A0A077YW84_TRITR Loading...

fatty acid amide hydrolase

AlphaFold DB , UniProt , Accession A0A077YW84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 591 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
1M56.4Low71.6Confident186 Ų186119.7 Ų119.792%0.91660%0.604SS**  0-52.10-79.8177.86500112.6G3 L4 E5M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.24Å; M1-G3 VanDerWaalsContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-E5 PolarHBondContact O-N 3.28Å
2Y58.5Low72.9Confident208 Ų208119.2 Ų119.282%0.81660%0.603SS**Hα-helixtrans-52.5-34.9-179.3-75.6-77.9000116.4L6Y2-L6 PolarHBondContact O-N 3.24Å
3G63.3Low74.2Confident53 Ų53118.7 Ų118.755%0.54660%0.595SS.*Hα-helixtrans-69.5-30.8177.700000114.7M1 V7M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.24Å; M1-G3 VanDerWaalsContact O-N 3.12Å; G3-V7 VanDerWaalsContact O-CG2 3.28Å; G3-V7 WeakPolarHBondContact O-CG2 3.24Å; G3-V7 PolarHBondContact O-N 3.4Å
4L64.5Low75.4Confident138 Ų138118.4 Ų118.472%0.72359%0.588SS**Hα-helixtrans-78-38.3-178.6-77.2164.5000111.8M1 V7 A8M1-L4 PolarHBondContact O-N 3.09Å; L4-V7 PolarHBondContact O-N 3.02Å; L4-A8 PolarHBondContact O-N 2.82Å
5E69Low76.4Confident106 Ų106113.2 Ų113.250%0.49557%0.571SS.*Hα-helixtrans-64-43.4175.1-73.1-178.5168.600111.5M1 V7 A8 H9M1-E5 PolarHBondContact O-N 3.28Å; E5-V7 VanDerWaalsContact C-N 3.33Å; E5-V7 PolarHBondContact O-N 2.72Å; E5-A8 PolarHBondContact O-N 3.42Å; E5-H9 PolarHBondContact O-CD2 3.49Å; E5-H9 PolarHBondContact O-N 2.82Å
6L69.2Low77.3Confident107 Ų107111 Ų11156%0.5657%0.565SS**Hα-helixtrans-60.6-43.1177.9-156.887.6000111.6Y2 H9 W10Y2-L6 PolarHBondContact O-N 3.24Å; L6-H9 PolarHBondContact O-N 3.2Å; L6-W10 PolarHBondContact O-N 3.3Å; L6-W10 VanDerWaalsContact O-N 3.07Å
7V74.6Confident78.2Confident77 Ų77107.5 Ų107.547%0.46755%0.55SS..Hα-helixtrans-63.6-42.1177.1171.90000111.3G3 L4 E5 H9 W10 Q11G3-V7 VanDerWaalsContact O-CG2 3.28Å; G3-V7 WeakPolarHBondContact O-CG2 3.24Å; G3-V7 PolarHBondContact O-N 3.4Å; L4-V7 PolarHBondContact O-N 3.02Å; E5-V7 VanDerWaalsContact C-N 3.33Å; E5-V7 PolarHBondContact O-N 2.72Å; V7-H9 PolarHBondContact O-N 3.28Å; V7-W10 PolarHBondContact O-N 3.03Å; V7-Q11 HydrophobicContact CG1-CG 4.36Å; V7-Q11 WeakPolarHBondContact O-CB 3.21Å; V7-Q11 VanDerWaalsContact O-CG 3.31Å; V7-Q11 WeakPolarHBondContact O-CG 3.22Å; V7-Q11 PolarHBondContact O-N 3.27Å
8A78.4Confident78.9Confident50 Ų50107.6 Ų107.641%0.41355%0.55SS.*Hα-helixtrans-62.9-40.717700000112.3L4 E5 Q11 L12L4-A8 PolarHBondContact O-N 2.82Å; E5-A8 PolarHBondContact O-N 3.42Å; A8-Q11 PolarHBondContact O-N 2.88Å; A8-L12 PolarHBondContact O-N 2.98Å
9H82.4Confident79.6Confident126 Ų126107.6 Ų107.658%0.58355%0.552SS**Hα-helixtrans-63.3-43.4175.2-71.4-56.8000112.4E5 L6 V7 L12 F13E5-H9 PolarHBondContact O-CD2 3.49Å; E5-H9 PolarHBondContact O-N 2.82Å; L6-H9 PolarHBondContact O-N 3.2Å; V7-H9 PolarHBondContact O-N 3.28Å; H9-L12 PolarHBondContact O-N 3.33Å; H9-F13 WeakPolarHBondContact O-CB 3.42Å; H9-F13 PolarHBondContact O-N 3.21Å
10W85.1Confident80.2Confident137 Ų137106.1 Ų106.152%0.51955%0.551SS.*Hα-helixtrans-65.1-41.3175.3-77.2114.6000112.2L6 V7 L12 F13 F14L6-W10 PolarHBondContact O-N 3.3Å; L6-W10 VanDerWaalsContact O-N 3.07Å; V7-W10 PolarHBondContact O-N 3.03Å; W10-L12 PolarHBondContact O-N 2.99Å; W10-F13 HydrophobicContact CE3-CD1 4.06Å; W10-F13 HydrophobicContact CZ3-CD1 4.07Å; W10-F13 HydrophobicContact CZ3-CE1 4.31Å; W10-F13 PolarHBondContact O-N 2.72Å; W10-F14 HydrophobicContact CB-CD2 4.37Å; W10-F14 HydrophobicContact CB-CE2 4.29Å; W10-F14 AromaticContact CE3-CE2 3.89Å; W10-F14 HydrophobicContact CE3-CE2 3.89Å; W10-F14 HydrophobicContact CE3-CZ 4.29Å; W10-F14 WeakPolarHBondContact O-CD2 3.5Å; W10-F14 PolarHBondContact O-N 2.77Å
11Q85.9Confident80.7Confident129 Ų129105.3 Ų105.360%0.60355%0.546SS*.Hα-helixtrans-59.9-45.5175.4-76.2176.7-19.600111.9V7 A8 F14 A15V7-Q11 HydrophobicContact CG1-CG 4.36Å; V7-Q11 WeakPolarHBondContact O-CB 3.21Å; V7-Q11 VanDerWaalsContact O-CG 3.31Å; V7-Q11 WeakPolarHBondContact O-CG 3.22Å; V7-Q11 PolarHBondContact O-N 3.27Å; A8-Q11 PolarHBondContact O-N 2.88Å; Q11-F14 PolarHBondContact O-N 3.47Å; Q11-A15 VanDerWaalsContact O-CB 3.29Å; Q11-A15 WeakPolarHBondContact O-CB 3.47Å; Q11-A15 PolarHBondContact O-N 2.62Å
12L87.6Confident82.3Confident113 Ų11398.8 Ų98.859%0.59252%0.522SS*.Hα-helixtrans-63.3-43.9176-175.464.7000111.5A8 H9 W10 A15 V16A8-L12 PolarHBondContact O-N 2.98Å; H9-L12 PolarHBondContact O-N 3.33Å; W10-L12 PolarHBondContact O-N 2.99Å; L12-A15 PolarHBondContact O-N 2.9Å; L12-V16 WeakPolarHBondContact O-CG2 2.83Å; L12-V16 PolarHBondContact O-N 2.89Å
