-CG 3.26Å; A159-R163 WeakPolarHBondContact O-CG 3.36Å; A159-R163 PolarHBondContact O-N 3.2Å; A159-R163 VanDerWaalsContact O-N 3.14Å
160N91.3Very high91.8Very high79 Ų7959.2 Ų59.242%0.42234%0.338SS..Hα-helixtrans-67.1-51.3174.2-174-3.9000111.3S158 S162 R163 I164S158-N160 PolarHBondContact O-N 3.27Å; S158-N160 VanDerWaalsContact O-N 3.11Å; N160-S162 VanDerWaalsContact C-N 3.3Å; N160-S162 PolarHBondContact O-N 3.28Å; N160-R163 WeakPolarHBondContact O-CB 3.43Å; N160-R163 PolarHBondContact O-N 3.37Å; N160-R163 VanDerWaalsContact O-N 3.1Å; N160-I164 WeakPolarHBondContact O-CG1 3.32Å; N160-I164 PolarHBondContact O-N 2.77Å; N160-I164 VanDerWaalsContact OD1-CD1 3.27Å; N160-I164 WeakPolarHBondContact OD1-CD1 3.32Å
161A94.4Very high92.1Very high2 Ų256.4 Ų56.42%0.01732%0.32CS..Hα-helixtrans-58.1-42.7177.800000111.9F157 S158 R163 I164 L165 L195 T203F157-A161 HydrophobicContact CB-CB 4.09Å; F157-A161 HydrophobicContact CD1-CB 4.12Å; S158-A161 PolarHBondContact O-N 2.7Å; S158-A161 WeakPolarHBondContact OG-CB 3.41Å; S158-A161 PolarHBondContact OG-N 3.24Å; A161-R163 VanDerWaalsContact C-N 3.35Å; A161-R163 PolarHBondContact O-N 3.33Å; A161-I164 WeakPolarHBondContact O-CB 3.4Å; A161-I164 PolarHBondContact O-N 3.48Å; A161-I164 VanDerWaalsContact O-N 3.12Å; A161-L165 WeakPolarHBondContact O-CG 3.27Å; A161-L165 PolarHBondContact O-N 2.85Å; A161-L195 HydrophobicContact CB-CD2 3.75Å; A161-T203 HydrophobicContact CB-CG2 4.3Å
162S94.7Very high92.4Very high15 Ų1560.5 Ų60.511%0.10531%0.31CS..Hα-helixtrans-59.6-43.2175.6-55.10000111.7L154 F157 S158 N160 I164 L165 V166L154-S162 PolarHBondContact O-OG 3.43Å; F157-S162 VanDerWaalsContact CB-OG 3.28Å; F157-S162 WeakPolarHBondContact CB-OG 3.13Å; F157-S162 PolarHBondContact O-OG 2.84Å; S158-S162 PolarHBondContact O-N 3.39Å; S158-S162 PolarHBondContact O-OG 3.43Å; S158-S162 VanDerWaalsContact O-OG 3.06Å; N160-S162 VanDerWaalsContact C-N 3.3Å; N160-S162 PolarHBondContact O-N 3.28Å; S162-I164 VanDerWaalsContact C-N 3.29Å; S162-I164 PolarHBondContact O-N 3.02Å; S162-L165 PolarHBondContact O-N 3.5Å; S162-V166 VanDerWaalsContact O-CB 3.31Å; S162-V166 WeakPolarHBondContact O-CB 3.33Å; S162-V166 WeakPolarHBondContact O-CG2 3.44Å; S162-V166 PolarHBondContact O-N 3.38Å
163R93.4Very high92.7Very high205 Ų20560.7 Ų60.777%0.77431%0.313SS*.Hα-helixtrans-64.2-32.3175.4-73173.667.7174.82.6113.2A159 N160 A161A159-R163 VanDerWaalsContact O-CG 3.26Å; A159-R163 WeakPolarHBondContact O-CG 3.36Å; A159-R163 PolarHBondContact O-N 3.2Å; A159-R163 VanDerWaalsContact O-N 3.14Å; N160-R163 WeakPolarHBondContact O-CB 3.43Å; N160-R163 PolarHBondContact O-N 3.37Å; N160-R163 VanDerWaalsContact O-N 3.1Å; A161-R163 VanDerWaalsContact C-N 3.35Å; A161-R163 PolarHBondContact O-N 3.33Å
164I94.5Very high93Very high14 Ų1455.5 Ų55.57%0.07229%0.286CS..Hα-helixtrans-71.2-39.8176.9-68.1163.5000110.9N160 A161 S162 R167 D194 L195 K198 A199N160-I164 WeakPolarHBondContact O-CG1 3.32Å; N160-I164 PolarHBondContact O-N 2.77Å; N160-I164 VanDerWaalsContact OD1-CD1 3.27Å; N160-I164 WeakPolarHBondContact OD1-CD1 3.32Å; A161-I164 WeakPolarHBondContact O-CB 3.4Å; A161-I164 PolarHBondContact O-N 3.48Å; A161-I164 VanDerWaalsContact O-N 3.12Å; S162-I164 VanDerWaalsContact C-N 3.29Å; S162-I164 PolarHBondContact O-N 3.02Å; I164-R167 WeakPolarHBondContact O-CD 3.46Å; I164-R167 WeakPolarHBondContact O-CG 3.5Å; I164-D194 HydrophobicContact CG2-CB 3.62Å; I164-L195 HydrophobicContact CB-CD2 4.23Å; I164-L195 HydrophobicContact CD1-CD2 4.45Å; I164-L195 HydrophobicContact CG2-CD2 4.06Å; I164-K198 HydrophobicContact CD1-CB 3.98Å; I164-K198 WeakPolarHBondContact CD1-O 3.4Å; I164-K198 HydrophobicContact CG1-CB 4.13Å; I164-K198 HydrophobicContact CG2-CB 4.11Å; I164-A199 HydrophobicContact CD1-CB 3.79Å
165L95.2Very high93.2Very high1 Ų155.7 Ų55.71%0.00529%0.289CS..Hα-helixtrans-80.8-33.3-177.4-66.7-178.7000113.8L154 F157 A161 S162 R167 A191 L195 I211 Y259 Y261L154-L165 HydrophobicContact CD1-CB 3.81Å; L154-L165 HydrophobicContact CD1-CD1 3.83Å; L154-L165 HydrophobicContact CD1-CG 4.49Å; F157-L165 HydrophobicContact CD1-CD1 3.66Å; F157-L165 HydrophobicContact CD2-CD1 4.33Å; F157-L165 HydrophobicContact CE1-CD1 3.54Å; F157-L165 HydrophobicContact CE2-CD1 4.2Å; F157-L165 HydrophobicContact CG-CD1 4.06Å; F157-L165 HydrophobicContact CZ-CD1 3.81Å; A161-L165 WeakPolarHBondContact O-CG 3.27Å; A161-L165 PolarHBondContact O-N 2.85Å; S162-L165 PolarHBondContact O-N 3.5Å; L165-R167 PolarHBondContact O-N 3.34Å; L165-A191 HydrophobicContact CD2-CB 3.49Å; L165-A191 VanDerWaalsContact CD2-CB 3.49Å; L165-L195 HydrophobicContact CD1-CD1 4.28Å; L165-L195 HydrophobicContact CD2-CD1 4.27Å; L165-L195 HydrophobicContact CD2-CD2 4.18Å; L165-L195 HydrophobicContact CD2-CG 3.89Å; L165-L195 HydrophobicContact CG-CD1 4.5Å; L165-L195 HydrophobicContact CG-CD2 4.08Å; L165-L195 HydrophobicContact CG-CG 4.27Å; L165-I211 HydrophobicContact CD1-CD1 4.05Å; L165-I211 HydrophobicContact CD2-CD1 4.09Å; L165-Y259 PolarHBondContact O-OH 3.17Å; L165-Y261 HydrophobicContact CB-CE2 4.23Å
166V94.7Very high93.4Very high43 Ų4354.1 Ų54.126%0.26128%0.275SS..SBendtrans-93.376.7-178.4-175.30000108.7P148 M152 L154 S162P148-V166 HydrophobicContact CB-CG1 3.66Å; P148-V166 HydrophobicContact CG-CG1 4.05Å; M152-V166 HydrophobicContact CE-CB 4.27Å; M152-V166 HydrophobicContact CE-CG1 3.95Å; M152-V166 HydrophobicContact CE-CG2 3.8Å; L154-V166 HydrophobicContact CD1-CG2 3.86Å; L154-V166 HydrophobicContact CG-CG2 4.02Å; S162-V166 VanDerWaalsContact O-CB 3.31Å; S162-V166 WeakPolarHBondContact O-CB 3.33Å; S162-V166 WeakPolarHBondContact O-CG2 3.44Å; S162-V166 PolarHBondContact O-N 3.38Å
167R92.8Very high93.7Very high50 Ų5051.9 Ų51.919%0.18927%0.271CS..  trans-144.8150.9-178.771.5-178.5-169.9120.8-2.5112I164 L165 D194 K198 Y259I164-R167 WeakPolarHBondContact O-CD 3.46Å; I164-R167 WeakPolarHBondContact O-CG 3.5Å; L165-R167 PolarHBondContact O-N 3.34Å; R167-D194 IonicContact CZ-OD1 2.67Å; R167-D194 IonicContact CZ-OD2 3.61Å; R167-D194 IonicContact NE-OD2 2.69Å; R167-D194 PolarHBondContact NE-OD2 2.91Å; R167-D194 IonicContact NH2-OD1 3.8Å; R167-D194 PolarHBondContact NH2-OD1 3.36Å; R167-D194 IonicContact NH2-OD2 3.18Å; R167-D194 PolarHBondContact NH2-OD2 3.2Å; R167-K198 VanDerWaalsContact CZ-NZ 3.3Å; R167-K198 VanDerWaalsContact NH1-NZ 3.1Å; R167-K198 VanDerWaalsContact NH2-NZ 3.15Å; R167-Y259 PolarHBondContact N-OH 3.3Å; R167-Y259 VanDerWaalsContact N-OH 3.14Å; R167-Y259 PolarHBondContact O-OH 3.09Å
168P94.3Very high93.9Very high84 Ų8451.7 Ų51.755%0.54527%0.272SS..  trans-66.4143.1176.528.5-35.4000111.3L147L147-P168 HydrophobicContact CD2-CB 3.61Å
169H93.3Very high94.1Very high12 Ų1250 Ų506%0.05626%0.259CS..EExtended strand (participates in β ladder)trans-117.2142.8170.9-57.4-62.9000110.2L146 V171 F186 D194L146-H169 HydrophobicContact CB-CB 4.26Å; L146-H169 PolarHBondContact N-O 3.15Å; L146-H169 PolarHBondContact O-N 3.34Å; H169-V171 HydrophobicContact CB-CG2 4.22Å; H169-F186 HydrophobicContact CB-CE1 4.37Å; H169-D194 IonicContact CE1-OD2 2.86Å
170F90.8Very high94.4Very high104 Ų10446.1 Ų46.146%0.45623%0.227SC..EExtended strand (participates in β ladder)trans-110.8115.5170.9-169.1-109.8000107.9L143 H145L143-F170 HydrophobicContact CB-CE1 4.01Å; L143-F170 HydrophobicContact CB-CE2 4.28Å; L143-F170 HydrophobicContact CB-CZ 3.6Å; L143-F170 HydrophobicContact CD2-CE1 3.39Å; L143-F170 HydrophobicContact CD2-CZ 3.55Å; L143-F170 HydrophobicContact CG-CE1 3.69Å; L143-F170 HydrophobicContact CG-CZ 3.81Å; H145-F170 AromaticContact CE1-CD2 3.6Å; H145-F170 AromaticContact CE1-CE2 3.95Å; H145-F170 AromaticContact ND1-CD2 3.89Å; H145-F170 AromaticContact NE2-CD2 3.75Å; H145-F170 AromaticContact NE2-CE2 3.65Å
171V92.1Very high94.7Very high11 Ų1144.3 Ų44.37%0.06722%0.223CC..EExtended strand (participates in β ladder)trans-113.5127-167-175.70000108.9L143 F144 L146 H169 A173 F186L143-V171 WeakPolarHBondContact CA-O 3.49Å; F144-V171 HydrophobicContact CD2-CB 4.15Å; F144-V171 HydrophobicContact CE1-CB 4.46Å; F144-V171 HydrophobicContact CE1-CG1 4.37Å; F144-V171 HydrophobicContact CE2-CB 3.62Å; F144-V171 HydrophobicContact CE2-CG1 3.98Å; F144-V171 HydrophobicContact CE2-CG2 4.15Å; F144-V171 HydrophobicContact CZ-CB 3.79Å; F144-V171 HydrophobicContact CZ-CG1 3.66Å; F144-V171 PolarHBondContact N-O 2.85Å; F144-V171 VanDerWaalsContact N-O 3.1Å; F144-V171 PolarHBondContact O-N 3.05Å; L146-V171 HydrophobicContact CB-CG2 4.15Å; L146-V171 HydrophobicContact CD2-CG2 4.3Å; H169-V171 HydrophobicContact CB-CG2 4.22Å; V171-A173 HydrophobicContact CG1-CB 4.42Å; V171-F186 HydrophobicContact CG2-CD1 4.34Å; V171-F186 HydrophobicContact CG2-CE1 3.68Å; V171-F186 HydrophobicContact CG2-CZ 4.01Å
172R90.8Very high94.9Very high167 Ų16748.7 Ų48.763%0.6324%0.243SC*.EExtended strand (participates in β ladder)trans-95.9127.2164.8179.2-176.4-65.3-169.60.9107.7I142 L143I142-R172 WeakPolarHBondContact O-CA 3.04Å; L143-R172 HydrophobicContact CD1-CB 4.2Å; L143-R172 HydrophobicContact CD1-CG 3.97Å
173A93.9Very high95Very high17 Ų1748.1 Ų48.114%0.1424%0.238CC..EExtended strand (participates in β ladder)trans-151.9161.3176.200000111.2I142 F144 V171 C178I142-A173 WeakPolarHBondContact CG1-O 3.47Å; I142-A173 PolarHBondContact N-O 2.85Å; I142-A173 PolarHBondContact O-N 3.1Å; F144-A173 HydrophobicContact CE1-CB 4.04Å; F144-A173 HydrophobicContact CZ-CB 4.34Å; V171-A173 HydrophobicContact CG1-CB 4.42Å; A173-C178 HydrophobicContact CB-CB 3.73Å
174C94.9Very high95.2Very high6 Ų639.6 Ų39.64%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-77.5125170.6174.50000109.9E136 V176 T177 C178E136-C174 HydrophobicContact CG-CB 4.45Å; C174-V176 VanDerWaalsContact C-N 3.29Å; C174-V176 PolarHBondContact O-N 3.25Å; C174-V176 WeakPolarHBondContact SG-CG2 3.45Å; C174-T177 VanDerWaalsContact CB-OG1 3.22Å; C174-T177 WeakPolarHBondContact CB-OG1 3.23Å; C174-T177 PolarHBondContact SG-OG1 2.81Å; C174-T177 VanDerWaalsContact SG-OG1 3.34Å; C174-C178 WeakPolarHBondContact O-CB 3.48Å; C174-C178 PolarHBondContact O-N 3.22Å
175S95.1Very high95.3Very high10 Ų1046.4 Ų46.47%0.0724%0.236CC..THydrogen-bonded Turntrans-65.5-30.3-174.767.40000113.5D140 I239 L240D140-S175 WeakPolarHBondContact O-CB 3Å; D140-S175 PolarHBondContact O-N 3.31Å; D140-S175 PolarHBondContact O-OG 2.98Å; S175-I239 PolarHBondContact O-N 3.14Å; S175-L240 WeakPolarHBondContact O-CB 3.41Å; S175-L240 PolarHBondContact O-N 3Å
176V95.9Very high95.3Very high51 Ų5148.9 Ų48.931%0.30925%0.247SC..THydrogen-bonded Turntrans-89.5-24.8-177.6-630000113.9D140 C174 N238 L240D140-V176 HydrophobicContact CB-CG2 4.23Å; D140-V176 WeakPolarHBondContact OD2-CG2 3.35Å; C174-V176 VanDerWaalsContact C-N 3.29Å; C174-V176 PolarHBondContact O-N 3.25Å; C174-V176 WeakPolarHBondContact SG-CG2 3.45Å; V176-N238 WeakPolarHBondContact O-CB 3.39Å; V176-N238 PolarHBondContact O-ND2 3.32Å; V176-L240 HydrophobicContact CG1-CB 4.45Å; V176-L240 HydrophobicContact CG1-CD2 3.66Å
177T96.7Very high95.5Very high63 Ų6346.9 Ų46.939%0.38724%0.235SC..THydrogen-bonded Turntrans-107.3-25.5-17966.80000114.2C174 T179 H182C174-T177 VanDerWaalsContact CB-OG1 3.22Å; C174-T177 WeakPolarHBondContact CB-OG1 3.23Å; C174-T177 PolarHBondContact SG-OG1 2.81Å; C174-T177 VanDerWaalsContact SG-OG1 3.34Å; T177-T179 PolarHBondContact O-N 2.9Å; T177-H182 PolarHBondContact O-CE1 2.85Å; T177-H182 PolarHBondContact O-ND1 3.18Å
178C97.3Very high95.6Very high14 Ų1447.4 Ų47.410%0.09524%0.24CC..  trans-75.3121.7177.8-170.20000110.1A173 C174 N238 I239A173-C178 HydrophobicContact CB-CB 3.73Å; C174-C178 WeakPolarHBondContact O-CB 3.48Å; C174-C178 PolarHBondContact O-N 3.22Å; C178-N238 CarbonylContact O-C 3.5Å; C178-N238 WeakPolarHBondContact O-CA 3.45Å; C178-N238 WeakPolarHBondContact O-CB 3.24Å; C178-I239 HydrophobicContact CB-CG1 4.14Å; C178-I239 WeakPolarHBondContact O-CG1 3.38Å; C178-I239 PolarHBondContact O-N 3.34Å
179T97.9Very high95.6Very high21 Ų2149 Ų4913%0.12924%0.242CC..BIsolated β-bridgetrans-109.3169.5-18065.40000111.8T177 A181 H182 L183 D235 S236 M237 N238T177-T179 PolarHBondContact O-N 2.9Å; T179-A181 VanDerWaalsContact C-N 3.26Å; T179-A181 PolarHBondContact O-N 2.89Å; T179-H182 PolarHBondContact N-ND1 3.48Å; T179-H182 WeakPolarHBondContact O-CA 3.35Å; T179-H182 VanDerWaalsContact O-CB 3.32Å; T179-H182 WeakPolarHBondContact O-CB 3.3Å; T179-H182 PolarHBondContact O-N 2.84Å; T179-H182 PolarHBondContact OG1-N 3.42Å; T179-H182 PolarHBondContact OG1-ND1 3.02Å; T179-L183 PolarHBondContact O-N 3.06Å; T179-D235 WeakPolarHBondContact CB-O 3.45Å; T179-D235 PolarHBondContact OG1-O 3Å; T179-S236 WeakPolarHBondContact CG2-O 3.36Å; T179-M237 VanDerWaalsContact CA-O 3.23Å; T179-M237 WeakPolarHBondContact CA-O 3.48Å; T179-M237 WeakPolarHBondContact CB-O 3.46Å; T179-N238 HydrophobicContact CG2-CB 4.35Å
180I97.5Very high95.7Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-61.4-36.5175-59.2-52.3000111.9H182 L183 K184 I220 L231 D235 M237 I239 V242I180-H182 VanDerWaalsContact C-N 3.28Å; I180-H182 PolarHBondContact O-N 3.23Å; I180-L183 HydrophobicContact CD1-CD1 3.96Å; I180-L183 WeakPolarHBondContact O-CB 3.08Å; I180-L183 PolarHBondContact O-N 3.3Å; I180-L183 VanDerWaalsContact O-N 3.13Å; I180-K184 PolarHBondContact O-N 3.25Å; I180-I220 HydrophobicContact CD1-CG2 4.46Å; I180-I220 HydrophobicContact CG2-CB 4.11Å; I180-I220 HydrophobicContact CG2-CG1 4.25Å; I180-I220 HydrophobicContact CG2-CG2 4.47Å; I180-L231 HydrophobicContact CD1-CB 4.3Å; I180-L231 HydrophobicContact CD1-CD1 3.49Å; I180-L231 VanDerWaalsContact CD1-CD1 3.49Å; I180-L231 HydrophobicContact CG1-CB 4.1Å; I180-L231 HydrophobicContact CG1-CD1 4.09Å; I180-L231 HydrophobicContact CG2-CB 4.1Å; I180-D235 PolarHBondContact N-O 3.36Å; I180-M237 PolarHBondContact N-O 3Å; I180-M237 VanDerWaalsContact N-O 3.13Å; I180-I239 HydrophobicContact CD1-CD1 4.05Å; I180-V242 HydrophobicContact CD1-CG2 4.09Å; I180-V242 HydrophobicContact CG1-CG2 4.18Å
181A97.9Very high95.9Very high40 Ų4044.1 Ų44.133%0.33122%0.22SC..Hα-helixtrans-59.4-39170.400000112.1T179 K184 K185 D235T179-A181 VanDerWaalsContact C-N 3.26Å; T179-A181 PolarHBondContact O-N 2.89Å; A181-K184 PolarHBondContact O-N 2.66Å; A181-K185 WeakPolarHBondContact O-CB 3.22Å; A181-K185 PolarHBondContact O-N 3.13Å; A181-D235 HydrophobicContact CB-CB 4.14Å; A181-D235 VanDerWaalsContact CB-O 3.32Å; A181-D235 WeakPolarHBondContact CB-O 3.47Å; A181-D235 PolarHBondContact N-O 3.2Å
182H98.3Very high96Very high95 Ų9544.5 Ų44.544%0.4422%0.224SC..Hα-helixtrans-65-37.6174.7-64.2153.1000112.2T177 T179 I180 K185 F186T177-H182 PolarHBondContact O-CE1 2.85Å; T177-H182 PolarHBondContact O-ND1 3.18Å; T179-H182 PolarHBondContact N-ND1 3.48Å; T179-H182 WeakPolarHBondContact O-CA 3.35Å; T179-H182 VanDerWaalsContact O-CB 3.32Å; T179-H182 WeakPolarHBondContact O-CB 3.3Å; T179-H182 PolarHBondContact O-N 2.84Å; T179-H182 PolarHBondContact OG1-N 3.42Å; T179-H182 PolarHBondContact OG1-ND1 3.02Å; I180-H182 VanDerWaalsContact C-N 3.28Å; I180-H182 PolarHBondContact O-N 3.23Å; H182-K185 PolarHBondContact O-N 3.32Å; H182-F186 VanDerWaalsContact O-CB 3.32Å; H182-F186 WeakPolarHBondContact O-CB 3.47Å; H182-F186 PolarHBondContact O-N 2.85Å
183L97.6Very high96.1Very high2 Ų237.6 Ų37.61%0.0120%0.201CC..Hα-helixtrans-63.4-44173.7-60.4-171.5000112.2F144 T179 I180 K185 F186 L187 I220 I239 F257F144-L183 HydrophobicContact CE2-CD2 3.95Å; F144-L183 HydrophobicContact CZ-CD2 3.68Å; T179-L183 PolarHBondContact O-N 3.06Å; I180-L183 HydrophobicContact CD1-CD1 3.96Å; I180-L183 WeakPolarHBondContact O-CB 3.08Å; I180-L183 PolarHBondContact O-N 3.3Å; I180-L183 VanDerWaalsContact O-N 3.13Å; L183-K185 PolarHBondContact O-N 3.33Å; L183-F186 PolarHBondContact O-N 3.36Å; L183-L187 PolarHBondContact O-N 3.26Å; L183-I220 HydrophobicContact CB-CD1 4.44Å; L183-I220 HydrophobicContact CB-CG1 4.4Å; L183-I220 HydrophobicContact CD1-CG2 4.25Å; L183-I239 HydrophobicContact CD1-CD1 3.87Å; L183-I239 HydrophobicContact CG-CD1 4.29Å; L183-F257 HydrophobicContact CD1-CD1 4.5Å; L183-F257 HydrophobicContact CD1-CG 4.47Å
184K97.3Very high96.2Very high27 Ų2736.9 Ų36.912%0.11719%0.194CC..Hα-helixtrans-59.9-46174.8-66.6179.5-179.6178.40110.9I180 A181 L187 M188 E217 I218 I220 D235I180-K184 PolarHBondContact O-N 3.25Å; A181-K184 PolarHBondContact O-N 2.66Å; K184-L187 PolarHBondContact O-N 3.15Å; K184-M188 PolarHBondContact O-N 2.99Å; K184-E217 IonicContact NZ-OE1 3.51Å; K184-I218 WeakPolarHBondContact CE-O 3.29Å; K184-I218 HydrophobicContact CG-CB 4.32Å; K184-I220 HydrophobicContact CG-CG1 3.95Å; K184-D235 WeakPolarHBondContact CE-OD1 3.43Å; K184-D235 VanDerWaalsContact NZ-CG 3.3Å; K184-D235 IonicContact NZ-OD1 3.11Å; K184-D235 PolarHBondContact NZ-OD1 3.35Å; K184-D235 IonicContact NZ-OD2 3.93Å; K184-D235 PolarHBondContact NZ-OD2 2.82Å; K184-D235 VanDerWaalsContact NZ-OD2 3.11Å
185K96.5Very high96.2Very high156 Ų15636.6 Ų36.668%0.67819%0.192SC*.Hα-helixtrans-62.9-42.7177.2-171.9178.6-178.4178.90112.2A181 H182 L183 M188 M189A181-K185 WeakPolarHBondContact O-CB 3.22Å; A181-K185 PolarHBondContact O-N 3.13Å; H182-K185 PolarHBondContact O-N 3.32Å; L183-K185 PolarHBondContact O-N 3.33Å; K185-M188 PolarHBondContact O-N 3.31Å; K185-M189 WeakPolarHBondContact O-CB 3.32Å; K185-M189 PolarHBondContact O-N 3.41Å
186F96.3Very high96.1Very high54 Ų5437.7 Ų37.724%0.23720%0.197CC..Hα-helixtrans-57.8-49174.9167.7-99.1000110.8L146 H169 V171 H182 L183 M188 M189 R190L146-F186 HydrophobicContact CD2-CD1 4.18Å; L146-F186 HydrophobicContact CD2-CE1 4.28Å; H169-F186 HydrophobicContact CB-CE1 4.37Å; V171-F186 HydrophobicContact CG2-CD1 4.34Å; V171-F186 HydrophobicContact CG2-CE1 3.68Å; V171-F186 HydrophobicContact CG2-CZ 4.01Å; H182-F186 VanDerWaalsContact O-CB 3.32Å; H182-F186 WeakPolarHBondContact O-CB 3.47Å; H182-F186 PolarHBondContact O-N 2.85Å; L183-F186 PolarHBondContact O-N 3.36Å; F186-M188 PolarHBondContact O-N 3.41Å; F186-M189 PolarHBondContact O-N 3.14Å; F186-R190 HydrophobicContact CE1-CB 4.44Å; F186-R190 HydrophobicContact CZ-CB 4.33Å; F186-R190 HydrophobicContact CZ-CG 4.23Å; F186-R190 WeakPolarHBondContact O-CB 3.24Å; F186-R190 PolarHBondContact O-N 3.22Å
187L97.5Very high96Very high0 Ų035.6 Ų35.60%019%0.185CC..Hα-helixtrans-64.1-38.9179.8-76.6169.6000113.3L146 L183 K184 R190 A191 I218 I220 Y259L146-L187 HydrophobicContact CD2-CD1 3.87Å; L146-L187 HydrophobicContact CD2-CD2 3.64Å; L146-L187 HydrophobicContact CD2-CG 3.7Å; L146-L187 HydrophobicContact CG-CD1 4.43Å; L146-L187 HydrophobicContact CG-CD2 4.26Å; L183-L187 PolarHBondContact O-N 3.26Å; K184-L187 PolarHBondContact O-N 3.15Å; L187-R190 PolarHBondContact O-N 3.44Å; L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 3.15Å; L187-I218 HydrophobicContact CB-CD1 3.58Å; L187-I218 HydrophobicContact CD1-CD1 4.47Å; L187-I218 HydrophobicContact CD1-CG2 3.69Å; L187-I220 HydrophobicContact CD1-CD1 3.62Å; L187-Y259 HydrophobicContact CD1-CD1 4.28Å; L187-Y259 HydrophobicContact CD1-CD2 4.12Å; L187-Y259 HydrophobicContact CD1-CG 3.68Å; L187-Y259 HydrophobicContact CD2-CD1 4.05Å; L187-Y259 HydrophobicContact CD2-CD2 4.27Å; L187-Y259 HydrophobicContact CD2-CE1 4.23Å; L187-Y259 HydrophobicContact CD2-CE2 4.45Å; L187-Y259 HydrophobicContact CD2-CG 4.06Å
188M96.2Very high95.8Very high62 Ų6235.5 Ų35.531%0.30518%0.179SC..Hα-helixtrans-61.6-49.2174.1-80.1-62-158.700111.6K184 K185 F186 R190 A191 A192 I211 I215 I218K184-M188 PolarHBondContact O-N 2.99Å; K185-M188 PolarHBondContact O-N 3.31Å; F186-M188 PolarHBondContact O-N 3.41Å; M188-R190 VanDerWaalsContact C-N 3.32Å; M188-R190 PolarHBondContact O-N 3.32Å; M188-A191 PolarHBondContact O-N 3.17Å; M188-A192 PolarHBondContact O-N 3.42Å; M188-I211 HydrophobicContact SD-CG2 3.92Å; M188-I215 HydrophobicContact CE-CB 4.19Å; M188-I215 HydrophobicContact CE-CG2 3.64Å; M188-I215 HydrophobicContact SD-CB 4.48Å; M188-I215 HydrophobicContact SD-CG2 4.09Å; M188-I218 HydrophobicContact CE-CD1 4.37Å; M188-I218 HydrophobicContact CE-CG1 4.25Å; M188-I218 HydrophobicContact CG-CD1 3.66Å; M188-I218 HydrophobicContact CG-CG1 4.46Å; M188-I218 HydrophobicContact SD-CD1 3.94Å; M188-I218 HydrophobicContact SD-CG1 4.42Å