13F90Very high83.8Confident113 Ų11396 Ų9650%0.49651%0.511SS..Hα-helixtrans-59.1-51176.4175.6-97.1000112H9 W10 A15 V16 V17H9-F13 WeakPolarHBondContact O-CB 3.42Å; H9-F13 PolarHBondContact O-N 3.21Å; W10-F13 HydrophobicContact CE3-CD1 4.06Å; W10-F13 HydrophobicContact CZ3-CD1 4.07Å; W10-F13 HydrophobicContact CZ3-CE1 4.31Å; W10-F13 PolarHBondContact O-N 2.72Å; F13-A15 VanDerWaalsContact C-N 3.33Å; F13-A15 PolarHBondContact O-N 2.95Å; F13-V16 PolarHBondContact O-N 3.49Å; F13-V17 HydrophobicContact CD1-CG2 4.3Å; F13-V17 HydrophobicContact CD2-CG2 4.47Å; F13-V17 HydrophobicContact CE1-CG2 3.9Å; F13-V17 HydrophobicContact CE2-CG2 4.09Å; F13-V17 HydrophobicContact CZ-CG2 3.78Å; F13-V17 WeakPolarHBondContact O-CG2 3.46Å; F13-V17 PolarHBondContact O-N 2.81Å
14F91.3Very high85.1Confident114 Ų114101.1 Ų101.150%0.551%0.514SS..Hα-helixtrans-63.5-38.6178.3-75.3-63.8000111.9W10 Q11 V17 I18W10-F14 HydrophobicContact CB-CD2 4.37Å; W10-F14 HydrophobicContact CB-CE2 4.29Å; W10-F14 AromaticContact CE3-CE2 3.89Å; W10-F14 HydrophobicContact CE3-CE2 3.89Å; W10-F14 HydrophobicContact CE3-CZ 4.29Å; W10-F14 WeakPolarHBondContact O-CD2 3.5Å; W10-F14 PolarHBondContact O-N 2.77Å; Q11-F14 PolarHBondContact O-N 3.47Å; F14-V17 PolarHBondContact O-N 3.16Å; F14-I18 WeakPolarHBondContact O-CB 3.42Å; F14-I18 WeakPolarHBondContact O-CD1 3.26Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 2.95Å
15A90.2Very high86.3Confident41 Ų4198.3 Ų98.334%0.33950%0.5SS..Hα-helixtrans-61.6-44.3174.900000111.8Q11 L12 F13 I18 N19Q11-A15 VanDerWaalsContact O-CB 3.29Å; Q11-A15 WeakPolarHBondContact O-CB 3.47Å; Q11-A15 PolarHBondContact O-N 2.62Å; L12-A15 PolarHBondContact O-N 2.9Å; F13-A15 VanDerWaalsContact C-N 3.33Å; F13-A15 PolarHBondContact O-N 2.95Å; A15-I18 PolarHBondContact O-N 3.39Å; A15-N19 WeakPolarHBondContact O-CB 3.47Å; A15-N19 PolarHBondContact O-N 2.88Å; A15-N19 PolarHBondContact O-ND2 3.38Å
16V91Very high87.3Confident78 Ų78100.2 Ų100.247%0.47351%0.506SS..Hα-helixtrans-63.7-45176.3171.70000111L12 F13 N19 C20L12-V16 WeakPolarHBondContact O-CG2 2.83Å; L12-V16 PolarHBondContact O-N 2.89Å; F13-V16 PolarHBondContact O-N 3.49Å; V16-N19 PolarHBondContact O-N 2.99Å; V16-C20 WeakPolarHBondContact O-CB 3.47Å; V16-C20 PolarHBondContact O-N 3.11Å; V16-C20 PolarHBondContact O-SG 3.07Å
17V91.2Very high88.3Confident51 Ų5199.8 Ų99.831%0.30950%0.503SS..Hα-helixtrans-62.4-45.2178.1171.30000111.3F13 F14 N19 C20 I21F13-V17 HydrophobicContact CD1-CG2 4.3Å; F13-V17 HydrophobicContact CD2-CG2 4.47Å; F13-V17 HydrophobicContact CE1-CG2 3.9Å; F13-V17 HydrophobicContact CE2-CG2 4.09Å; F13-V17 HydrophobicContact CZ-CG2 3.78Å; F13-V17 WeakPolarHBondContact O-CG2 3.46Å; F13-V17 PolarHBondContact O-N 2.81Å; F14-V17 PolarHBondContact O-N 3.16Å; V17-N19 PolarHBondContact O-N 2.99Å; V17-C20 PolarHBondContact O-N 3.14Å; V17-I21 HydrophobicContact CG1-CD1 3.77Å; V17-I21 HydrophobicContact CG1-CG1 4.43Å; V17-I21 VanDerWaalsContact O-CG1 3.31Å; V17-I21 WeakPolarHBondContact O-CG1 3.39Å; V17-I21 PolarHBondContact O-N 2.84Å
18I92.5Very high88.9Confident109 Ų10999.2 Ų99.256%0.55950%0.499SS*.Hα-helixtrans-61.3-45.4176.7-70.7165.5000110.5F14 A15 C20 I21 A22F14-I18 WeakPolarHBondContact O-CB 3.42Å; F14-I18 WeakPolarHBondContact O-CD1 3.26Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 2.95Å; A15-I18 PolarHBondContact O-N 3.39Å; I18-C20 VanDerWaalsContact C-N 3.34Å; I18-C20 PolarHBondContact O-N 3.36Å; I18-I21 PolarHBondContact O-N 3.23Å; I18-A22 VanDerWaalsContact O-CB 3.26Å; I18-A22 WeakPolarHBondContact O-CB 3.39Å; I18-A22 PolarHBondContact O-N 3.25Å
19N91.8Very high89.4Confident108 Ų108101 Ų10158%0.57850%0.502SS*.Hα-helixtrans-62.8-40176.8-82.8-72.7000112A15 V16 V17 A22 Y23A15-N19 WeakPolarHBondContact O-CB 3.47Å; A15-N19 PolarHBondContact O-N 2.88Å; A15-N19 PolarHBondContact O-ND2 3.38Å; V16-N19 PolarHBondContact O-N 2.99Å; V17-N19 PolarHBondContact O-N 2.99Å; N19-A22 PolarHBondContact O-N 3.25Å; N19-Y23 VanDerWaalsContact O-CB 3.27Å; N19-Y23 WeakPolarHBondContact O-CB 3.2Å; N19-Y23 PolarHBondContact O-N 2.89Å
20C91.6Very high89.8Confident78 Ų7896.4 Ų96.453%0.52749%0.488SS..Hα-helixtrans-63.9-43.8175.6-69.50000111.9V16 V17 I18 W24V16-C20 WeakPolarHBondContact O-CB 3.47Å; V16-C20 PolarHBondContact O-N 3.11Å; V16-C20 PolarHBondContact O-SG 3.07Å; V17-C20 PolarHBondContact O-N 3.14Å; I18-C20 VanDerWaalsContact C-N 3.34Å; I18-C20 PolarHBondContact O-N 3.36Å; C20-W24 VanDerWaalsContact O-CB 3.3Å; C20-W24 WeakPolarHBondContact O-CB 3.47Å; C20-W24 PolarHBondContact O-N 3.16Å
21I91Very high90Very high89 Ų8994.7 Ų94.746%0.45648%0.484SS..Hα-helixtrans-65.4-44.5176.5-68168.2000110.4V17 I18 W24 L25V17-I21 HydrophobicContact CG1-CD1 3.77Å; V17-I21 HydrophobicContact CG1-CG1 4.43Å; V17-I21 VanDerWaalsContact O-CG1 3.31Å; V17-I21 WeakPolarHBondContact O-CG1 3.39Å; V17-I21 PolarHBondContact O-N 2.84Å; I18-I21 PolarHBondContact O-N 3.23Å; I21-W24 PolarHBondContact O-N 2.82Å; I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.31Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 3.27Å