189M93.4Very high95.7Very high117 Ų11735.3 Ų35.358%0.57618%0.178SC*.Hα-helixtrans-62.3-42.7177.6178.8-96.3-174.200110.9K185 F186 A192 V193K185-M189 WeakPolarHBondContact O-CB 3.32Å; K185-M189 PolarHBondContact O-N 3.41Å; F186-M189 PolarHBondContact O-N 3.14Å; M189-A192 PolarHBondContact O-N 3.14Å; M189-V193 HydrophobicContact CE-CG2 4Å; M189-V193 VanDerWaalsContact O-CG2 3.32Å; M189-V193 WeakPolarHBondContact O-CG2 3.25Å; M189-V193 PolarHBondContact O-N 3.29Å; M189-V193 HydrophobicContact SD-CG2 4.22Å
190R95.2Very high95.4Very high13 Ų1337.5 Ų37.55%0.04919%0.189CC..Hα-helixtrans-66.3-42.1-179-171.856.7174.11661.1112.2I38 C39 L40 F186 L187 M188 A192 V193 D194I38-R190 PolarHBondContact O-NH1 3.2Å; C39-R190 PolarHBondContact O-NH1 3.46Å; C39-R190 PolarHBondContact O-NH2 2.86Å; L40-R190 VanDerWaalsContact CG-NH1 3.31Å; F186-R190 HydrophobicContact CE1-CB 4.44Å; F186-R190 HydrophobicContact CZ-CB 4.33Å; F186-R190 HydrophobicContact CZ-CG 4.23Å; F186-R190 WeakPolarHBondContact O-CB 3.24Å; F186-R190 PolarHBondContact O-N 3.22Å; L187-R190 PolarHBondContact O-N 3.44Å; M188-R190 VanDerWaalsContact C-N 3.32Å; M188-R190 PolarHBondContact O-N 3.32Å; R190-A192 PolarHBondContact O-N 2.94Å; R190-V193 PolarHBondContact O-N 3.09Å; R190-D194 IonicContact CZ-OD1 3.94Å; R190-D194 VanDerWaalsContact CZ-OD1 3.25Å; R190-D194 IonicContact NE-OD1 2.84Å; R190-D194 PolarHBondContact NE-OD1 3.12Å; R190-D194 IonicContact NE-OD2 3.43Å; R190-D194 IonicContact NH1-OD1 3.25Å; R190-D194 IonicContact NH2-OD1 3.25Å; R190-D194 VanDerWaalsContact O-CB 3.3Å; R190-D194 WeakPolarHBondContact O-CB 3.32Å; R190-D194 VanDerWaalsContact O-CG 3.27Å; R190-D194 PolarHBondContact O-N 3.35Å
191A96.1Very high95.1Very high1 Ų142.3 Ų42.31%0.00822%0.215CC..Hα-helixtrans-57.3-47.1174.200000111.8L165 L187 M188 D194 L195 I211L165-A191 HydrophobicContact CD2-CB 3.49Å; L165-A191 VanDerWaalsContact CD2-CB 3.49Å; L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 3.15Å; M188-A191 PolarHBondContact O-N 3.17Å; A191-D194 PolarHBondContact O-N 3.49Å; A191-L195 WeakPolarHBondContact O-CG 3.15Å; A191-L195 PolarHBondContact O-N 2.76Å; A191-I211 HydrophobicContact CB-CD1 3.74Å; A191-I211 HydrophobicContact CB-CG1 4.34Å
192A94.1Very high94.8Very high18 Ų1845.7 Ų45.715%0.14922%0.224CC..Hα-helixtrans-63-45.7177.700000112.1M188 M189 R190 L196 E208 I211M188-A192 PolarHBondContact O-N 3.42Å; M189-A192 PolarHBondContact O-N 3.14Å; R190-A192 PolarHBondContact O-N 2.94Å; A192-L196 VanDerWaalsContact O-CB 3.25Å; A192-L196 WeakPolarHBondContact O-CB 3.13Å; A192-L196 PolarHBondContact O-N 2.86Å; A192-E208 HydrophobicContact CB-CG 4.39Å; A192-I211 HydrophobicContact CB-CG1 4.45Å
193V93.2Very high94.5Very high23 Ų2342.1 Ų42.114%0.13921%0.209CC..Hα-helixtrans-64.9-40178.8171.60000111.8I38 M189 R190 L196 T197I38-V193 HydrophobicContact CG2-CG1 4.18Å; I38-V193 WeakPolarHBondContact O-CG1 3.11Å; M189-V193 HydrophobicContact CE-CG2 4Å; M189-V193 VanDerWaalsContact O-CG2 3.32Å; M189-V193 WeakPolarHBondContact O-CG2 3.25Å; M189-V193 PolarHBondContact O-N 3.29Å; M189-V193 HydrophobicContact SD-CG2 4.22Å; R190-V193 PolarHBondContact O-N 3.09Å; V193-L196 PolarHBondContact O-N 2.83Å; V193-T197 HydrophobicContact CG1-CG2 4.38Å; V193-T197 WeakPolarHBondContact O-CB 3.46Å; V193-T197 WeakPolarHBondContact O-CG2 3.48Å; V193-T197 PolarHBondContact O-N 3.43Å; V193-T197 PolarHBondContact O-OG1 3.18Å
194D95.3Very high94.3Very high2 Ų242.3 Ų42.31%0.01121%0.21CC..Hα-helixtrans-68.4-43.3179.7-76.4-17.8000111.4I164 R167 H169 R190 A191 L196 T197 K198I164-D194 HydrophobicContact CG2-CB 3.62Å; R167-D194 IonicContact CZ-OD1 2.67Å; R167-D194 IonicContact CZ-OD2 3.61Å; R167-D194 IonicContact NE-OD2 2.69Å; R167-D194 PolarHBondContact NE-OD2 2.91Å; R167-D194 IonicContact NH2-OD1 3.8Å; R167-D194 PolarHBondContact NH2-OD1 3.36Å; R167-D194 IonicContact NH2-OD2 3.18Å; R167-D194 PolarHBondContact NH2-OD2 3.2Å; H169-D194 IonicContact CE1-OD2 2.86Å; R190-D194 IonicContact CZ-OD1 3.94Å; R190-D194 VanDerWaalsContact CZ-OD1 3.25Å; R190-D194 IonicContact NE-OD1 2.84Å; R190-D194 PolarHBondContact NE-OD1 3.12Å; R190-D194 IonicContact NE-OD2 3.43Å; R190-D194 IonicContact NH1-OD1 3.25Å; R190-D194 IonicContact NH2-OD1 3.25Å; R190-D194 VanDerWaalsContact O-CB 3.3Å; R190-D194 WeakPolarHBondContact O-CB 3.32Å; R190-D194 VanDerWaalsContact O-CG 3.27Å; R190-D194 PolarHBondContact O-N 3.35Å; A191-D194 PolarHBondContact O-N 3.49Å; D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 2.91Å; D194-T197 PolarHBondContact O-N 3.5Å; D194-K198 WeakPolarHBondContact O-CA 3.45Å; D194-K198 VanDerWaalsContact O-CB 3.23Å; D194-K198 WeakPolarHBondContact O-CB 3.34Å; D194-K198 PolarHBondContact O-N 3.05Å
195L95.6Very high94Very high0 Ų048.1 Ų48.10%024%0.235CC..Hα-helixtrans-64.4-40.2172.6-69.7-173.9000112F157 A161 I164 L165 A191 T197 A199 T203 S204 A207 I211F157-L195 HydrophobicContact CD1-CD1 4.46Å; F157-L195 HydrophobicContact CE1-CD1 4.08Å; A161-L195 HydrophobicContact CB-CD2 3.75Å; I164-L195 HydrophobicContact CB-CD2 4.23Å; I164-L195 HydrophobicContact CD1-CD2 4.45Å; I164-L195 HydrophobicContact CG2-CD2 4.06Å; L165-L195 HydrophobicContact CD1-CD1 4.28Å; L165-L195 HydrophobicContact CD2-CD1 4.27Å; L165-L195 HydrophobicContact CD2-CD2 4.18Å; L165-L195 HydrophobicContact CD2-CG 3.89Å; L165-L195 HydrophobicContact CG-CD1 4.5Å; L165-L195 HydrophobicContact CG-CD2 4.08Å; L165-L195 HydrophobicContact CG-CG 4.27Å; A191-L195 WeakPolarHBondContact O-CG 3.15Å; A191-L195 PolarHBondContact O-N 2.76Å; L195-T197 VanDerWaalsContact C-N 3.28Å; L195-T197 PolarHBondContact O-N 2.58Å; L195-A199 HydrophobicContact CD2-CB 4.34Å; L195-A199 WeakPolarHBondContact O-CB 3.5Å; L195-A199 PolarHBondContact O-N 3.49Å; L195-T203 HydrophobicContact CD2-CG2 4.27Å; L195-S204 PolarHBondContact O-OG 3.05Å; L195-A207 HydrophobicContact CB-CB 3.68Å; L195-I211 HydrophobicContact CD1-CD1 3.67Å; L195-I211 HydrophobicContact CD1-CG1 4.02Å
196L93.2Very high93.7Very high32 Ų3243.4 Ų43.417%0.16822%0.218CC..Hα-helixtrans-59.8-40.1174.3177.467.2000111.3R63 A192 V193 D194 S204 A207R63-L196 HydrophobicContact CB-CD1 4.25Å; R63-L196 HydrophobicContact CB-CG 4.45Å; R63-L196 WeakPolarHBondContact CD-O 3.42Å; R63-L196 VanDerWaalsContact CZ-O 3.3Å; R63-L196 PolarHBondContact NE-O 3.11Å; R63-L196 PolarHBondContact NH1-O 2.69Å; A192-L196 VanDerWaalsContact O-CB 3.25Å; A192-L196 WeakPolarHBondContact O-CB 3.13Å; A192-L196 PolarHBondContact O-N 2.86Å; V193-L196 PolarHBondContact O-N 2.83Å; D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 2.91Å; L196-S204 WeakPolarHBondContact O-CB 3.38Å; L196-S204 PolarHBondContact O-OG 3Å; L196-A207 HydrophobicContact CB-CB 4.37Å
197T93.2Very high93.6Very high8 Ų841 Ų415%0.04921%0.208CC..Hα-helixtrans-102-11.7-170.157.60000115.4I38 C39 C60 R63 V193 D194 L195I38-T197 HydrophobicContact CG2-CG2 3.64Å; C39-T197 HydrophobicContact CB-CG2 4.41Å; C60-T197 HydrophobicContact CB-CG2 4.34Å; R63-T197 VanDerWaalsContact CZ-C 3.41Å; R63-T197 VanDerWaalsContact CZ-CA 3.44Å; R63-T197 VanDerWaalsContact NH1-CA 3.33Å; R63-T197 PolarHBondContact NH1-O 3.32Å; R63-T197 VanDerWaalsContact NH1-O 3.13Å; R63-T197 PolarHBondContact NH2-O 3.14Å; V193-T197 HydrophobicContact CG1-CG2 4.38Å; V193-T197 WeakPolarHBondContact O-CB 3.46Å; V193-T197 WeakPolarHBondContact O-CG2 3.48Å; V193-T197 PolarHBondContact O-N 3.43Å; V193-T197 PolarHBondContact O-OG1 3.18Å; D194-T197 PolarHBondContact O-N 3.5Å; L195-T197 VanDerWaalsContact C-N 3.28Å; L195-T197 PolarHBondContact O-N 2.58Å
198K92.9Very high93.4Very high60 Ų6045.8 Ų45.826%0.26123%0.23SC..Hα-helixtrans-130-17.2-173.3-56.6-177.2177.9-167.20114D41 I164 R167 D194D41-K198 IonicContact OD1-NZ 3.58Å; D41-K198 PolarHBondContact OD1-NZ 3.1Å; D41-K198 WeakPolarHBondContact OD2-CE 3.05Å; D41-K198 IonicContact OD2-NZ 3.5Å; D41-K198 PolarHBondContact OD2-NZ 3.19Å; I164-K198 HydrophobicContact CD1-CB 3.98Å; I164-K198 WeakPolarHBondContact CD1-O 3.4Å; I164-K198 HydrophobicContact CG1-CB 4.13Å; I164-K198 HydrophobicContact CG2-CB 4.11Å; R167-K198 VanDerWaalsContact CZ-NZ 3.3Å; R167-K198 VanDerWaalsContact NH1-NZ 3.1Å; R167-K198 VanDerWaalsContact NH2-NZ 3.15Å; D194-K198 WeakPolarHBondContact O-CA 3.45Å; D194-K198 VanDerWaalsContact O-CB 3.23Å; D194-K198 WeakPolarHBondContact O-CB 3.34Å; D194-K198 PolarHBondContact O-N 3.05Å
199A93.7Very high93.2Very high10 Ų1047.9 Ų47.98%0.08324%0.239CC..SBendtrans-79173.3177.400000111.7I164 L195 T203 S204I164-A199 HydrophobicContact CD1-CB 3.79Å; L195-A199 HydrophobicContact CD2-CB 4.34Å; L195-A199 WeakPolarHBondContact O-CB 3.5Å; L195-A199 PolarHBondContact O-N 3.49Å; A199-T203 HydrophobicContact CB-CG2 3.5Å; A199-S204 PolarHBondContact O-OG 3.36Å
200D92.8Very high93.3Very high67 Ų6744.5 Ų44.536%0.35822%0.223SC..  trans-62.6161.1168.461.9-82.2000111.5E202 T203 S204D200-E202 PolarHBondContact O-N 3Å; D200-E202 VanDerWaalsContact O-N 3.15Å; D200-E202 PolarHBondContact OD2-N 3.35Å; D200-T203 PolarHBondContact O-N 3.43Å; D200-T203 WeakPolarHBondContact OD1-CB 3.3Å; D200-T203 PolarHBondContact OD1-OG1 2.84Å; D200-T203 PolarHBondContact OD2-N 3.31Å; D200-T203 PolarHBondContact OD2-OG1 2.99Å; D200-S204 WeakPolarHBondContact O-CB 3.27Å; D200-S204 PolarHBondContact O-N 3.48Å; D200-S204 PolarHBondContact O-OG 2.82Å
201D90.1Very high93.3Very high102 Ų10244.2 Ų44.255%0.54522%0.223SC..Hα-helixtrans-57.6-32.7-173.4-90.3-19.2000113.9K205D201-K205 WeakPolarHBondContact O-CD 3.4Å; D201-K205 VanDerWaalsContact O-CG 3.24Å; D201-K205 WeakPolarHBondContact O-CG 3.43Å; D201-K205 PolarHBondContact O-N 3.2Å