22A90.1Very high90.2Very high50 Ų5095.3 Ų95.341%0.41348%0.481SS..Hα-helixtrans-62.3-44.9178.400000111.6I18 N19 L25 F26I18-A22 VanDerWaalsContact O-CB 3.26Å; I18-A22 WeakPolarHBondContact O-CB 3.39Å; I18-A22 PolarHBondContact O-N 3.25Å; N19-A22 PolarHBondContact O-N 3.25Å; A22-L25 PolarHBondContact O-N 2.95Å; A22-F26 VanDerWaalsContact O-CB 3.31Å; A22-F26 WeakPolarHBondContact O-CB 3.22Å; A22-F26 PolarHBondContact O-N 3.22Å
23Y90.1Very high90.5Very high150 Ų15098.7 Ų98.759%0.58849%0.485SS*.Hα-helixtrans-63-44.7175179.6-102.7000111.7N19 L25 F26 M27N19-Y23 VanDerWaalsContact O-CB 3.27Å; N19-Y23 WeakPolarHBondContact O-CB 3.2Å; N19-Y23 PolarHBondContact O-N 2.89Å; Y23-L25 PolarHBondContact O-N 2.66Å; Y23-F26 WeakPolarHBondContact O-CB 3.03Å; Y23-F26 PolarHBondContact O-N 2.77Å; Y23-M27 HydrophobicContact CD1-CG 4.26Å; Y23-M27 HydrophobicContact CD2-CG 4.5Å; Y23-M27 HydrophobicContact CE1-CG 3.84Å; Y23-M27 HydrophobicContact CE2-CG 4.11Å; Y23-M27 HydrophobicContact CE2-SD 4.26Å; Y23-M27 VanDerWaalsContact O-CG 3.3Å; Y23-M27 WeakPolarHBondContact O-CG 3.31Å; Y23-M27 PolarHBondContact O-N 2.87Å
24W89.7Confident90.7Very high159 Ų15997.7 Ų97.760%0.60249%0.489SS*.Hα-helixtrans-60.9-46.1175.9176.581.8000112C20 I21 F26 M27 V28C20-W24 VanDerWaalsContact O-CB 3.3Å; C20-W24 WeakPolarHBondContact O-CB 3.47Å; C20-W24 PolarHBondContact O-N 3.16Å; I21-W24 PolarHBondContact O-N 2.82Å; W24-F26 VanDerWaalsContact C-N 3.35Å; W24-F26 PolarHBondContact O-N 3.25Å; W24-M27 PolarHBondContact O-N 3.48Å; W24-V28 HydrophobicContact CD2-CG2 4.14Å; W24-V28 HydrophobicContact CZ2-CG2 3.94Å; W24-V28 WeakPolarHBondContact O-CB 3.43Å; W24-V28 VanDerWaalsContact O-CG2 3.3Å; W24-V28 WeakPolarHBondContact O-CG2 3.27Å; W24-V28 PolarHBondContact O-N 3.33Å
25L89.4Confident90.9Very high80 Ų8093.2 Ų93.242%0.41947%0.47SS..Hα-helixtrans-60.2-44.8174.9-76.3173.1000111.1I21 A22 Y23 M27 V28 L29I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.31Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 3.27Å; A22-L25 PolarHBondContact O-N 2.95Å; Y23-L25 PolarHBondContact O-N 2.66Å; L25-M27 PolarHBondContact O-N 3.24Å; L25-V28 PolarHBondContact O-N 3.35Å; L25-L29 VanDerWaalsContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CB 3.21Å; L25-L29 WeakPolarHBondContact O-CG 3.23Å; L25-L29 PolarHBondContact O-N 2.97Å
26F90.2Very high91.2Very high146 Ų14696.6 Ų96.664%0.6448%0.477SS*.Hα-helixtrans-58.1-46.9176.4178.3-97.3000111.6A22 Y23 W24 L29 G30A22-F26 VanDerWaalsContact O-CB 3.31Å; A22-F26 WeakPolarHBondContact O-CB 3.22Å; A22-F26 PolarHBondContact O-N 3.22Å; Y23-F26 WeakPolarHBondContact O-CB 3.03Å; Y23-F26 PolarHBondContact O-N 2.77Å; W24-F26 VanDerWaalsContact C-N 3.35Å; W24-F26 PolarHBondContact O-N 3.25Å; F26-L29 PolarHBondContact O-N 3.3Å; F26-G30 PolarHBondContact O-N 2.96Å
27M89.4Confident91.5Very high97 Ų9795.3 Ų95.348%0.47847%0.474SS..Hα-helixtrans-64-42.8178-70.2-62-72.800112.4Y23 W24 L25 K31Y23-M27 HydrophobicContact CD1-CG 4.26Å; Y23-M27 HydrophobicContact CD2-CG 4.5Å; Y23-M27 HydrophobicContact CE1-CG 3.84Å; Y23-M27 HydrophobicContact CE2-CG 4.11Å; Y23-M27 HydrophobicContact CE2-SD 4.26Å; Y23-M27 VanDerWaalsContact O-CG 3.3Å; Y23-M27 WeakPolarHBondContact O-CG 3.31Å; Y23-M27 PolarHBondContact O-N 2.87Å; W24-M27 PolarHBondContact O-N 3.48Å; L25-M27 PolarHBondContact O-N 3.24Å; M27-K31 WeakPolarHBondContact O-CB 3.49Å; M27-K31 PolarHBondContact O-N 2.75Å
28V87.1Confident91.8Very high65 Ų6593.6 Ų93.639%0.39447%0.466SS..Hα-helixtrans-66.5-44.8178.1170.70000111.3W24 L25 R32W24-V28 HydrophobicContact CD2-CG2 4.14Å; W24-V28 HydrophobicContact CZ2-CG2 3.94Å; W24-V28 WeakPolarHBondContact O-CB 3.43Å; W24-V28 VanDerWaalsContact O-CG2 3.3Å; W24-V28 WeakPolarHBondContact O-CG2 3.27Å; W24-V28 PolarHBondContact O-N 3.33Å; L25-V28 PolarHBondContact O-N 3.35Å; V28-R32 WeakPolarHBondContact O-CB 3.46Å; V28-R32 PolarHBondContact O-N 3.23Å
29L89.3Confident92.1Very high89 Ų8989.3 Ų89.347%0.46644%0.444SS..Hα-helixtrans-66.7-42.8178.1-70.5174000111.4L25 F26 R32 R33L25-L29 VanDerWaalsContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CB 3.21Å; L25-L29 WeakPolarHBondContact O-CG 3.23Å; L25-L29 PolarHBondContact O-N 2.97Å; F26-L29 PolarHBondContact O-N 3.3Å; L29-R32 PolarHBondContact O-N 3Å; L29-R33 WeakPolarHBondContact O-CG 3.13Å; L29-R33 PolarHBondContact O-N 3.3Å
30G90.4Very high92.3Very high28 Ų2887.9 Ų87.929%0.28944%0.442SS..Hα-helixtrans-56.9-52174.500000111.3F26 R32 R33 T34F26-G30 PolarHBondContact O-N 2.96Å; G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.13Å; G30-R33 WeakPolarHBondContact O-CB 3.42Å; G30-R33 PolarHBondContact O-N 2.91Å; G30-R33 VanDerWaalsContact O-N 3.16Å; G30-T34 PolarHBondContact O-N 3.36Å; G30-T34 PolarHBondContact O-OG1 3.23Å; G30-T34 VanDerWaalsContact O-OG1 3.13Å