202E91.5Very high93.2Very high111 Ų11153.2 Ų53.252%0.51926%0.256SS..Hα-helixtrans-75.7-47.4-179.2-169.455.9-151.400110.9D200 S204 K205 N206D200-E202 PolarHBondContact O-N 3Å; D200-E202 VanDerWaalsContact O-N 3.15Å; D200-E202 PolarHBondContact OD2-N 3.35Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.1Å; E202-K205 PolarHBondContact O-N 3Å; E202-K205 IonicContact OE2-NZ 2.76Å; E202-N206 PolarHBondContact O-N 3.45Å; E202-N206 PolarHBondContact O-ND2 3.04Å; E202-N206 PolarHBondContact OE1-ND2 2.87Å; E202-N206 VanDerWaalsContact OE1-ND2 3.1Å
203T93.1Very high93.2Very high19 Ų1957.6 Ų57.612%0.11727%0.274CS..Hα-helixtrans-61-41.8173.4-58.50000111.5A161 L195 A199 D200 K205 N206 A207 L210A161-T203 HydrophobicContact CB-CG2 4.3Å; L195-T203 HydrophobicContact CD2-CG2 4.27Å; A199-T203 HydrophobicContact CB-CG2 3.5Å; D200-T203 PolarHBondContact O-N 3.43Å; D200-T203 WeakPolarHBondContact OD1-CB 3.3Å; D200-T203 PolarHBondContact OD1-OG1 2.84Å; D200-T203 PolarHBondContact OD2-N 3.31Å; D200-T203 PolarHBondContact OD2-OG1 2.99Å; T203-K205 PolarHBondContact O-N 3.46Å; T203-N206 CarbonylContact O-C 3.49Å; T203-N206 PolarHBondContact O-N 3.39Å; T203-A207 WeakPolarHBondContact O-CA 3.2Å; T203-A207 PolarHBondContact O-N 2.98Å; T203-L210 HydrophobicContact CG2-CD1 3.82Å
204S92.3Very high93.2Very high6 Ų657.7 Ų57.74%0.04227%0.274CS..Hα-helixtrans-62.7-37.7-179.6-75.40000113.1R63 L195 L196 A199 D200 E202 N206 A207R63-S204 PolarHBondContact NH1-OG 3.13Å; L195-S204 PolarHBondContact O-OG 3.05Å; L196-S204 WeakPolarHBondContact O-CB 3.38Å; L196-S204 PolarHBondContact O-OG 3Å; A199-S204 PolarHBondContact O-OG 3.36Å; D200-S204 WeakPolarHBondContact O-CB 3.27Å; D200-S204 PolarHBondContact O-N 3.48Å; D200-S204 PolarHBondContact O-OG 2.82Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.1Å; S204-N206 VanDerWaalsContact C-N 3.32Å; S204-A207 WeakPolarHBondContact O-CB 3.33Å
205K90.9Very high93.2Very high149 Ų14958 Ų5865%0.64828%0.275SS*.Hα-helixtrans-67.4-33.9176.7-72.9167.7-164.7165.10112.4D201 E202 T203D201-K205 WeakPolarHBondContact O-CD 3.4Å; D201-K205 VanDerWaalsContact O-CG 3.24Å; D201-K205 WeakPolarHBondContact O-CG 3.43Å; D201-K205 PolarHBondContact O-N 3.2Å; E202-K205 PolarHBondContact O-N 3Å; E202-K205 IonicContact OE2-NZ 2.76Å; T203-K205 PolarHBondContact O-N 3.46Å
206N91.9Very high93Very high58 Ų5864.3 Ų64.331%0.3130%0.304SS..THydrogen-bonded Turntrans-98.77-177.1-61.2-54.9000113E202 T203 S204 E208 Q209 L210E202-N206 PolarHBondContact O-N 3.45Å; E202-N206 PolarHBondContact O-ND2 3.04Å; E202-N206 PolarHBondContact OE1-ND2 2.87Å; E202-N206 VanDerWaalsContact OE1-ND2 3.1Å; T203-N206 CarbonylContact O-C 3.49Å; T203-N206 PolarHBondContact O-N 3.39Å; S204-N206 VanDerWaalsContact C-N 3.32Å; N206-E208 PolarHBondContact O-N 2.66Å; N206-Q209 WeakPolarHBondContact O-CB 3.24Å; N206-Q209 PolarHBondContact O-N 3.34Å; N206-L210 HydrophobicContact CB-CD1 4.18Å; N206-L210 HydrophobicContact CB-CG 4.19Å; N206-L210 WeakPolarHBondContact O-CG 3.42Å; N206-L210 PolarHBondContact O-N 3.21Å
207A93.3Very high92.9Very high3 Ų366.9 Ų66.93%0.02532%0.316CS..Hα-helixtrans-52-52.8-168.700000113.4L195 L196 T203 S204 Q209 L210 I211L195-A207 HydrophobicContact CB-CB 3.68Å; L196-A207 HydrophobicContact CB-CB 4.37Å; T203-A207 WeakPolarHBondContact O-CA 3.2Å; T203-A207 PolarHBondContact O-N 2.98Å; S204-A207 WeakPolarHBondContact O-CB 3.33Å; A207-Q209 VanDerWaalsContact C-N 3.33Å; A207-Q209 PolarHBondContact O-N 3.32Å; A207-L210 PolarHBondContact O-N 3.11Å; A207-I211 WeakPolarHBondContact O-CG1 3.49Å; A207-I211 PolarHBondContact O-N 3.3Å
208E92.5Very high93Very high101 Ų10166.7 Ų66.747%0.47231%0.314SS..Hα-helixtrans-62.3-40.1179.4-70.5-168.6-161.400112.6A192 N206 I211 R212A192-E208 HydrophobicContact CB-CG 4.39Å; N206-E208 PolarHBondContact O-N 2.66Å; E208-I211 PolarHBondContact O-N 2.82Å; E208-R212 WeakPolarHBondContact O-CB 3.46Å; E208-R212 VanDerWaalsContact O-CG 3.27Å; E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 3.3Å; E208-R212 IonicContact OE2-NH2 3.8Å; E208-R212 PolarHBondContact OE2-NH2 3.4Å
209Q93.7Very high93Very high105 Ų10564 Ų6449%0.49130%0.303SS..Hα-helixtrans-66.6-44178.7-178.7177.2-18.100111N206 A207 I211 R212 Q213N206-Q209 WeakPolarHBondContact O-CB 3.24Å; N206-Q209 PolarHBondContact O-N 3.34Å; A207-Q209 VanDerWaalsContact C-N 3.33Å; A207-Q209 PolarHBondContact O-N 3.32Å; Q209-I211 VanDerWaalsContact C-N 3.34Å; Q209-I211 PolarHBondContact O-N 3.15Å; Q209-R212 PolarHBondContact O-N 2.96Å; Q209-Q213 HydrophobicContact CG-CG 4.19Å; Q209-Q213 VanDerWaalsContact O-CB 3.31Å; Q209-Q213 WeakPolarHBondContact O-CB 3.5Å; Q209-Q213 VanDerWaalsContact O-CG 3.29Å; Q209-Q213 WeakPolarHBondContact O-CG 3.28Å; Q209-Q213 PolarHBondContact O-N 3.49Å
210L94.6Very high93.1Very high47 Ų4763.5 Ų63.525%0.24630%0.299CS..Hα-helixtrans-60.3-42.9176.8-73.3171.9000111.8F157 T203 N206 A207 N214F157-L210 HydrophobicContact CE1-CB 4.36Å; T203-L210 HydrophobicContact CG2-CD1 3.82Å; N206-L210 HydrophobicContact CB-CD1 4.18Å; N206-L210 HydrophobicContact CB-CG 4.19Å; N206-L210 WeakPolarHBondContact O-CG 3.42Å; N206-L210 PolarHBondContact O-N 3.21Å; A207-L210 PolarHBondContact O-N 3.11Å; L210-N214 VanDerWaalsContact O-CB 3.26Å; L210-N214 WeakPolarHBondContact O-CB 3.36Å; L210-N214 PolarHBondContact O-N 3.3Å; L210-N214 PolarHBondContact O-ND2 3.28Å
211I95.4Very high93.1Very high7 Ų760.8 Ų60.84%0.03629%0.285CS..Hα-helixtrans-63.3-50.3176-66-58000110.7F157 L165 M188 A191 A192 L195 A207 E208 Q209 Q213 N214 I215F157-I211 HydrophobicContact CE1-CD1 4Å; F157-I211 HydrophobicContact CZ-CD1 4.05Å; L165-I211 HydrophobicContact CD1-CD1 4.05Å; L165-I211 HydrophobicContact CD2-CD1 4.09Å; M188-I211 HydrophobicContact SD-CG2 3.92Å; A191-I211 HydrophobicContact CB-CD1 3.74Å; A191-I211 HydrophobicContact CB-CG1 4.34Å; A192-I211 HydrophobicContact CB-CG1 4.45Å; L195-I211 HydrophobicContact CD1-CD1 3.67Å; L195-I211 HydrophobicContact CD1-CG1 4.02Å; A207-I211 WeakPolarHBondContact O-CG1 3.49Å; A207-I211 PolarHBondContact O-N 3.3Å; E208-I211 PolarHBondContact O-N 2.82Å; Q209-I211 VanDerWaalsContact C-N 3.34Å; Q209-I211 PolarHBondContact O-N 3.15Å; I211-Q213 VanDerWaalsContact C-N 3.33Å; I211-Q213 PolarHBondContact O-N 3.01Å; I211-N214 PolarHBondContact O-N 2.85Å; I211-I215 HydrophobicContact CD1-CD1 3.74Å; I211-I215 HydrophobicContact CG2-CD1 4.2Å; I211-I215 WeakPolarHBondContact O-CB 3.31Å; I211-I215 PolarHBondContact O-N 3.14Å
212R93.5Very high93.4Very high190 Ų19055.9 Ų55.972%0.71726%0.259SS*.Hα-helixtrans-64.1-34.8-178-71.3177.3-170-155.69.9113.6E208 Q209E208-R212 WeakPolarHBondContact O-CB 3.46Å; E208-R212 VanDerWaalsContact O-CG 3.27Å; E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 3.3Å; E208-R212 IonicContact OE2-NH2 3.8Å; E208-R212 PolarHBondContact OE2-NH2 3.4Å; Q209-R212 PolarHBondContact O-N 2.96Å
213Q94Very high93.5Very high109 Ų10954.6 Ų54.651%0.50925%0.249SC..Hα-helixtrans-82.5-29.2-177.8-72.4-178.1-27.900113Q209 I211 V264Q209-Q213 HydrophobicContact CG-CG 4.19Å; Q209-Q213 VanDerWaalsContact O-CB 3.31Å; Q209-Q213 WeakPolarHBondContact O-CB 3.5Å; Q209-Q213 VanDerWaalsContact O-CG 3.29Å; Q209-Q213 WeakPolarHBondContact O-CG 3.28Å; Q209-Q213 PolarHBondContact O-N 3.49Å; I211-Q213 VanDerWaalsContact C-N 3.33Å; I211-Q213 PolarHBondContact O-N 3.01Å; Q213-V264 WeakPolarHBondContact O-CG2 3.42Å
214N94.6Very high93.4Very high26 Ų2653.9 Ų53.914%0.13925%0.245CC..Hα-helixtrans-107.4-23.6-172.9-62.4-56.8000113.9K156 F157 L210 I211 E263 V264K156-N214 HydrophobicContact CB-CB 3.99Å; F157-N214 HydrophobicContact CD2-CB 4.46Å; F157-N214 HydrophobicContact CE2-CB 3.63Å; F157-N214 HydrophobicContact CZ-CB 3.71Å; L210-N214 VanDerWaalsContact O-CB 3.26Å; L210-N214 WeakPolarHBondContact O-CB 3.36Å; L210-N214 PolarHBondContact O-N 3.3Å; L210-N214 PolarHBondContact O-ND2 3.28Å; I211-N214 PolarHBondContact O-N 2.85Å; N214-E263 CarbonylContact O-C 3.6Å; N214-E263 WeakPolarHBondContact O-CA 3.45Å; N214-V264 PolarHBondContact O-N 2.88Å
215I94.3Very high93.1Very high7 Ų755.4 Ų55.44%0.03626%0.262CS..EExtended strand (participates in β ladder)trans-103.8113.3178.9-53.3-173.3000109.8F157 M188 I211 I218 Y261F157-I215 HydrophobicContact CE2-CD1 4.45Å; F157-I215 HydrophobicContact CE2-CG1 4.03Å; F157-I215 HydrophobicContact CZ-CD1 4.09Å; F157-I215 HydrophobicContact CZ-CG1 3.85Å; M188-I215 HydrophobicContact CE-CB 4.19Å; M188-I215 HydrophobicContact CE-CG2 3.64Å; M188-I215 HydrophobicContact SD-CB 4.48Å; M188-I215 HydrophobicContact SD-CG2 4.09Å; I211-I215 HydrophobicContact CD1-CD1 3.74Å; I211-I215 HydrophobicContact CG2-CD1 4.2Å; I211-I215 WeakPolarHBondContact O-CB 3.31Å; I211-I215 PolarHBondContact O-N 3.14Å; I215-I218 HydrophobicContact CG2-CG1 4.37Å; I215-Y261 HydrophobicContact CD1-CD1 3.69Å; I215-Y261 HydrophobicContact CD1-CE1 3.98Å; I215-Y261 HydrophobicContact CD1-CG 4.01Å; I215-Y261 HydrophobicContact CG2-CD1 3.83Å; I215-Y261 HydrophobicContact CG2-CG 4.48Å
216Q91.6Very high92.7Very high133 Ų13354.5 Ų54.562%0.62126%0.264SS*.EExtended strand (participates in β ladder)trans-83.2-48.6179-173.7176.3000112.1H262 V264Q216-H262 PolarHBondContact N-O 2.99Å; Q216-V264 HydrophobicContact CB-CG2 3.84Å
217E91.4Very high92.5Very high87 Ų8754.7 Ų54.741%0.40726%0.263SS..EExtended strand (participates in β ladder)trans-150.3157.5-175.4-172.7-179.2-177.500110.2K184 H262K184-E217 IonicContact NZ-OE1 3.51Å; E217-H262 HydrophobicContact CB-CB 4.37Å; E217-H262 PolarHBondContact O-N 3.45Å
218I94.3Very high92.3Very high4 Ų455.6 Ų55.62%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-115.2124169.7-51.1-174.7000109.4K184 L187 M188 I215 I220 Y260 Y261K184-I218 WeakPolarHBondContact CE-O 3.29Å; K184-I218 HydrophobicContact CG-CB 4.32Å; L187-I218 HydrophobicContact CB-CD1 3.58Å; L187-I218 HydrophobicContact CD1-CD1 4.47Å; L187-I218 HydrophobicContact CD1-CG2 3.69Å; M188-I218 HydrophobicContact CE-CD1 4.37Å; M188-I218 HydrophobicContact CE-CG1 4.25Å; M188-I218 HydrophobicContact CG-CD1 3.66Å; M188-I218 HydrophobicContact CG-CG1 4.46Å; M188-I218 HydrophobicContact SD-CD1 3.94Å; M188-I218 HydrophobicContact SD-CG1 4.42Å; I215-I218 HydrophobicContact CG2-CG1 4.37Å; I218-I220 HydrophobicContact CG2-CD1 4.06Å; I218-Y260 WeakPolarHBondContact CA-O 3.31Å; I218-Y261 HydrophobicContact CD1-CD1 3.93Å; I218-Y261 HydrophobicContact CD1-CE1 3.55Å; I218-Y261 HydrophobicContact CG1-CD1 3.81Å; I218-Y261 HydrophobicContact CG1-CE1 3.98Å
219T93.4Very high92.2Very high3 Ų351.4 Ų51.42%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-88.5136168.4-740000110.3N232 Y259 Y260 H262T219-N232 VanDerWaalsContact CA-OD1 3.24Å; T219-N232 WeakPolarHBondContact CA-OD1 3.3Å; T219-N232 WeakPolarHBondContact CG2-ND2 3.41Å; T219-N232 WeakPolarHBondContact CG2-OD1 3.33Å; T219-N232 PolarHBondContact OG1-ND2 2.91Å; T219-Y259 CarbonylContact O-C 3.47Å; T219-Y259 VanDerWaalsContact O-CA 3.26Å; T219-Y259 WeakPolarHBondContact O-CA 3.47Å; T219-Y260 PolarHBondContact N-O 3.05Å; T219-Y260 PolarHBondContact O-N 3.3Å; T219-H262 PolarHBondContact OG1-CD2 3.5Å; T219-H262 PolarHBondContact OG1-NE2 3.15Å
220I95.3Very high92.1Very high0 Ų048.1 Ų48.10%024%0.237CC..EExtended strand (participates in β ladder)trans-114.2134.5171.5-59.1-58.3000108.8L146 I180 L183 K184 L187 I218 L231 N232 F257 Y258L146-I220 HydrophobicContact CD1-CD1 4.3Å; I180-I220 HydrophobicContact CD1-CG2 4.46Å; I180-I220 HydrophobicContact CG2-CB 4.11Å; I180-I220 HydrophobicContact CG2-CG1 4.25Å; I180-I220 HydrophobicContact CG2-CG2 4.47Å; L183-I220 HydrophobicContact CB-CD1 4.44Å; L183-I220 HydrophobicContact CB-CG1 4.4Å; L183-I220 HydrophobicContact CD1-CG2 4.25Å; K184-I220 HydrophobicContact CG-CG1 3.95Å; L187-I220 HydrophobicContact CD1-CD1 3.62Å; I218-I220 HydrophobicContact CG2-CD1 4.06Å; I220-L231 HydrophobicContact CG2-CD1 4.22Å; I220-L231 PolarHBondContact O-N 3.42Å; I220-N232 PolarHBondContact N-OD1 3.48Å; I220-N232 VanDerWaalsContact N-OD1 3.14Å; I220-F257 HydrophobicContact CG2-CD1 4.12Å; I220-Y258 CarbonylContact C-O 3.56Å; I220-Y258 WeakPolarHBondContact CA-O 3.48Å
221C94.5Very high92.1Very high9 Ų945.9 Ų45.96%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-125.1147.1171.3-57.50000110.4L228 I229 F257 Y258C221-L228 HydrophobicContact CB-CB 4Å; C221-L228 HydrophobicContact CB-CD1 4.43Å; C221-I229 CarbonylContact C-O 3.51Å; C221-I229 WeakPolarHBondContact CA-O 3.49Å; C221-F257 CarbonylContact O-C 3.59Å; C221-F257 WeakPolarHBondContact O-CA 3.32Å; C221-Y258 PolarHBondContact N-O 3.31Å; C221-Y258 PolarHBondContact O-N 2.97Å
222A95.1Very high91.6Very high0 Ų046.7 Ų46.70%023%0.23CC..EExtended strand (participates in β ladder)trans-99.5140.416700000110L228 I229 L231 L251 F257A222-L228 WeakPolarHBondContact O-CA 3.23Å; A222-I229 PolarHBondContact N-O 3.21Å; A222-I229 PolarHBondContact O-N 2.84Å; A222-L231 HydrophobicContact CB-CD1 4.03Å; A222-L231 HydrophobicContact CB-CG 4.47Å; A222-L251 HydrophobicContact CB-CD1 4Å; A222-L251 HydrophobicContact CB-CD2 4.44Å; A222-F257 HydrophobicContact CB-CD1 4.02Å; A222-F257 HydrophobicContact CB-CE1 3.91Å
223R93.6Very high91.3Very high83 Ų8343.2 Ų43.231%0.31324%0.235SC..EExtended strand (participates in β ladder)trans-81.9120.6173.3-174.9-176.5-175.8159.34.6110.8G225 E227 L228 L251 Q256 Y258R223-G225 PolarHBondContact NE-O 2.94Å; R223-E227 WeakPolarHBondContact CA-O 3.22Å; R223-L228 HydrophobicContact CB-CD2 3.95Å; R223-L228 HydrophobicContact CG-CD2 4.3Å; R223-L251 WeakPolarHBondContact O-CD1 3.2Å; R223-Q256 HydrophobicContact CB-CB 4.05Å; R223-Q256 PolarHBondContact N-O 3.45Å; R223-Y258 HydrophobicContact CB-CD2 4.37Å; R223-Y258 HydrophobicContact CB-CE2 3.95Å; R223-Y258 HydrophobicContact CG-CE2 4.45Å
224A90.9Very high91.4Very high4 Ų439.6 Ų39.63%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-122.6106.3173.800000108.5N226 E227 I229 S249 G250 L251A224-N226 PolarHBondContact O-N 3.04Å; A224-N226 VanDerWaalsContact O-N 3.08Å; A224-E227 PolarHBondContact N-O 2.95Å; A224-E227 PolarHBondContact O-N 2.62Å; A224-I229 HydrophobicContact CB-CD1 3.54Å; A224-I229 HydrophobicContact CB-CG1 4.07Å; A224-S249 WeakPolarHBondContact CB-O 3.41Å; A224-G250 CarbonylContact C-O 3.58Å; A224-G250 WeakPolarHBondContact CA-O 3.35Å; A224-L251 HydrophobicContact CB-CB 4.41Å
225G86Confident91.4Very high39 Ų3941.1 Ų41.140%0.40223%0.227SC..THydrogen-bonded Turntrans52.6-114.1-169.700000112.8R223 G250R223-G225 PolarHBondContact NE-O 2.94Å; G225-G250 PolarHBondContact N-O 3.38Å
226N84Confident91.5Very high129 Ų12946.3 Ų46.369%0.6926%0.263SS*.THydrogen-bonded Turntrans-99.117.4178.7-68.6-13.7000112.9A224 L276A224-N226 PolarHBondContact O-N 3.04Å; A224-N226 VanDerWaalsContact O-N 3.08Å; N226-L276 VanDerWaalsContact C-CD1 3.44Å; N226-L276 WeakPolarHBondContact O-CB 3.29Å; N226-L276 VanDerWaalsContact O-CD1 3.26Å; N226-L276 WeakPolarHBondContact O-CD1 3.24Å
227E86.3Confident91.8Very high63 Ų6341.6 Ų41.629%0.29424%0.242SC..EExtended strand (participates in β ladder)trans-127.2159.6-178.8-65.1-174.8-179.400111.9R223 A224R223-E227 WeakPolarHBondContact CA-O 3.22Å; A224-E227 PolarHBondContact N-O 2.95Å; A224-E227 PolarHBondContact O-N 2.62Å
228L90Very high92.1Very high22 Ų2239.2 Ų39.212%0.11523%0.232CC..EExtended strand (participates in β ladder)trans-113.5113171.5-68.5-169.7000110.1Y149 C221 A222 R223 Y258 P275Y149-L228 HydrophobicContact CD2-CD1 3.98Å; Y149-L228 HydrophobicContact CE2-CD1 3.54Å; C221-L228 HydrophobicContact CB-CB 4Å; C221-L228 HydrophobicContact CB-CD1 4.43Å; A222-L228 WeakPolarHBondContact O-CA 3.23Å; R223-L228 HydrophobicContact CB-CD2 3.95Å; R223-L228 HydrophobicContact CG-CD2 4.3Å; L228-Y258 HydrophobicContact CD1-CD2 4.3Å; L228-Y258 HydrophobicContact CD1-CG 4.09Å; L228-Y258 HydrophobicContact CD2-CD2 3.45Å; L228-Y258 VanDerWaalsContact CD2-CD2 3.45Å; L228-Y258 HydrophobicContact CD2-CE2 3.8Å; L228-Y258 HydrophobicContact CD2-CG 4.07Å; L228-P275 VanDerWaalsContact CD1-CD 3.42Å; L228-P275 HydrophobicContact CD1-CG 3.74Å
229I90.5Very high92.2Very high12 Ų1239 Ų396%0.06223%0.231CC..EExtended strand (participates in β ladder)trans-87.9115.1176.9-56.4175.5000108.2C221 A222 A224 L231 F246C221-I229 CarbonylContact C-O 3.51Å; C221-I229 WeakPolarHBondContact CA-O 3.49Å; A222-I229 PolarHBondContact N-O 3.21Å; A222-I229 PolarHBondContact O-N 2.84Å; A224-I229 HydrophobicContact CB-CD1 3.54Å; A224-I229 HydrophobicContact CB-CG1 4.07Å; I229-L231 HydrophobicContact CG2-CD2 4.28Å; I229-F246 HydrophobicContact CD1-CB 4.03Å; I229-F246 HydrophobicContact CD1-CD1 3.67Å; I229-F246 HydrophobicContact CD1-CE1 4.35Å; I229-F246 HydrophobicContact CD1-CG 3.97Å; I229-F246 HydrophobicContact CG2-CD1 4.05Å; I229-F246 HydrophobicContact CG2-CE1 3.71Å; I229-F246 HydrophobicContact CG2-CE2 4.34Å; I229-F246 HydrophobicContact CG2-CG 4.49Å; I229-F246 HydrophobicContact CG2-CZ 3.86Å
230S91.6Very high92.2Very high37 Ų3742.5 Ų42.526%0.25925%0.249SC..EExtended strand (participates in β ladder)trans-73.2132.6177.9-173.50000111.8R271S230-R271 PolarHBondContact OG-NH2 3.34Å
231L93.8Very high92.3Very high0 Ų045.4 Ų45.40%027%0.267CS..  trans-106.413.4-177-52.4-177.6000112.9I180 I220 A222 I229 S233 L234 V242 F246 F257I180-L231 HydrophobicContact CD1-CB 4.3Å; I180-L231 HydrophobicContact CD1-CD1 3.49Å; I180-L231 VanDerWaalsContact CD1-CD1 3.49Å; I180-L231 HydrophobicContact CG1-CB 4.1Å; I180-L231 HydrophobicContact CG1-CD1 4.09Å; I180-L231 HydrophobicContact CG2-CB 4.1Å; I220-L231 HydrophobicContact CG2-CD1 4.22Å; I220-L231 PolarHBondContact O-N 3.42Å; A222-L231 HydrophobicContact CB-CD1 4.03Å; A222-L231 HydrophobicContact CB-CG 4.47Å; I229-L231 HydrophobicContact CG2-CD2 4.28Å; L231-S233 VanDerWaalsContact C-N 3.26Å; L231-S233 PolarHBondContact O-N 3.04Å; L231-L234 HydrophobicContact CD2-CD1 3.92Å; L231-L234 WeakPolarHBondContact O-CB 3.35Å; L231-L234 PolarHBondContact O-N 2.92Å; L231-V242 HydrophobicContact CD1-CG1 3.81Å; L231-V242 HydrophobicContact CD1-CG2 4.3Å; L231-V242 HydrophobicContact CD2-CG1 4.25Å; L231-F246 HydrophobicContact CD2-CD2 4.26Å; L231-F246 HydrophobicContact CD2-CE2 3.68Å; L231-F246 HydrophobicContact CD2-CZ 4.34Å; L231-F257 HydrophobicContact CD1-CD1 4.13Å; L231-F257 HydrophobicContact CD1-CE1 3.82Å
232N84.5Confident92.4Very high24 Ų2445 Ų4513%0.12826%0.264CS..THydrogen-bonded Turntrans-60.4-31.6-171.3-70.3-2.4000114.3T219 I220 L234T219-N232 VanDerWaalsContact CA-OD1 3.24Å; T219-N232 WeakPolarHBondContact CA-OD1 3.3Å; T219-N232 WeakPolarHBondContact CG2-ND2 3.41Å; T219-N232 WeakPolarHBondContact CG2-OD1 3.33Å; T219-N232 PolarHBondContact OG1-ND2 2.91Å; I220-N232 PolarHBondContact N-OD1 3.48Å; I220-N232 VanDerWaalsContact N-OD1 3.14Å; N232-L234 VanDerWaalsContact C-N 3.32Å
233S88.7Confident92.3Very high117 Ų11746.3 Ų46.382%0.81827%0.27SS*.THydrogen-bonded Turntrans-90.76.2177.5-51.70000113.1L231L231-S233 VanDerWaalsContact C-N 3.26Å; L231-S233 PolarHBondContact O-N 3.04Å
234L94.6Very high92.3Very high33 Ų3346.1 Ų46.117%0.17328%0.281CS..  trans-115.932.8-174.3-56.5178.9000111.6L231 N232 S236 M237 F246L231-L234 HydrophobicContact CD2-CD1 3.92Å; L231-L234 WeakPolarHBondContact O-CB 3.35Å; L231-L234 PolarHBondContact O-N 2.92Å; N232-L234 VanDerWaalsContact C-N 3.32Å; L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 3.49Å; L234-M237 HydrophobicContact CB-CB 4.06Å; L234-M237 HydrophobicContact CD1-SD 4.23Å; L234-M237 HydrophobicContact CD2-CE 4.24Å; L234-M237 VanDerWaalsContact O-CB 3.23Å; L234-M237 WeakPolarHBondContact O-CB 3.49Å; L234-M237 PolarHBondContact O-N 2.95Å; L234-F246 HydrophobicContact CD1-CE2 3.73Å; L234-F246 HydrophobicContact CD1-CZ 3.8Å