31K89.8Confident92.6Very high102 Ų10292.5 Ų92.544%0.44345%0.449SS..Hα-helixtrans-58.8-43.3176.3-172.8172.6-176176.20112.3M27 R33 T34 L35 G400M27-K31 WeakPolarHBondContact O-CB 3.49Å; M27-K31 PolarHBondContact O-N 2.75Å; K31-R33 VanDerWaalsContact C-N 3.32Å; K31-R33 PolarHBondContact O-N 3.25Å; K31-T34 PolarHBondContact O-N 3.45Å; K31-L35 WeakPolarHBondContact O-CG 3.45Å; K31-L35 PolarHBondContact O-N 3.02Å; K31-G400 WeakPolarHBondContact CE-O 3.35Å
32R91Very high92.9Very high141 Ų14189.3 Ų89.353%0.53243%0.431SS..Hα-helixtrans-64.3-36.6178.4-168173.8-174.9-177.30.2112.1V28 L29 G30 K36V28-R32 WeakPolarHBondContact O-CB 3.46Å; V28-R32 PolarHBondContact O-N 3.23Å; L29-R32 PolarHBondContact O-N 3Å; G30-R32 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.13Å; R32-K36 WeakPolarHBondContact O-CG 3.31Å; R32-K36 PolarHBondContact O-N 2.86Å
33R93.3Very high93.3Very high184 Ų18490.4 Ų90.469%0.69443%0.429SS*.Hα-helixtrans-64.2-45.9173.3-73.3174.3-178.5178.10.5111.1L29 G30 K31 L35 K36 A37L29-R33 WeakPolarHBondContact O-CG 3.13Å; L29-R33 PolarHBondContact O-N 3.3Å; G30-R33 WeakPolarHBondContact O-CB 3.42Å; G30-R33 PolarHBondContact O-N 2.91Å; G30-R33 VanDerWaalsContact O-N 3.16Å; K31-R33 VanDerWaalsContact C-N 3.32Å; K31-R33 PolarHBondContact O-N 3.25Å; R33-L35 PolarHBondContact O-N 3.04Å; R33-K36 PolarHBondContact O-N 2.87Å; R33-A37 WeakPolarHBondContact O-CB 3.41Å; R33-A37 PolarHBondContact O-N 3.08Å
34T94.8Very high93.6Very high93 Ų9386.4 Ų86.457%0.57142%0.424SS*.Hα-helixtrans-58.9-45.3176.5-53.20000112.1G30 K31 A37 A38G30-T34 PolarHBondContact O-N 3.36Å; G30-T34 PolarHBondContact O-OG1 3.23Å; G30-T34 VanDerWaalsContact O-OG1 3.13Å; K31-T34 PolarHBondContact O-N 3.45Å; T34-A37 PolarHBondContact O-N 3.17Å; T34-A38 PolarHBondContact O-N 2.93Å
35L95.8Very high93.9Very high19 Ų1982 Ų8210%0.09941%0.414CS..Hα-helixtrans-64.1-42.8177.5-68.4-178.4000112.2K31 R33 A37 A38 I39 V164 G400 I402K31-L35 WeakPolarHBondContact O-CG 3.45Å; K31-L35 PolarHBondContact O-N 3.02Å; R33-L35 PolarHBondContact O-N 3.04Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 3.11Å; L35-A38 WeakPolarHBondContact O-CB 3.42Å; L35-A38 PolarHBondContact O-N 3.44Å; L35-I39 WeakPolarHBondContact O-CG1 3.46Å; L35-I39 PolarHBondContact O-N 3.17Å; L35-V164 HydrophobicContact CB-CG1 3.91Å; L35-V164 HydrophobicContact CD2-CB 4.06Å; L35-V164 HydrophobicContact CD2-CG1 3.77Å; L35-V164 HydrophobicContact CG-CG1 4.35Å; L35-V164 WeakPolarHBondContact O-CG1 3.35Å; L35-G400 VanDerWaalsContact CD1-O 3.27Å; L35-G400 WeakPolarHBondContact CD1-O 3.3Å; L35-I402 HydrophobicContact CB-CD1 3.98Å; L35-I402 HydrophobicContact CB-CG1 4.22Å; L35-I402 HydrophobicContact CD1-CG1 4.1Å
36K96.3Very high94.2Very high113 Ų11379 Ų7949%0.49140%0.399SS..Hα-helixtrans-61.6-42.3174.7-76.3-175.3173.2-165.30112.1R32 R33 A38 I39 S40 I402R32-K36 WeakPolarHBondContact O-CG 3.31Å; R32-K36 PolarHBondContact O-N 2.86Å; R33-K36 PolarHBondContact O-N 2.87Å; K36-A38 VanDerWaalsContact C-N 3.31Å; K36-A38 PolarHBondContact O-N 3.33Å; K36-I39 PolarHBondContact O-N 3.13Å; K36-S40 PolarHBondContact O-N 2.95Å; K36-S40 PolarHBondContact O-OG 3.15Å; K36-I402 HydrophobicContact CG-CD1 4.08Å
37A96.9Very high94.5Very high50 Ų5078.3 Ų78.341%0.41340%0.398SS..Hα-helixtrans-64.6-35.1176.300000112.3R33 T34 L35 R41R33-A37 WeakPolarHBondContact O-CB 3.41Å; R33-A37 PolarHBondContact O-N 3.08Å; T34-A37 PolarHBondContact O-N 3.17Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 3.11Å; A37-R41 WeakPolarHBondContact O-CG 3.46Å; A37-R41 PolarHBondContact O-N 3.38Å; A37-R41 PolarHBondContact O-NE 3.19Å
38A97.3Very high94.9Very high16 Ų1680.2 Ų80.213%0.13241%0.406CS..Hα-helixtrans-64.2-44.4172.400000111.8T34 L35 K36 R41 R42 V164 L167T34-A38 PolarHBondContact O-N 2.93Å; L35-A38 WeakPolarHBondContact O-CB 3.42Å; L35-A38 PolarHBondContact O-N 3.44Å; K36-A38 VanDerWaalsContact C-N 3.31Å; K36-A38 PolarHBondContact O-N 3.33Å; A38-R41 PolarHBondContact O-N 3.43Å; A38-R42 PolarHBondContact O-N 2.99Å; A38-V164 HydrophobicContact CB-CG1 4.44Å; A38-L167 HydrophobicContact CB-CD1 3.96Å
39I98Very high95.3Very high19 Ų1978 Ų7810%0.09739%0.393CS..Hα-helixtrans-59.8-50.8175-65162.7000110.7L35 K36 R41 R42 L43 V164 L167 P206 I402L35-I39 WeakPolarHBondContact O-CG1 3.46Å; L35-I39 PolarHBondContact O-N 3.17Å; K36-I39 PolarHBondContact O-N 3.13Å; I39-R41 VanDerWaalsContact C-N 3.31Å; I39-R41 PolarHBondContact O-N 2.93Å; I39-R42 PolarHBondContact O-N 3.33Å; I39-R42 VanDerWaalsContact O-N 3.08Å; I39-L43 HydrophobicContact CG2-CD1 3.74Å; I39-L43 HydrophobicContact CG2-CG 4.09Å; I39-L43 WeakPolarHBondContact O-CG 3.46Å; I39-L43 PolarHBondContact O-N 3.44Å; I39-V164 HydrophobicContact CD1-CG1 3.96Å; I39-V164 HydrophobicContact CD1-CG2 3.83Å; I39-V164 HydrophobicContact CG1-CG1 3.62Å; I39-V164 HydrophobicContact CG1-CG2 4.12Å; I39-L167 HydrophobicContact CG1-CD1 4.32Å; I39-P206 WeakPolarHBondContact CD1-O 3.49Å; I39-I402 HydrophobicContact CD1-CD1 3.71Å
40S97.7Very high95.6Very high78 Ų7874.9 Ų74.955%0.54538%0.38SS..Hα-helixtrans-58.7-42-179.3-63.30000112.3K36 S44K36-S40 PolarHBondContact O-N 2.95Å; K36-S40 PolarHBondContact O-OG 3.15Å; S40-S44 WeakPolarHBondContact O-CB 3.3Å; S40-S44 PolarHBondContact O-N 3.02Å
41R97.4Very high95.9Very high174 Ų17476.6 Ų76.666%0.65739%0.387SS*.Hα-helixtrans-62.3-44.3174.2-74.4-175.5-63.6163.43.3111.9A37 A38 I39 S44 V45A37-R41 WeakPolarHBondContact O-CG 3.46Å; A37-R41 PolarHBondContact O-N 3.38Å; A37-R41 PolarHBondContact O-NE 3.19Å; A38-R41 PolarHBondContact O-N 3.43Å; I39-R41 VanDerWaalsContact C-N 3.31Å; I39-R41 PolarHBondContact O-N 2.93Å; R41-S44 PolarHBondContact O-N 3.15Å; R41-V45 WeakPolarHBondContact O-CG2 3.26Å; R41-V45 PolarHBondContact O-N 3.38Å; R41-V45 VanDerWaalsContact O-N 3.15Å
42R97.4Very high96.3Very high22 Ų2274.5 Ų74.58%0.08339%0.389CS..Hα-helixtrans-62.3-49.5178.9179.862.5176.7145.73.6111.7A38 I39 S44 V45 C46 E158 L167 I207 Y208A38-R42 PolarHBondContact O-N 2.99Å; I39-R42 PolarHBondContact O-N 3.33Å; I39-R42 VanDerWaalsContact O-N 3.08Å; R42-S44 VanDerWaalsContact C-N 3.3Å; R42-S44 PolarHBondContact O-N 3.11Å; R42-V45 PolarHBondContact O-N 3.41Å; R42-C46 VanDerWaalsContact CZ-SG 3.54Å; R42-C46 PolarHBondContact O-N 2.61Å; R42-C46 PolarHBondContact O-SG 3.46Å; R42-E158 WeakPolarHBondContact CD-OE2 3.43Å; R42-E158 IonicContact CZ-OE2 3.91Å; R42-E158 IonicContact NE-OE2 3.45Å; R42-E158 PolarHBondContact NE-OE2 3.45Å; R42-L167 HydrophobicContact CB-CD1 4.12Å; R42-L167 HydrophobicContact CB-CD2 3.86Å; R42-L167 HydrophobicContact CG-CD2 3.58Å; R42-I207 HydrophobicContact CG-CG2 4.23Å; R42-Y208 HydrophobicContact CG-CE1 4.18Å; R42-Y208 PolarHBondContact NE-OH 3.35Å; R42-Y208 VanDerWaalsContact NE-OH 3.13Å
43L97.3Very high96.5Very high73 Ų7368.8 Ų68.838%0.38237%0.369SS..Hα-helixtrans-61.1-39.9179.6-68.9178.7000111.7I39 V45 C46 E47 Y208I39-L43 HydrophobicContact CG2-CD1 3.74Å; I39-L43 HydrophobicContact CG2-CG 4.09Å; I39-L43 WeakPolarHBondContact O-CG 3.46Å; I39-L43 PolarHBondContact O-N 3.44Å; L43-V45 VanDerWaalsContact C-N 3.35Å; L43-V45 PolarHBondContact O-N 3.23Å; L43-C46 PolarHBondContact O-N 3.2Å; L43-E47 WeakPolarHBondContact O-CB 3.32Å; L43-E47 PolarHBondContact O-N 3.08Å; L43-Y208 HydrophobicContact CD2-CD1 4.1Å
44S97.5Very high96.6Very high67 Ų6765.5 Ų65.547%0.46936%0.36SS..Hα-helixtrans-59-43.4174.7-174.10000112.4S40 R41 R42 E47 E48S40-S44 WeakPolarHBondContact O-CB 3.3Å; S40-S44 PolarHBondContact O-N 3.02Å; R41-S44 PolarHBondContact O-N 3.15Å; R42-S44 VanDerWaalsContact C-N 3.3Å; R42-S44 PolarHBondContact O-N 3.11Å; S44-E47 PolarHBondContact O-N 2.96Å; S44-E48 WeakPolarHBondContact O-CB 3.39Å; S44-E48 PolarHBondContact O-N 2.78Å
45V96.4Very high96.7Very high65 Ų6568.1 Ų68.139%0.39437%0.365SS..Hα-helixtrans-65-43.8177171.30000110.9R41 R42 L43 E47 E48 V49R41-V45 WeakPolarHBondContact O-CG2 3.26Å; R41-V45 PolarHBondContact O-N 3.38Å; R41-V45 VanDerWaalsContact O-N 3.15Å; R42-V45 PolarHBondContact O-N 3.41Å; L43-V45 VanDerWaalsContact C-N 3.35Å; L43-V45 PolarHBondContact O-N 3.23Å; V45-E47 VanDerWaalsContact C-N 3.32Å; V45-E47 PolarHBondContact O-N 3.38Å; V45-E48 PolarHBondContact O-N 2.81Å; V45-V49 WeakPolarHBondContact O-CG2 3.38Å; V45-V49 PolarHBondContact O-N 3.2Å; V45-V49 VanDerWaalsContact O-N 3.1Å
46C96.1Very high96.7Very high17 Ų1771.3 Ų71.312%0.11539%0.389CS..Hα-helixtrans-64-38.7177.9-61.90000112R42 L43 A50 V114 Q115R42-C46 VanDerWaalsContact CZ-SG 3.54Å; R42-C46 PolarHBondContact O-N 2.61Å; R42-C46 PolarHBondContact O-SG 3.46Å; L43-C46 PolarHBondContact O-N 3.2Å; C46-A50 VanDerWaalsContact O-CB 3.32Å; C46-A50 WeakPolarHBondContact O-CB 3.33Å; C46-A50 PolarHBondContact O-N 2.72Å; C46-V114 PolarHBondContact SG-O 2.81Å; C46-Q115 PolarHBondContact SG-OE1 2.99Å; C46-Q115 VanDerWaalsContact SG-OE1 3.37Å
47E95.5Very high96.6Very high133 Ų13366.3 Ų66.362%0.62137%0.368SS*.Hα-helixtrans-68.6-38.8177.2-175173-169.500112.2L43 S44 V45 A50 S51L43-E47 WeakPolarHBondContact O-CB 3.32Å; L43-E47 PolarHBondContact O-N 3.08Å; S44-E47 PolarHBondContact O-N 2.96Å; V45-E47 VanDerWaalsContact C-N 3.32Å; V45-E47 PolarHBondContact O-N 3.38Å; E47-A50 PolarHBondContact O-N 2.93Å; E47-S51 VanDerWaalsContact O-CB 3.24Å; E47-S51 WeakPolarHBondContact O-CB 3.37Å; E47-S51 PolarHBondContact O-N 3.11Å; E47-S51 PolarHBondContact O-OG 2.92Å
48E97.1Very high96.4Very high137 Ų13768 Ų6864%0.6438%0.377SS*.Hα-helixtrans-61.3-49.8174.6-175.8176.8178.200111.2S44 V45 A50 S51 A52S44-E48 WeakPolarHBondContact O-CB 3.39Å; S44-E48 PolarHBondContact O-N 2.78Å; V45-E48 PolarHBondContact O-N 2.81Å; E48-A50 PolarHBondContact O-N 3.5Å; E48-S51 PolarHBondContact O-N 2.97Å; E48-A52 WeakPolarHBondContact O-CB 3.42Å; E48-A52 PolarHBondContact O-N 3Å