235D94.7Very high92.5Very high58 Ų5852.2 Ų52.231%0.3130%0.303SS..THydrogen-bonded Turntrans-55.5-36.5-172.2-84.3-13.7000114.2T179 I180 A181 K184 M237T179-D235 WeakPolarHBondContact CB-O 3.45Å; T179-D235 PolarHBondContact OG1-O 3Å; I180-D235 PolarHBondContact N-O 3.36Å; A181-D235 HydrophobicContact CB-CB 4.14Å; A181-D235 VanDerWaalsContact CB-O 3.32Å; A181-D235 WeakPolarHBondContact CB-O 3.47Å; A181-D235 PolarHBondContact N-O 3.2Å; K184-D235 WeakPolarHBondContact CE-OD1 3.43Å; K184-D235 VanDerWaalsContact NZ-CG 3.3Å; K184-D235 IonicContact NZ-OD1 3.11Å; K184-D235 PolarHBondContact NZ-OD1 3.35Å; K184-D235 IonicContact NZ-OD2 3.93Å; K184-D235 PolarHBondContact NZ-OD2 2.82Å; K184-D235 VanDerWaalsContact NZ-OD2 3.11Å; D235-M237 VanDerWaalsContact C-N 3.34Å
236S97.2Very high92.8Very high115 Ų11551.7 Ų51.780%0.80429%0.29SS*.THydrogen-bonded Turntrans-82.9-7.9178-52.60000114T179 L234T179-S236 WeakPolarHBondContact CG2-O 3.36Å; L234-S236 VanDerWaalsContact C-N 3.27Å; L234-S236 PolarHBondContact O-N 3.49Å
237M97.4Very high93.2Very high35 Ų3553 Ų5317%0.17229%0.285CS..  trans-76.4129.1-177.2-168165.8-75.800110.5T179 I180 L234 D235 T241 V242T179-M237 VanDerWaalsContact CA-O 3.23Å; T179-M237 WeakPolarHBondContact CA-O 3.48Å; T179-M237 WeakPolarHBondContact CB-O 3.46Å; I180-M237 PolarHBondContact N-O 3Å; I180-M237 VanDerWaalsContact N-O 3.13Å; L234-M237 HydrophobicContact CB-CB 4.06Å; L234-M237 HydrophobicContact CD1-SD 4.23Å; L234-M237 HydrophobicContact CD2-CE 4.24Å; L234-M237 VanDerWaalsContact O-CB 3.23Å; L234-M237 WeakPolarHBondContact O-CB 3.49Å; L234-M237 PolarHBondContact O-N 2.95Å; D235-M237 VanDerWaalsContact C-N 3.34Å; M237-T241 HydrophobicContact CE-CG2 3.92Å; M237-T241 HydrophobicContact CG-CG2 3.69Å; M237-T241 HydrophobicContact SD-CG2 3.81Å; M237-V242 HydrophobicContact CB-CG2 4.21Å; M237-V242 HydrophobicContact CG-CG2 3.74Å; M237-V242 HydrophobicContact SD-CG2 3.94Å
238N97Very high93.4Very high36 Ų3655.4 Ų55.419%0.19331%0.309CS..BIsolated β-bridgetrans-78.1161.2175.468.332.9000112.4V176 C178 T179 L240 T241 V242V176-N238 WeakPolarHBondContact O-CB 3.39Å; V176-N238 PolarHBondContact O-ND2 3.32Å; C178-N238 CarbonylContact O-C 3.5Å; C178-N238 WeakPolarHBondContact O-CA 3.45Å; C178-N238 WeakPolarHBondContact O-CB 3.24Å; T179-N238 HydrophobicContact CG2-CB 4.35Å; N238-L240 VanDerWaalsContact C-N 3.31Å; N238-L240 PolarHBondContact O-N 3.45Å; N238-L240 PolarHBondContact OD1-N 3.03Å; N238-T241 PolarHBondContact O-N 3.35Å; N238-T241 VanDerWaalsContact O-N 3.12Å; N238-T241 WeakPolarHBondContact OD1-CB 3.34Å; N238-T241 PolarHBondContact OD1-N 2.8Å; N238-T241 PolarHBondContact OD1-OG1 2.71Å; N238-V242 WeakPolarHBondContact O-CG2 3.36Å; N238-V242 PolarHBondContact O-N 3.43Å
239I96.4Very high93.3Very high1 Ų157.2 Ų57.21%0.00532%0.324CS..Hα-helixtrans-61.7-37.7-175-53.9-54000112.3I142 S175 C178 I180 L183 T241 V242 F243 L255 F257I142-I239 HydrophobicContact CD1-CB 3.91Å; I142-I239 HydrophobicContact CD1-CG1 4.49Å; I142-I239 HydrophobicContact CD1-CG2 3.38Å; S175-I239 PolarHBondContact O-N 3.14Å; C178-I239 HydrophobicContact CB-CG1 4.14Å; C178-I239 WeakPolarHBondContact O-CG1 3.38Å; C178-I239 PolarHBondContact O-N 3.34Å; I180-I239 HydrophobicContact CD1-CD1 4.05Å; L183-I239 HydrophobicContact CD1-CD1 3.87Å; L183-I239 HydrophobicContact CG-CD1 4.29Å; I239-T241 VanDerWaalsContact C-N 3.32Å; I239-T241 PolarHBondContact O-N 2.78Å; I239-V242 PolarHBondContact O-N 2.76Å; I239-F243 PolarHBondContact O-N 2.84Å; I239-L255 HydrophobicContact CG2-CD1 3.68Å; I239-F257 HydrophobicContact CD1-CE2 4.49Å; I239-F257 HydrophobicContact CD1-CZ 4.08Å; I239-F257 HydrophobicContact CG2-CE2 4.26Å; I239-F257 HydrophobicContact CG2-CZ 4.01Å
240L95.4Very high93.3Very high76 Ų7658.1 Ų58.140%0.39834%0.335SS..Hα-helixtrans-61.3-42.5175.9-178.462.5000111.4S175 V176 N238 F243 S244S175-L240 WeakPolarHBondContact O-CB 3.41Å; S175-L240 PolarHBondContact O-N 3Å; V176-L240 HydrophobicContact CG1-CB 4.45Å; V176-L240 HydrophobicContact CG1-CD2 3.66Å; N238-L240 VanDerWaalsContact C-N 3.31Å; N238-L240 PolarHBondContact O-N 3.45Å; N238-L240 PolarHBondContact OD1-N 3.03Å; L240-F243 PolarHBondContact O-N 3.21Å; L240-S244 WeakPolarHBondContact O-CB 3.44Å; L240-S244 PolarHBondContact O-N 2.97Å; L240-S244 PolarHBondContact O-OG 3.32Å; L240-S244 VanDerWaalsContact O-OG 3.12Å
241T96.6Very high93.3Very high61 Ų6156.5 Ų56.537%0.37432%0.324SS..Hα-helixtrans-70.4-37.5178.5-53.50000111.1M237 N238 I239 F243 S244 R245M237-T241 HydrophobicContact CE-CG2 3.92Å; M237-T241 HydrophobicContact CG-CG2 3.69Å; M237-T241 HydrophobicContact SD-CG2 3.81Å; N238-T241 PolarHBondContact O-N 3.35Å; N238-T241 VanDerWaalsContact O-N 3.12Å; N238-T241 WeakPolarHBondContact OD1-CB 3.34Å; N238-T241 PolarHBondContact OD1-N 2.8Å; N238-T241 PolarHBondContact OD1-OG1 2.71Å; I239-T241 VanDerWaalsContact C-N 3.32Å; I239-T241 PolarHBondContact O-N 2.78Å; T241-F243 VanDerWaalsContact C-N 3.34Å; T241-S244 PolarHBondContact O-N 3.4Å; T241-R245 WeakPolarHBondContact O-CB 3.5Å; T241-R245 PolarHBondContact O-N 3.38Å
242V95.5Very high93Very high0 Ų061 Ų610%035%0.352CS..Hα-helixtrans-58.4-48.4171.6172.40000110.1I180 L231 M237 N238 I239 R245 F246 L251 F257I180-V242 HydrophobicContact CD1-CG2 4.09Å; I180-V242 HydrophobicContact CG1-CG2 4.18Å; L231-V242 HydrophobicContact CD1-CG1 3.81Å; L231-V242 HydrophobicContact CD1-CG2 4.3Å; L231-V242 HydrophobicContact CD2-CG1 4.25Å; M237-V242 HydrophobicContact CB-CG2 4.21Å; M237-V242 HydrophobicContact CG-CG2 3.74Å; M237-V242 HydrophobicContact SD-CG2 3.94Å; N238-V242 WeakPolarHBondContact O-CG2 3.36Å; N238-V242 PolarHBondContact O-N 3.43Å; I239-V242 PolarHBondContact O-N 2.76Å; V242-R245 PolarHBondContact O-N 3.31Å; V242-F246 HydrophobicContact CG1-CD2 4.04Å; V242-F246 WeakPolarHBondContact O-CD2 3.43Å; V242-F246 PolarHBondContact O-N 3.27Å; V242-L251 HydrophobicContact CG1-CD2 4.15Å; V242-F257 HydrophobicContact CG1-CE1 4.25Å
243F94.5Very high93.1Very high28 Ų2866 Ų6612%0.12337%0.372CS..Hα-helixtrans-57.9-55.9176.5176.2-108.1000111.4I239 L240 T241 R245 F246 R247 L251 F253 L255I239-F243 PolarHBondContact O-N 2.84Å; L240-F243 PolarHBondContact O-N 3.21Å; T241-F243 VanDerWaalsContact C-N 3.34Å; F243-R245 VanDerWaalsContact C-N 3.28Å; F243-R245 PolarHBondContact O-N 3.04Å; F243-F246 PolarHBondContact O-N 3.48Å; F243-R247 HydrophobicContact CE2-CB 4.47Å; F243-R247 HydrophobicContact CE2-CG 4.39Å; F243-R247 HydrophobicContact CZ-CB 4.43Å; F243-R247 HydrophobicContact CZ-CG 4.1Å; F243-R247 VanDerWaalsContact O-CB 3.29Å; F243-R247 WeakPolarHBondContact O-CB 3.37Å; F243-R247 PolarHBondContact O-N 3.39Å; F243-L251 HydrophobicContact CD2-CD2 4.4Å; F243-L251 HydrophobicContact CD2-CG 4.29Å; F243-F253 HydrophobicContact CD1-CE2 4.15Å; F243-F253 HydrophobicContact CD1-CZ 4.21Å; F243-F253 AromaticContact CD2-CE2 3.92Å; F243-F253 HydrophobicContact CD2-CE2 3.92Å; F243-F253 HydrophobicContact CD2-CZ 4.04Å; F243-F253 AromaticContact CE1-CE2 3.67Å; F243-F253 HydrophobicContact CE1-CE2 3.67Å; F243-F253 HydrophobicContact CE1-CZ 4.19Å; F243-F253 AromaticContact CE2-CD2 3.84Å; F243-F253 HydrophobicContact CE2-CD2 3.84Å; F243-F253 AromaticContact CE2-CE2 3.4Å; F243-F253 HydrophobicContact CE2-CE2 3.4Å; F243-F253 HydrophobicContact CE2-CZ 4.01Å; F243-F253 HydrophobicContact CG-CE2 4.26Å; F243-F253 HydrophobicContact CG-CZ 4.14Å; F243-F253 AromaticContact CZ-CD2 3.9Å; F243-F253 HydrophobicContact CZ-CD2 3.9Å; F243-F253 AromaticContact CZ-CE2 3.26Å; F243-F253 HydrophobicContact CZ-CE2 3.26Å; F243-F253 HydrophobicContact CZ-CZ 4.09Å; F243-L255 HydrophobicContact CD2-CD2 3.86Å
244S94Very high93Very high78 Ų7864.5 Ų64.555%0.54536%0.36SS..Hα-helixtrans-58.5-38.8-179.1-64.10000112.9L240 T241L240-S244 WeakPolarHBondContact O-CB 3.44Å; L240-S244 PolarHBondContact O-N 2.97Å; L240-S244 PolarHBondContact O-OG 3.32Å; L240-S244 VanDerWaalsContact O-OG 3.12Å; T241-S244 PolarHBondContact O-N 3.4Å
245R94.1Very high92.9Very high133 Ų13363 Ų6350%0.50235%0.352SS..Hα-helixtrans-70.1-37.5-179.1-178.1172.5-179.1164.34.1113T241 V242 F243T241-R245 WeakPolarHBondContact O-CB 3.5Å; T241-R245 PolarHBondContact O-N 3.38Å; V242-R245 PolarHBondContact O-N 3.31Å; F243-R245 VanDerWaalsContact C-N 3.28Å; F243-R245 PolarHBondContact O-N 3.04Å
246F93Very high92.9Very high27 Ų2762.7 Ų62.712%0.11835%0.349CS..Hα-helixtrans-1104.9-173.8-62.1-67.6000114.1I229 L231 L234 V242 F243 S248 S249 G250 L251I229-F246 HydrophobicContact CD1-CB 4.03Å; I229-F246 HydrophobicContact CD1-CD1 3.67Å; I229-F246 HydrophobicContact CD1-CE1 4.35Å; I229-F246 HydrophobicContact CD1-CG 3.97Å; I229-F246 HydrophobicContact CG2-CD1 4.05Å; I229-F246 HydrophobicContact CG2-CE1 3.71Å; I229-F246 HydrophobicContact CG2-CE2 4.34Å; I229-F246 HydrophobicContact CG2-CG 4.49Å; I229-F246 HydrophobicContact CG2-CZ 3.86Å; L231-F246 HydrophobicContact CD2-CD2 4.26Å; L231-F246 HydrophobicContact CD2-CE2 3.68Å; L231-F246 HydrophobicContact CD2-CZ 4.34Å; L234-F246 HydrophobicContact CD1-CE2 3.73Å; L234-F246 HydrophobicContact CD1-CZ 3.8Å; V242-F246 HydrophobicContact CG1-CD2 4.04Å; V242-F246 WeakPolarHBondContact O-CD2 3.43Å; V242-F246 PolarHBondContact O-N 3.27Å; F243-F246 PolarHBondContact O-N 3.48Å; F246-S248 VanDerWaalsContact C-N 3.28Å; F246-S248 PolarHBondContact O-N 2.82Å; F246-S249 CarbonylContact O-C 3.57Å; F246-S249 WeakPolarHBondContact O-CA 3.36Å; F246-S249 WeakPolarHBondContact O-CB 3.25Å; F246-S249 PolarHBondContact O-N 3.09Å; F246-G250 PolarHBondContact O-N 2.88Å; F246-L251 HydrophobicContact CB-CB 4.13Å; F246-L251 HydrophobicContact CB-CD2 3.92Å; F246-L251 VanDerWaalsContact O-CB 3.29Å; F246-L251 WeakPolarHBondContact O-CB 3.43Å; F246-L251 PolarHBondContact O-N 2.91Å
247R92.6Very high92.9Very high156 Ų15657.3 Ų57.359%0.58931%0.311SS*.G310 helixtrans-56.3-42.8173.9-178-178.9179.5173.93.3111.7F243 S249 G250F243-R247 HydrophobicContact CE2-CB 4.47Å; F243-R247 HydrophobicContact CE2-CG 4.39Å; F243-R247 HydrophobicContact CZ-CB 4.43Å; F243-R247 HydrophobicContact CZ-CG 4.1Å; F243-R247 VanDerWaalsContact O-CB 3.29Å; F243-R247 WeakPolarHBondContact O-CB 3.37Å; F243-R247 PolarHBondContact O-N 3.39Å; R247-S249 PolarHBondContact O-N 3Å; R247-G250 PolarHBondContact O-N 2.84Å; R247-G250 VanDerWaalsContact O-N 3.1Å