49V96.8Very high96.2Very high18 Ų1869.9 Ų69.911%0.10939%0.386CS..Hα-helixtrans-61.4-45176.9173.80000111.3V45 S51 A52 L53 F116 E118V45-V49 WeakPolarHBondContact O-CG2 3.38Å; V45-V49 PolarHBondContact O-N 3.2Å; V45-V49 VanDerWaalsContact O-N 3.1Å; V49-S51 VanDerWaalsContact C-N 3.32Å; V49-S51 PolarHBondContact O-N 2.92Å; V49-A52 PolarHBondContact O-N 3.15Å; V49-L53 WeakPolarHBondContact O-CB 3.15Å; V49-L53 PolarHBondContact O-N 3.45Å; V49-F116 HydrophobicContact CG1-CB 4.14Å; V49-E118 HydrophobicContact CG1-CG 3.8Å; V49-E118 HydrophobicContact CG2-CG 4.05Å
50A96.1Very high95.8Very high24 Ų2474.9 Ų74.920%0.19842%0.423CS..Hα-helixtrans-64.5-36.817800000112.3C46 E47 E48 K54 L102 F116C46-A50 VanDerWaalsContact O-CB 3.32Å; C46-A50 WeakPolarHBondContact O-CB 3.33Å; C46-A50 PolarHBondContact O-N 2.72Å; E47-A50 PolarHBondContact O-N 2.93Å; E48-A50 PolarHBondContact O-N 3.5Å; A50-K54 VanDerWaalsContact O-CB 3.31Å; A50-K54 WeakPolarHBondContact O-CB 3.49Å; A50-K54 PolarHBondContact O-N 3.46Å; A50-L102 HydrophobicContact CB-CD2 4.04Å; A50-F116 HydrophobicContact CB-CD2 4.17Å; A50-F116 HydrophobicContact CB-CE2 4.29Å
51S96Very high95.6Very high63 Ų6374.8 Ų74.844%0.44142%0.416SS..Hα-helixtrans-68.8-45.4177.8-61.70000111.5E47 E48 V49 L53 K54 E55E47-S51 VanDerWaalsContact O-CB 3.24Å; E47-S51 WeakPolarHBondContact O-CB 3.37Å; E47-S51 PolarHBondContact O-N 3.11Å; E47-S51 PolarHBondContact O-OG 2.92Å; E48-S51 PolarHBondContact O-N 2.97Å; V49-S51 VanDerWaalsContact C-N 3.32Å; V49-S51 PolarHBondContact O-N 2.92Å; S51-L53 VanDerWaalsContact C-N 3.3Å; S51-L53 PolarHBondContact O-N 3.21Å; S51-K54 WeakPolarHBondContact O-CB 3.46Å; S51-K54 PolarHBondContact O-N 3.09Å; S51-K54 VanDerWaalsContact O-N 3.17Å; S51-E55 PolarHBondContact O-N 2.67Å
52A96.8Very high95.4Very high58 Ų5870.6 Ų70.648%0.47941%0.414SS..Hα-helixtrans-59.9-41.417500000111.6E48 V49 E55 S56E48-A52 WeakPolarHBondContact O-CB 3.42Å; E48-A52 PolarHBondContact O-N 3Å; V49-A52 PolarHBondContact O-N 3.15Å; A52-E55 PolarHBondContact O-N 3.44Å; A52-S56 PolarHBondContact O-N 2.86Å
53L96.4Very high95.3Very high22 Ų2275.6 Ų75.612%0.11544%0.441CS..Hα-helixtrans-67.7-37.5175.4-172.363.8000112.5V49 S51 E55 S56 L57 Q98 L102 F116V49-L53 WeakPolarHBondContact O-CB 3.15Å; V49-L53 PolarHBondContact O-N 3.45Å; S51-L53 VanDerWaalsContact C-N 3.3Å; S51-L53 PolarHBondContact O-N 3.21Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-S56 PolarHBondContact O-N 2.87Å; L53-S56 PolarHBondContact O-OG 3.28Å; L53-S56 VanDerWaalsContact O-OG 3.04Å; L53-L57 HydrophobicContact CD1-CD1 3.96Å; L53-L57 HydrophobicContact CD1-CG 4.22Å; L53-L57 HydrophobicContact CG-CD1 3.97Å; L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 3.22Å; L53-Q98 HydrophobicContact CD2-CB 4.09Å; L53-Q98 HydrophobicContact CD2-CG 4.12Å; L53-L102 HydrophobicContact CB-CD1 4.19Å; L53-L102 HydrophobicContact CD2-CD1 3.97Å; L53-L102 HydrophobicContact CD2-CG 4.26Å; L53-L102 HydrophobicContact CG-CD1 3.79Å; L53-F116 HydrophobicContact CD2-CB 4.02Å; L53-F116 HydrophobicContact CD2-CD1 3.64Å; L53-F116 HydrophobicContact CD2-CD2 4.21Å; L53-F116 HydrophobicContact CD2-CE1 4.12Å; L53-F116 HydrophobicContact CD2-CG 3.69Å
54K95.6Very high95.1Very high115 Ų11574 Ų7450%0.543%0.431SS..Hα-helixtrans-64.9-37.9175.3-174.3171.8-177.5167.90111.4A50 S51 S58 L102 D106A50-K54 VanDerWaalsContact O-CB 3.31Å; A50-K54 WeakPolarHBondContact O-CB 3.49Å; A50-K54 PolarHBondContact O-N 3.46Å; S51-K54 WeakPolarHBondContact O-CB 3.46Å; S51-K54 PolarHBondContact O-N 3.09Å; S51-K54 VanDerWaalsContact O-N 3.17Å; K54-S58 WeakPolarHBondContact O-CB 3.37Å; K54-S58 PolarHBondContact O-N 3.23Å; K54-S58 VanDerWaalsContact O-N 3.12Å; K54-L102 HydrophobicContact CB-CD1 4.17Å; K54-D106 IonicContact NZ-OD2 2.72Å; K54-D106 PolarHBondContact NZ-OD2 2.93Å
55E96.1Very high95Very high147 Ų14772.4 Ų72.469%0.68742%0.418SS*.Hα-helixtrans-67.2-48.6174.2-174.2175.7-179.500111.3S51 A52 L53 L57 S58S51-E55 PolarHBondContact O-N 2.67Å; A52-E55 PolarHBondContact O-N 3.44Å; L53-E55 VanDerWaalsContact C-N 3.31Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 3.41Å; E55-S58 VanDerWaalsContact O-CB 3.3Å; E55-S58 WeakPolarHBondContact O-CB 3.46Å; E55-S58 PolarHBondContact O-N 2.81Å; E55-S58 PolarHBondContact O-OG 3.46Å
56S95.2Very high95Very high86 Ų8673.4 Ų73.460%0.60142%0.418SS*.Hα-helixtrans-63.5-33.3-179.773.10000113.2A52 L53A52-S56 PolarHBondContact O-N 2.86Å; L53-S56 PolarHBondContact O-N 2.87Å; L53-S56 PolarHBondContact O-OG 3.28Å; L53-S56 VanDerWaalsContact O-OG 3.04Å
57L95.1Very high95.1Very high8 Ų875.7 Ų75.74%0.04243%0.426CS..THydrogen-bonded Turntrans-90.2-0.1177-63.1178.2000113.3L53 E55 T59 R68 H95 Q98 W99 L102L53-L57 HydrophobicContact CD1-CD1 3.96Å; L53-L57 HydrophobicContact CD1-CG 4.22Å; L53-L57 HydrophobicContact CG-CD1 3.97Å; L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 3.22Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 3.41Å; L57-T59 PolarHBondContact O-N 2.82Å; L57-R68 PolarHBondContact O-NH1 3.19Å; L57-H95 HydrophobicContact CD2-CB 3.66Å; L57-Q98 HydrophobicContact CD1-CB 3.58Å; L57-W99 HydrophobicContact CD1-CB 4.27Å; L57-L102 HydrophobicContact CD1-CD1 4.12Å