248S89.9Confident92.8Very high114 Ų11456.9 Ų56.980%0.79731%0.308SS*.G310 helixtrans-67.1-19.6176.153.10000113.3F246 G250F246-S248 VanDerWaalsContact C-N 3.28Å; F246-S248 PolarHBondContact O-N 2.82Å; S248-G250 VanDerWaalsContact C-N 3.33Å
249S88.3Confident92.7Very high61 Ų6155.2 Ų55.243%0.42730%0.299SS..G310 helixtrans-87.72.8174-50.60000113.3A224 F246 R247A224-S249 WeakPolarHBondContact CB-O 3.41Å; F246-S249 CarbonylContact O-C 3.57Å; F246-S249 WeakPolarHBondContact O-CA 3.36Å; F246-S249 WeakPolarHBondContact O-CB 3.25Å; F246-S249 PolarHBondContact O-N 3.09Å; R247-S249 PolarHBondContact O-N 3Å
250G89.4Confident92.6Very high30 Ų3056.8 Ų56.831%0.30931%0.305SS..THydrogen-bonded Turntrans96.516.3177.900000115.2A224 G225 F246 R247 S248 T252A224-G250 CarbonylContact C-O 3.58Å; A224-G250 WeakPolarHBondContact CA-O 3.35Å; G225-G250 PolarHBondContact N-O 3.38Å; F246-G250 PolarHBondContact O-N 2.88Å; R247-G250 PolarHBondContact O-N 2.84Å; R247-G250 VanDerWaalsContact O-N 3.1Å; S248-G250 VanDerWaalsContact C-N 3.33Å; G250-T252 PolarHBondContact O-N 3.03Å
251L90.9Very high92.6Very high4 Ų453.3 Ų53.32%0.02129%0.286CS..  trans-70.8114.8170.4-172.759.7000109.6A222 R223 A224 V242 F243 F246 L255A222-L251 HydrophobicContact CB-CD1 4Å; A222-L251 HydrophobicContact CB-CD2 4.44Å; R223-L251 WeakPolarHBondContact O-CD1 3.2Å; A224-L251 HydrophobicContact CB-CB 4.41Å; V242-L251 HydrophobicContact CG1-CD2 4.15Å; F243-L251 HydrophobicContact CD2-CD2 4.4Å; F243-L251 HydrophobicContact CD2-CG 4.29Å; F246-L251 HydrophobicContact CB-CB 4.13Å; F246-L251 HydrophobicContact CB-CD2 3.92Å; F246-L251 VanDerWaalsContact O-CB 3.29Å; F246-L251 WeakPolarHBondContact O-CB 3.43Å; F246-L251 PolarHBondContact O-N 2.91Å; L251-L255 HydrophobicContact CD1-CD2 3.95Å; L251-L255 HydrophobicContact CD2-CD2 4.22Å; L251-L255 HydrophobicContact CG-CD2 3.85Å
252T88.2Confident92.3Very high94 Ų9452.2 Ų52.258%0.57728%0.277SS*.  trans-118167.2-176.958.40000112.2G250 P254G250-T252 PolarHBondContact O-N 3.03Å; T252-P254 CarbonylContact O-C 3.58Å
253F86.6Confident92.1Very high128 Ų12852.6 Ų52.656%0.56128%0.279SS*.SBendtrans-89.1150.3169.2-72.9-78.9000111.6F243 L255F243-F253 HydrophobicContact CD1-CE2 4.15Å; F243-F253 HydrophobicContact CD1-CZ 4.21Å; F243-F253 AromaticContact CD2-CE2 3.92Å; F243-F253 HydrophobicContact CD2-CE2 3.92Å; F243-F253 HydrophobicContact CD2-CZ 4.04Å; F243-F253 AromaticContact CE1-CE2 3.67Å; F243-F253 HydrophobicContact CE1-CE2 3.67Å; F243-F253 HydrophobicContact CE1-CZ 4.19Å; F243-F253 AromaticContact CE2-CD2 3.84Å; F243-F253 HydrophobicContact CE2-CD2 3.84Å; F243-F253 AromaticContact CE2-CE2 3.4Å; F243-F253 HydrophobicContact CE2-CE2 3.4Å; F243-F253 HydrophobicContact CE2-CZ 4.01Å; F243-F253 HydrophobicContact CG-CE2 4.26Å; F243-F253 HydrophobicContact CG-CZ 4.14Å; F243-F253 AromaticContact CZ-CD2 3.9Å; F243-F253 HydrophobicContact CZ-CD2 3.9Å; F243-F253 AromaticContact CZ-CE2 3.26Å; F243-F253 HydrophobicContact CZ-CE2 3.26Å; F243-F253 HydrophobicContact CZ-CZ 4.09Å; F253-L255 HydrophobicContact CD1-CD2 4.4Å; F253-L255 HydrophobicContact CD1-CG 3.84Å; F253-L255 HydrophobicContact CE1-CD1 3.91Å; F253-L255 HydrophobicContact CE1-CD2 4.27Å; F253-L255 HydrophobicContact CE1-CG 3.67Å; F253-L255 HydrophobicContact CZ-CG 4.47Å
254P87.2Confident91.8Very high86 Ų8654.2 Ų54.256%0.55829%0.291SS*.SBendcis-68.3140.4-7.129.6-34.7000111.3T252 Q256T252-P254 CarbonylContact O-C 3.58Å; P254-Q256 PolarHBondContact O-N 3.26Å
255L92.9Very high91.1Very high3 Ų353.3 Ų53.32%0.01629%0.294CS..PPolyproline II helixtrans-61.5132.6-178.9-65.3175.7000110.1I142 F144 H145 I239 F243 L251 F253 F257I142-L255 HydrophobicContact CD1-CD1 4.37Å; F144-L255 HydrophobicContact CB-CB 3.84Å; F144-L255 WeakPolarHBondContact CB-O 3.34Å; H145-L255 PolarHBondContact N-O 2.9Å; H145-L255 VanDerWaalsContact N-O 3.13Å; I239-L255 HydrophobicContact CG2-CD1 3.68Å; F243-L255 HydrophobicContact CD2-CD2 3.86Å; L251-L255 HydrophobicContact CD1-CD2 3.95Å; L251-L255 HydrophobicContact CD2-CD2 4.22Å; L251-L255 HydrophobicContact CG-CD2 3.85Å; F253-L255 HydrophobicContact CD1-CD2 4.4Å; F253-L255 HydrophobicContact CD1-CG 3.84Å; F253-L255 HydrophobicContact CE1-CD1 3.91Å; F253-L255 HydrophobicContact CE1-CD2 4.27Å; F253-L255 HydrophobicContact CE1-CG 3.67Å; F253-L255 HydrophobicContact CZ-CG 4.47Å; L255-F257 HydrophobicContact CB-CE2 3.93Å; L255-F257 HydrophobicContact CD1-CE2 4.22Å; L255-F257 HydrophobicContact CD1-CZ 4.38Å
256Q94.3Very high89.9Confident51 Ų5149.3 Ų49.324%0.23828%0.284CS..EExtended strand (participates in β ladder)trans-119.9117.5174.3-65.6-173.8-13.400109.1R223 P254 Y258R223-Q256 HydrophobicContact CB-CB 4.05Å; R223-Q256 PolarHBondContact N-O 3.45Å; P254-Q256 PolarHBondContact O-N 3.26Å; Q256-Y258 HydrophobicContact CB-CE2 4.38Å
257F96.2Very high88.1Confident1 Ų153.7 Ų53.70%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-104.9149.3170.1-64.5-82.6000109.8F144 H145 L146 L147 L183 I220 C221 A222 L231 I239 V242 L255F144-F257 HydrophobicContact CB-CD2 4.42Å; F144-F257 HydrophobicContact CB-CE2 4.39Å; F144-F257 HydrophobicContact CD1-CE2 4.49Å; F144-F257 AromaticContact CD2-CD2 3.49Å; F144-F257 HydrophobicContact CD2-CD2 3.49Å; F144-F257 VanDerWaalsContact CD2-CD2 3.49Å; F144-F257 AromaticContact CD2-CE2 3.84Å; F144-F257 HydrophobicContact CD2-CE2 3.84Å; F144-F257 AromaticContact CE2-CD2 3.92Å; F144-F257 HydrophobicContact CE2-CD2 3.92Å; F144-F257 HydrophobicContact CE2-CE2 4.22Å; F144-F257 HydrophobicContact CG-CD2 4.05Å; F144-F257 AromaticContact CG-CE2 3.99Å; F144-F257 HydrophobicContact CG-CE2 3.99Å; H145-F257 PolarHBondContact O-N 3.3Å; L146-F257 CarbonylContact C-O 3.57Å; L146-F257 WeakPolarHBondContact CA-O 3.5Å; L146-F257 HydrophobicContact CD1-CB 3.54Å; L147-F257 PolarHBondContact N-O 3.07Å; L183-F257 HydrophobicContact CD1-CD1 4.5Å; L183-F257 HydrophobicContact CD1-CG 4.47Å; I220-F257 HydrophobicContact CG2-CD1 4.12Å; C221-F257 CarbonylContact O-C 3.59Å; C221-F257 WeakPolarHBondContact O-CA 3.32Å; A222-F257 HydrophobicContact CB-CD1 4.02Å; A222-F257 HydrophobicContact CB-CE1 3.91Å; L231-F257 HydrophobicContact CD1-CD1 4.13Å; L231-F257 HydrophobicContact CD1-CE1 3.82Å; I239-F257 HydrophobicContact CD1-CE2 4.49Å; I239-F257 HydrophobicContact CD1-CZ 4.08Å; I239-F257 HydrophobicContact CG2-CE2 4.26Å; I239-F257 HydrophobicContact CG2-CZ 4.01Å; V242-F257 HydrophobicContact CG1-CE1 4.25Å; L255-F257 HydrophobicContact CB-CE2 3.93Å; L255-F257 HydrophobicContact CD1-CE2 4.22Å; L255-F257 HydrophobicContact CD1-CZ 4.38Å
258Y96Very high86.1Confident27 Ų2749.8 Ų49.811%0.10633%0.327CS..EExtended strand (participates in β ladder)trans-117.6142.4173.8-72.5-99.3000109.6L147 P150 I220 C221 R223 L228 Q256L147-Y258 HydrophobicContact CB-CD1 3.99Å; L147-Y258 HydrophobicContact CB-CE1 3.93Å; L147-Y258 HydrophobicContact CD1-CE1 4.17Å; L147-Y258 HydrophobicContact CD1-CE2 4.41Å; L147-Y258 CarbonylContact O-C 3.58Å; L147-Y258 WeakPolarHBondContact O-CA 3.34Å; P150-Y258 HydrophobicContact CG-CE1 4.31Å; I220-Y258 CarbonylContact C-O 3.56Å; I220-Y258 WeakPolarHBondContact CA-O 3.48Å; C221-Y258 PolarHBondContact N-O 3.31Å; C221-Y258 PolarHBondContact O-N 2.97Å; R223-Y258 HydrophobicContact CB-CD2 4.37Å; R223-Y258 HydrophobicContact CB-CE2 3.95Å; R223-Y258 HydrophobicContact CG-CE2 4.45Å; L228-Y258 HydrophobicContact CD1-CD2 4.3Å; L228-Y258 HydrophobicContact CD1-CG 4.09Å; L228-Y258 HydrophobicContact CD2-CD2 3.45Å; L228-Y258 VanDerWaalsContact CD2-CD2 3.45Å; L228-Y258 HydrophobicContact CD2-CE2 3.8Å; L228-Y258 HydrophobicContact CD2-CG 4.07Å; Q256-Y258 HydrophobicContact CB-CE2 4.38Å
259Y95.8Very high84.3Confident1 Ų153.6 Ų53.60%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-122.4148.1175.672.6-89.9000112.2L146 L147 P148 Y149 M152 L165 R167 L187 T219 Y261L146-Y259 HydrophobicContact CD1-CD1 4.16Å; L146-Y259 HydrophobicContact CG-CD1 3.88Å; L147-Y259 VanDerWaalsContact C-CD1 3.43Å; L147-Y259 WeakPolarHBondContact O-CD1 3.47Å; L147-Y259 PolarHBondContact O-N 3.41Å; P148-Y259 HydrophobicContact CB-CE1 4.11Å; P148-Y259 HydrophobicContact CB-CE2 4.44Å; P148-Y259 VanDerWaalsContact N-CE1 3.3Å; Y149-Y259 WeakPolarHBondContact CB-O 3.4Å; Y149-Y259 PolarHBondContact N-O 3.5Å; M152-Y259 HydrophobicContact CE-CD2 4.08Å; M152-Y259 HydrophobicContact CE-CE2 3.51Å; L165-Y259 PolarHBondContact O-OH 3.17Å; R167-Y259 PolarHBondContact N-OH 3.3Å; R167-Y259 VanDerWaalsContact N-OH 3.14Å; R167-Y259 PolarHBondContact O-OH 3.09Å; L187-Y259 HydrophobicContact CD1-CD1 4.28Å; L187-Y259 HydrophobicContact CD1-CD2 4.12Å; L187-Y259 HydrophobicContact CD1-CG 3.68Å; L187-Y259 HydrophobicContact CD2-CD1 4.05Å; L187-Y259 HydrophobicContact CD2-CD2 4.27Å; L187-Y259 HydrophobicContact CD2-CE1 4.23Å; L187-Y259 HydrophobicContact CD2-CE2 4.45Å; L187-Y259 HydrophobicContact CD2-CG 4.06Å; T219-Y259 CarbonylContact O-C 3.47Å; T219-Y259 VanDerWaalsContact O-CA 3.26Å; T219-Y259 WeakPolarHBondContact O-CA 3.47Å; Y259-Y261 HydrophobicContact CD2-CD2 4.33Å; Y259-Y261 HydrophobicContact CD2-CE1 4.48Å; Y259-Y261 AromaticContact CD2-CE2 3.99Å; Y259-Y261 HydrophobicContact CD2-CE2 3.99Å; Y259-Y261 AromaticContact CE2-CD2 3.98Å; Y259-Y261 HydrophobicContact CE2-CD2 3.98Å; Y259-Y261 AromaticContact CE2-CE2 3.4Å; Y259-Y261 HydrophobicContact CE2-CE2 3.4Å; Y259-Y261 AromaticContact CE2-CZ 3.73Å