58S92.9Very high95.2Very high86 Ų8669.9 Ų69.960%0.60140%0.399SS*.  trans-67.8127.9179.672.80000110.4K54 E55K54-S58 WeakPolarHBondContact O-CB 3.37Å; K54-S58 PolarHBondContact O-N 3.23Å; K54-S58 VanDerWaalsContact O-N 3.12Å; E55-S58 VanDerWaalsContact O-CB 3.3Å; E55-S58 WeakPolarHBondContact O-CB 3.46Å; E55-S58 PolarHBondContact O-N 2.81Å; E55-S58 PolarHBondContact O-OG 3.46Å
59T93.1Very high95.2Very high55 Ų5568.1 Ų68.134%0.33739%0.386SS..  trans-155.2141.3177.4-178.50000109.7L57 D61 E64 L65L57-T59 PolarHBondContact O-N 2.82Å; T59-D61 WeakPolarHBondContact OG1-CB 3.16Å; T59-D61 PolarHBondContact OG1-N 3.38Å; T59-D61 VanDerWaalsContact OG1-N 3.1Å; T59-E64 HydrophobicContact CG2-CB 4.35Å; T59-E64 HydrophobicContact CG2-CG 3.92Å; T59-L65 HydrophobicContact CG2-CD2 4.07Å; T59-L65 HydrophobicContact CG2-CG 4.18Å
60S89.8Confident95.3Very high124 Ų12471.6 Ų71.687%0.86740%0.403SS*.  trans-96.3-1.6169.954.20000112.5S62S60-S62 PolarHBondContact O-N 3.25Å
61D93.7Very high95.4Very high76 Ų7670.6 Ų70.641%0.40640%0.395SS..  trans-69.1113.9178.1-174.8-8.1000110.1T59 I63 E64 L65T59-D61 WeakPolarHBondContact OG1-CB 3.16Å; T59-D61 PolarHBondContact OG1-N 3.38Å; T59-D61 VanDerWaalsContact OG1-N 3.1Å; D61-I63 VanDerWaalsContact C-N 3.25Å; D61-I63 PolarHBondContact O-N 2.99Å; D61-I63 WeakPolarHBondContact OD1-CB 3.23Å; D61-I63 PolarHBondContact OD1-N 3.16Å; D61-E64 HydrophobicContact CB-CB 3.99Å; D61-E64 PolarHBondContact O-N 3.48Å; D61-L65 WeakPolarHBondContact O-CG 3.43Å; D61-L65 PolarHBondContact O-N 3.39Å
62S93.2Very high95.5Very high86 Ų8668.2 Ų68.260%0.60138%0.377SS*.Hα-helixtrans-65.1-30.1179.455.20000112.6S60 E66S60-S62 PolarHBondContact O-N 3.25Å; S62-E66 WeakPolarHBondContact O-CB 3.16Å; S62-E66 PolarHBondContact O-N 2.95Å
63I93.9Very high95.5Very high128 Ų12872.4 Ų72.466%0.65639%0.387SS*.Hα-helixtrans-69.5-47.2179.1-60.7174.8000109.4D61 E66 K67D61-I63 VanDerWaalsContact C-N 3.25Å; D61-I63 PolarHBondContact O-N 2.99Å; D61-I63 WeakPolarHBondContact OD1-CB 3.23Å; D61-I63 PolarHBondContact OD1-N 3.16Å; I63-E66 PolarHBondContact O-N 3.35Å; I63-K67 WeakPolarHBondContact O-CB 3.36Å; I63-K67 PolarHBondContact O-N 3.45Å
64E94.5Very high95.6Very high38 Ų3872.7 Ų72.718%0.17839%0.388CS..Hα-helixtrans-63.9-41.8177.617954-153.900111.7T59 D61 E66 K67 R68T59-E64 HydrophobicContact CG2-CB 4.35Å; T59-E64 HydrophobicContact CG2-CG 3.92Å; D61-E64 HydrophobicContact CB-CB 3.99Å; D61-E64 PolarHBondContact O-N 3.48Å; E64-E66 VanDerWaalsContact C-N 3.32Å; E64-E66 PolarHBondContact O-N 2.68Å; E64-K67 WeakPolarHBondContact O-CB 3.44Å; E64-K67 PolarHBondContact O-N 3Å; E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 2.86Å; E64-R68 IonicContact OE1-CZ 3.85Å; E64-R68 IonicContact OE1-NE 3.4Å; E64-R68 PolarHBondContact OE1-NE 2.98Å; E64-R68 IonicContact OE1-NH2 2.71Å; E64-R68 PolarHBondContact OE1-NH2 2.98Å
65L95.5Very high95.7Very high34 Ų3468.3 Ų68.318%0.17838%0.375CS..Hα-helixtrans-63-39.1174.8-71.5174000112.3T59 D61 R68 R69 W99T59-L65 HydrophobicContact CG2-CD2 4.07Å; T59-L65 HydrophobicContact CG2-CG 4.18Å; D61-L65 WeakPolarHBondContact O-CG 3.43Å; D61-L65 PolarHBondContact O-N 3.39Å; L65-R68 PolarHBondContact O-N 2.95Å; L65-R69 WeakPolarHBondContact O-CG 3.19Å; L65-R69 PolarHBondContact O-N 3.36Å; L65-R69 VanDerWaalsContact O-N 3.12Å; L65-W99 HydrophobicContact CD2-CZ2 4.29Å
66E96.6Very high95.8Very high87 Ų8761.3 Ų61.341%0.40734%0.343SS..Hα-helixtrans-69.4-40.7177-167.558.6-159.900111.8S62 I63 E64 R68 R69 L70S62-E66 WeakPolarHBondContact O-CB 3.16Å; S62-E66 PolarHBondContact O-N 2.95Å; I63-E66 PolarHBondContact O-N 3.35Å; E64-E66 VanDerWaalsContact C-N 3.32Å; E64-E66 PolarHBondContact O-N 2.68Å; E66-R68 VanDerWaalsContact C-N 3.31Å; E66-R68 PolarHBondContact O-N 3.06Å; E66-R69 WeakPolarHBondContact O-CB 3.29Å; E66-R69 PolarHBondContact O-N 3.05Å; E66-R69 VanDerWaalsContact O-N 3.12Å; E66-R69 IonicContact OE2-CZ 3.79Å; E66-R69 IonicContact OE2-NH1 2.95Å; E66-R69 PolarHBondContact OE2-NH1 2.9Å; E66-L70 HydrophobicContact CG-CD1 4.37Å; E66-L70 WeakPolarHBondContact O-CG 3.2Å; E66-L70 PolarHBondContact O-N 3.43Å
67K97.5Very high96Very high64 Ų6460 Ų6028%0.27833%0.334SS..Hα-helixtrans-54.3-48.1172.3-176.4-177.2-179.1-172.90111I63 E64 R69 L70 I71 D92I63-K67 WeakPolarHBondContact O-CB 3.36Å; I63-K67 PolarHBondContact O-N 3.45Å; E64-K67 WeakPolarHBondContact O-CB 3.44Å; E64-K67 PolarHBondContact O-N 3Å; K67-R69 PolarHBondContact O-N 2.92Å; K67-L70 PolarHBondContact O-N 2.63Å; K67-I71 HydrophobicContact CG-CD1 3.98Å; K67-I71 VanDerWaalsContact O-CG1 3.28Å; K67-I71 WeakPolarHBondContact O-CG1 3.48Å; K67-I71 PolarHBondContact O-N 3.13Å; K67-D92 WeakPolarHBondContact CE-OD2 3.4Å; K67-D92 IonicContact NZ-OD1 2.99Å; K67-D92 PolarHBondContact NZ-OD1 3.18Å; K67-D92 IonicContact NZ-OD2 3.28Å; K67-D92 PolarHBondContact NZ-OD2 2.91Å