260Y93.6Very high82.5Confident34 Ų3455.2 Ų55.213%0.13334%0.335CS..EExtended strand (participates in β ladder)trans-134.9128.6174.3-171.2-86.8000110.6Y149 M152 I218 T219 H262 P272Y149-Y260 HydrophobicContact CD1-CD2 4.32Å; Y149-Y260 HydrophobicContact CG-CD2 4.11Å; M152-Y260 HydrophobicContact CB-CD2 4.03Å; M152-Y260 HydrophobicContact CB-CE2 4.02Å; M152-Y260 HydrophobicContact CG-CD2 3.92Å; M152-Y260 HydrophobicContact CG-CE2 3.89Å; M152-Y260 HydrophobicContact SD-CD2 3.95Å; M152-Y260 HydrophobicContact SD-CE2 4.46Å; M152-Y260 HydrophobicContact SD-CG 4.23Å; I218-Y260 WeakPolarHBondContact CA-O 3.31Å; T219-Y260 PolarHBondContact N-O 3.05Å; T219-Y260 PolarHBondContact O-N 3.3Å; Y260-H262 AromaticContact CD1-CE1 3.66Å; Y260-H262 AromaticContact CD1-ND1 3.85Å; Y260-H262 AromaticContact CD1-NE2 3.83Å; Y260-H262 AromaticContact CE1-CE1 3.88Å; Y260-H262 AromaticContact CE1-ND1 3.76Å; Y260-P272 HydrophobicContact CD1-CG 4.27Å; Y260-P272 HydrophobicContact CD2-CB 4.29Å; Y260-P272 HydrophobicContact CD2-CG 3.82Å; Y260-P272 HydrophobicContact CE2-CB 4.2Å; Y260-P272 HydrophobicContact CE2-CG 4.11Å; Y260-P272 HydrophobicContact CG-CG 3.91Å
261Y94.3Very high80.7Confident2 Ų261 Ų611%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-87.8121.6173.7-64.1-61000110.3M152 L154 L165 I215 I218 Y259M152-Y261 HydrophobicContact CE-CD2 4.05Å; M152-Y261 HydrophobicContact CE-CE2 4.47Å; M152-Y261 HydrophobicContact SD-CD2 4.06Å; M152-Y261 PolarHBondContact SD-N 2.76Å; M152-Y261 VanDerWaalsContact SD-N 3.4Å; L154-Y261 HydrophobicContact CD1-CD2 4.05Å; L154-Y261 HydrophobicContact CD2-CD2 4.26Å; L165-Y261 HydrophobicContact CB-CE2 4.23Å; I215-Y261 HydrophobicContact CD1-CD1 3.69Å; I215-Y261 HydrophobicContact CD1-CE1 3.98Å; I215-Y261 HydrophobicContact CD1-CG 4.01Å; I215-Y261 HydrophobicContact CG2-CD1 3.83Å; I215-Y261 HydrophobicContact CG2-CG 4.48Å; I218-Y261 HydrophobicContact CD1-CD1 3.93Å; I218-Y261 HydrophobicContact CD1-CE1 3.55Å; I218-Y261 HydrophobicContact CG1-CD1 3.81Å; I218-Y261 HydrophobicContact CG1-CE1 3.98Å; Y259-Y261 HydrophobicContact CD2-CD2 4.33Å; Y259-Y261 HydrophobicContact CD2-CE1 4.48Å; Y259-Y261 AromaticContact CD2-CE2 3.99Å; Y259-Y261 HydrophobicContact CD2-CE2 3.99Å; Y259-Y261 AromaticContact CE2-CD2 3.98Å; Y259-Y261 HydrophobicContact CE2-CD2 3.98Å; Y259-Y261 AromaticContact CE2-CE2 3.4Å; Y259-Y261 HydrophobicContact CE2-CE2 3.4Å; Y259-Y261 AromaticContact CE2-CZ 3.73Å
262H91.7Very high78.9Confident38 Ų3862 Ų6218%0.17635%0.354CS..EExtended strand (participates in β ladder)trans-86.5115.9172.1-69-76.4000109.7Q216 E217 T219 Y260Q216-H262 PolarHBondContact N-O 2.99Å; E217-H262 HydrophobicContact CB-CB 4.37Å; E217-H262 PolarHBondContact O-N 3.45Å; T219-H262 PolarHBondContact OG1-CD2 3.5Å; T219-H262 PolarHBondContact OG1-NE2 3.15Å; Y260-H262 AromaticContact CD1-CE1 3.66Å; Y260-H262 AromaticContact CD1-ND1 3.85Å; Y260-H262 AromaticContact CD1-NE2 3.83Å; Y260-H262 AromaticContact CE1-CE1 3.88Å; Y260-H262 AromaticContact CE1-ND1 3.76Å
263E90.8Very high77.1Confident9 Ų961.9 Ų61.94%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-80.5136-179.8-66.9-172.7126.200111.6L154 S155 K156 F157 N214 G265 T266L154-E263 VanDerWaalsContact C-OE1 3.32Å; L154-E263 WeakPolarHBondContact CA-OE1 3.2Å; L154-E263 HydrophobicContact CD2-CG 4.18Å; S155-E263 VanDerWaalsContact N-CD 3.33Å; S155-E263 PolarHBondContact N-OE1 3.06Å; S155-E263 PolarHBondContact N-OE2 3.49Å; S155-E263 PolarHBondContact OG-OE2 2.89Å; K156-E263 VanDerWaalsContact CB-OE1 3.23Å; K156-E263 WeakPolarHBondContact CB-OE1 3.43Å; K156-E263 HydrophobicContact CG-CB 4.17Å; K156-E263 HydrophobicContact CG-CG 4.37Å; K156-E263 PolarHBondContact N-OE1 2.81Å; F157-E263 WeakPolarHBondContact CD2-OE1 3.07Å; N214-E263 CarbonylContact O-C 3.6Å; N214-E263 WeakPolarHBondContact O-CA 3.45Å; E263-G265 PolarHBondContact O-N 3.06Å; E263-T266 HydrophobicContact CB-CG2 3.75Å; E263-T266 PolarHBondContact O-N 2.8Å; E263-T266 VanDerWaalsContact O-N 3.15Å; E263-T266 PolarHBondContact O-OG1 3.33Å
264V88.8Confident75.3Confident62 Ų6257.1 Ų57.138%0.37634%0.337SS..THydrogen-bonded Turntrans-57.1129.1177.3177.60000110.4Q213 N214 Q216 T266Q213-V264 WeakPolarHBondContact O-CG2 3.42Å; N214-V264 PolarHBondContact O-N 2.88Å; Q216-V264 HydrophobicContact CB-CG2 3.84Å; V264-T266 VanDerWaalsContact C-N 3.31Å; V264-T266 PolarHBondContact O-N 3.01Å
265G79.7Confident73.5Confident59 Ų5955.4 Ų55.461%0.60833%0.326SS*.THydrogen-bonded Turntrans79.85.5177.500000115.1E263 S267E263-G265 PolarHBondContact O-N 3.06Å; G265-S267 VanDerWaalsContact C-N 3.26Å; G265-S267 PolarHBondContact O-N 3.07Å
266T68.1Low71.3Confident49 Ų4958 Ų5830%0.30134%0.34SS..  trans-91.343172.263.80000112E263 V264 G268E263-T266 HydrophobicContact CB-CG2 3.75Å; E263-T266 PolarHBondContact O-N 2.8Å; E263-T266 VanDerWaalsContact O-N 3.15Å; E263-T266 PolarHBondContact O-OG1 3.33Å; V264-T266 VanDerWaalsContact C-N 3.31Å; V264-T266 PolarHBondContact O-N 3.01Å; T266-G268 PolarHBondContact O-N 3.48Å
267S54.9Low68.7Low118 Ų11864 Ų6483%0.82537%0.368SS*.THydrogen-bonded Turntrans-67.17.3-171.3-47.70000116.1G265G265-S267 VanDerWaalsContact C-N 3.26Å; G265-S267 PolarHBondContact O-N 3.07Å
268G50.5Low66Low75 Ų7568.9 Ų68.977%0.77340%0.398SS*.THydrogen-bonded Turntrans-113.1-12.3-173.900000116T266 S270T266-G268 PolarHBondContact O-N 3.48Å; G268-S270 PolarHBondContact O-N 3.48Å
269R52.5Low63.2Low194 Ų19474.6 Ų74.673%0.73243%0.427SS*.SBendtrans-90.496.5170.2-70.1-171.8-177-148.50.3106.7R271R269-R271 PolarHBondContact O-N 3.28Å
270S50.9Low60.3Low95 Ų9577.7 Ų77.766%0.66446%0.459SS*.  trans-29.2128.8164.251.80000109.8G268 P272G268-S270 PolarHBondContact O-N 3.48Å; S270-P272 VanDerWaalsContact O-N 3.16Å
271R52.1Low57.7Low152 Ų15281.4 Ų81.457%0.57448%0.48SS*.SBendtrans-21.9120.8166.4-178-175.6-168.9175.14.5109S230 R269S230-R271 PolarHBondContact OG-NH2 3.34Å; R269-R271 PolarHBondContact O-N 3.28Å
272P52.1Low54.6Low23 Ų2384.6 Ų84.615%0.14951%0.514CS..PPolyproline II helixtrans-51.5123.6-161.922.1-34.7000108.7Y149 Y260 S270 S274Y149-P272 HydrophobicContact CD1-CB 4.09Å; Y149-P272 HydrophobicContact CD1-CG 4.45Å; Y149-P272 HydrophobicContact CD2-CG 4.48Å; Y149-P272 HydrophobicContact CE1-CB 3.53Å; Y149-P272 HydrophobicContact CE1-CG 4.14Å; Y149-P272 HydrophobicContact CE2-CB 4.36Å; Y149-P272 HydrophobicContact CE2-CG 4.12Å; Y149-P272 PolarHBondContact OH-O 3Å; Y149-P272 VanDerWaalsContact OH-O 3.07Å; Y260-P272 HydrophobicContact CD1-CG 4.27Å; Y260-P272 HydrophobicContact CD2-CB 4.29Å; Y260-P272 HydrophobicContact CD2-CG 3.82Å; Y260-P272 HydrophobicContact CE2-CB 4.2Å; Y260-P272 HydrophobicContact CE2-CG 4.11Å; Y260-P272 HydrophobicContact CG-CG 3.91Å; S270-P272 VanDerWaalsContact O-N 3.16Å; P272-S274 PolarHBondContact O-N 2.86Å
273P51.2Low51.6Low92 Ų9292.7 Ų92.760%0.59755%0.549SS*.PPolyproline II helixtrans-56138.4174.523.5-31.9000107.2Y149 P275Y149-P273 PolarHBondContact OH-O 3.3Å; P273-P275 VanDerWaalsContact O-N 3.16Å
274S48.1Very low48.8Very low28 Ų28105.7 Ų105.720%0.19661%0.605CS.*PPolyproline II helixtrans-47.8129.1-178.559.70000108.3Y149 P272 L276 V278Y149-S274 WeakPolarHBondContact OH-CA 3.19Å; Y149-S274 PolarHBondContact OH-N 3.1Å; P272-S274 PolarHBondContact O-N 2.86Å; S274-L276 CarbonylContact C-O 3.48Å; S274-L276 WeakPolarHBondContact CB-O 3.43Å; S274-L276 CarbonylContact O-C 3.48Å; S274-L276 PolarHBondContact O-N 3.24Å; S274-L276 VanDerWaalsContact O-N 3.08Å; S274-L276 PolarHBondContact OG-O 3.39Å; S274-V278 WeakPolarHBondContact OG-CG2 3.4Å; S274-V278 PolarHBondContact OG-N 3.3Å
275P49.2Very low46.8Very low51 Ų51107.9 Ų107.933%0.33162%0.617SS.*SBendtrans-71.6-7.3-174.419.8-5.7000110.9Y149 P150 L228 P273Y149-P275 HydrophobicContact CD1-CG 4.12Å; Y149-P275 HydrophobicContact CD2-CG 4.48Å; Y149-P275 HydrophobicContact CE1-CB 3.97Å; Y149-P275 HydrophobicContact CE1-CG 3.51Å; Y149-P275 HydrophobicContact CE2-CG 3.95Å; Y149-P275 VanDerWaalsContact CZ-CG 3.46Å; Y149-P275 WeakPolarHBondContact OH-CD 3.34Å; P150-P275 HydrophobicContact CB-CB 3.84Å; P150-P275 HydrophobicContact CB-CG 4.21Å; P150-P275 HydrophobicContact CG-CB 3.86Å; P150-P275 HydrophobicContact CG-CG 3.75Å; L228-P275 VanDerWaalsContact CD1-CD 3.42Å; L228-P275 HydrophobicContact CD1-CG 3.74Å; P273-P275 VanDerWaalsContact O-N 3.16Å
276L46.5Very low45.1Very low56 Ų56110.4 Ų110.429%0.29362%0.617SS.*SBendtrans-112.6119.1169.3-48.7172.1000104.4N226 S274 V278N226-L276 VanDerWaalsContact C-CD1 3.44Å; N226-L276 WeakPolarHBondContact O-CB 3.29Å; N226-L276 VanDerWaalsContact O-CD1 3.26Å; N226-L276 WeakPolarHBondContact O-CD1 3.24Å; S274-L276 CarbonylContact C-O 3.48Å; S274-L276 WeakPolarHBondContact CB-O 3.43Å; S274-L276 CarbonylContact O-C 3.48Å; S274-L276 PolarHBondContact O-N 3.24Å; S274-L276 VanDerWaalsContact O-N 3.08Å; S274-L276 PolarHBondContact OG-O 3.39Å; L276-V278 PolarHBondContact O-N 3.15Å
277E40.4Very low43.8Very low179 Ų179113.8 Ų113.884%0.83664%0.635SS**  trans-33.2126.9-170.4-66.6171.114900114.6M279E277-M279 PolarHBondContact O-N 3.36Å
278V38.3Very low43.1Very low103 Ų103113.6 Ų113.662%0.62462%0.624SS**  trans-66.3104172.5-179.70000108.5S274 L276S274-V278 WeakPolarHBondContact OG-CG2 3.4Å; S274-V278 PolarHBondContact OG-N 3.3Å; L276-V278 PolarHBondContact O-N 3.15Å
279M37.3Very low42.7Very low147 Ų147116 Ų11672%0.72461%0.614SS**  trans-94.7118.6147.6-70.6-155.1-64.600106.7E277 L281E277-M279 PolarHBondContact O-N 3.36Å; M279-L281 PolarHBondContact O-N 3.3Å
280G35.3Very low42Very low65 Ų65110.8 Ų110.867%0.6761%0.606SS**  trans-51.6134.6-168.800000113.1G282G280-G282 PolarHBondContact O-N 3.05Å
281L39.4Very low41.4Very low112 Ų112111.9 Ų111.959%0.58660%0.602SS**  trans-59.993.1158.9-69.1172.2000107.3M279 F283M279-L281 PolarHBondContact O-N 3.3Å; L281-F283 PolarHBondContact O-N 2.85Å
282G28.9Very low40.6Very low69 Ų69108.8 Ų108.871%0.71160%0.604SS**  trans-61.9105.616900000108G280 K284G280-G282 PolarHBondContact O-N 3.05Å; G282-K284 PolarHBondContact O-N 3.25Å
283F29.3Very low39.6Very low209 Ų209116 Ų11692%0.91764%0.642SS**  trans-58.4108.6160.4-64.6-88000106.9L281L281-F283 PolarHBondContact O-N 2.85Å
284K31.4Very low38.5Very low281 Ų281118.2 Ų118.2100%1.22265%0.646SS**  trans-101.50158-86.9-172.3175.9179.50108.2G282G282-K284 PolarHBondContact O-N 3.25Å

Retrieved 284 of 284 residues in 239.5 ms (Link to these results)