68R97.6Very high96.1Very high12 Ų1264.9 Ų64.95%0.04536%0.356CS..Hα-helixtrans-61.1-41.3176.8-67.4173.6-171.8-176.6-1112.7L57 E64 L65 E66 I71 I72 A96 W99L57-R68 PolarHBondContact O-NH1 3.19Å; E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 2.86Å; E64-R68 IonicContact OE1-CZ 3.85Å; E64-R68 IonicContact OE1-NE 3.4Å; E64-R68 PolarHBondContact OE1-NE 2.98Å; E64-R68 IonicContact OE1-NH2 2.71Å; E64-R68 PolarHBondContact OE1-NH2 2.98Å; L65-R68 PolarHBondContact O-N 2.95Å; E66-R68 VanDerWaalsContact C-N 3.31Å; E66-R68 PolarHBondContact O-N 3.06Å; R68-I71 PolarHBondContact O-N 2.99Å; R68-I72 PolarHBondContact O-N 2.93Å; R68-A96 HydrophobicContact CB-CB 4.04Å; R68-A96 HydrophobicContact CG-CB 4.08Å; R68-W99 HydrophobicContact CB-CD2 4.28Å; R68-W99 HydrophobicContact CB-CE3 3.91Å; R68-W99 HydrophobicContact CB-CZ3 4.17Å
69R97.4Very high96.4Very high99 Ų9960.8 Ų60.837%0.37433%0.328SS..Hα-helixtrans-62.1-44.1176.1-72.5-180-165.7115.83.6112.1L65 E66 K67 I72 Q73 W99L65-R69 WeakPolarHBondContact O-CG 3.19Å; L65-R69 PolarHBondContact O-N 3.36Å; L65-R69 VanDerWaalsContact O-N 3.12Å; E66-R69 WeakPolarHBondContact O-CB 3.29Å; E66-R69 PolarHBondContact O-N 3.05Å; E66-R69 VanDerWaalsContact O-N 3.12Å; E66-R69 IonicContact OE2-CZ 3.79Å; E66-R69 IonicContact OE2-NH1 2.95Å; E66-R69 PolarHBondContact OE2-NH1 2.9Å; K67-R69 PolarHBondContact O-N 2.92Å; R69-I72 VanDerWaalsContact O-CG1 3.23Å; R69-I72 WeakPolarHBondContact O-CG1 3.31Å; R69-Q73 WeakPolarHBondContact O-CG 3.49Å; R69-Q73 PolarHBondContact O-N 3.45Å; R69-W99 HydrophobicContact CG-CH2 3.77Å; R69-W99 HydrophobicContact CG-CZ3 4.3Å
70L98Very high96.7Very high91 Ų9159.5 Ų59.548%0.47632%0.32SS..Hα-helixtrans-64.5-44178.2-69.2171.1000111.2E66 K67 I72 Q73 L74E66-L70 HydrophobicContact CG-CD1 4.37Å; E66-L70 WeakPolarHBondContact O-CG 3.2Å; E66-L70 PolarHBondContact O-N 3.43Å; K67-L70 PolarHBondContact O-N 2.63Å; L70-I72 PolarHBondContact O-N 2.85Å; L70-Q73 PolarHBondContact O-N 2.94Å; L70-L74 PolarHBondContact O-N 3.48Å
71I98.6Very high97.1Very high4 Ų456.3 Ų56.32%0.02130%0.301CS..Hα-helixtrans-58.4-48.3179.6-70.3167.9000111.6K67 R68 Q73 L74 L79 L88 D92 V93 A96 Y97K67-I71 HydrophobicContact CG-CD1 3.98Å; K67-I71 VanDerWaalsContact O-CG1 3.28Å; K67-I71 WeakPolarHBondContact O-CG1 3.48Å; K67-I71 PolarHBondContact O-N 3.13Å; R68-I71 PolarHBondContact O-N 2.99Å; I71-Q73 PolarHBondContact O-N 3.48Å; I71-L74 WeakPolarHBondContact O-CB 3.44Å; I71-L74 PolarHBondContact O-N 2.92Å; I71-L74 VanDerWaalsContact O-N 3.15Å; I71-L79 HydrophobicContact CG2-CD1 4.18Å; I71-L88 HydrophobicContact CD1-CD2 3.97Å; I71-L88 HydrophobicContact CG1-CD1 3.97Å; I71-L88 HydrophobicContact CG1-CD2 4.04Å; I71-D92 HydrophobicContact CD1-CB 4.26Å; I71-V93 HydrophobicContact CG2-CB 4.47Å; I71-V93 HydrophobicContact CG2-CG1 4.29Å; I71-V93 HydrophobicContact CG2-CG2 4.21Å; I71-A96 HydrophobicContact CB-CB 3.76Å; I71-A96 HydrophobicContact CD1-CB 4.06Å; I71-A96 HydrophobicContact CG2-CB 3.59Å; I71-Y97 HydrophobicContact CG2-CE2 4.17Å
72I98.1Very high97.3Very high13 Ų1355.3 Ų55.37%0.06729%0.293CS..Hα-helixtrans-68.8-17.1-176.163.5169000113.7R68 R69 L70 A96 Y97 W99 R100 R292R68-I72 PolarHBondContact O-N 2.93Å; R69-I72 VanDerWaalsContact O-CG1 3.23Å; R69-I72 WeakPolarHBondContact O-CG1 3.31Å; L70-I72 PolarHBondContact O-N 2.85Å; I72-A96 HydrophobicContact CG2-CB 4.07Å; I72-Y97 HydrophobicContact CB-CE1 4.47Å; I72-Y97 HydrophobicContact CG2-CD1 4.25Å; I72-Y97 HydrophobicContact CG2-CE1 4.23Å; I72-Y97 HydrophobicContact CG2-CG 4.4Å; I72-W99 HydrophobicContact CD1-CZ3 3.98Å; I72-R100 HydrophobicContact CD1-CB 4.11Å; I72-R100 HydrophobicContact CD1-CG 3.81Å; I72-R100 HydrophobicContact CG2-CB 4.14Å; I72-R292 PolarHBondContact O-NH2 3.06Å
73Q97.6Very high97.5Very high146 Ų14651.2 Ų51.268%0.68226%0.264SS*.Hα-helixtrans-82.5-19.8176.1-72175.9-1.500113.2R69 L70 I71R69-Q73 WeakPolarHBondContact O-CG 3.49Å; R69-Q73 PolarHBondContact O-N 3.45Å; L70-Q73 PolarHBondContact O-N 2.94Å; I71-Q73 PolarHBondContact O-N 3.48Å
74L98.2Very high97.7Very high28 Ų2848.2 Ų48.215%0.14725%0.247CC..SBendtrans-62.8145-179.8-63.2174.1000111.9L70 I71 E78 L79 K82 L88 R292L70-L74 PolarHBondContact O-N 3.48Å; I71-L74 WeakPolarHBondContact O-CB 3.44Å; I71-L74 PolarHBondContact O-N 2.92Å; I71-L74 VanDerWaalsContact O-N 3.15Å; L74-E78 HydrophobicContact CB-CB 4.41Å; L74-E78 HydrophobicContact CD2-CB 4.19Å; L74-L79 HydrophobicContact CB-CB 4.19Å; L74-L79 HydrophobicContact CD1-CB 4.45Å; L74-L79 HydrophobicContact CD1-CD1 4Å; L74-K82 HydrophobicContact CD1-CD 3.86Å; L74-L88 HydrophobicContact CD1-CD1 3.89Å; L74-R292 PolarHBondContact O-NH2 3.26Å
75G97.9Very high97.7Very high22 Ų2249.7 Ų49.723%0.22726%0.262CS..  trans-74.6161.416500000111.5S77 E78 L79G75-S77 VanDerWaalsContact C-N 3.27Å; G75-S77 PolarHBondContact O-N 2.85Å; G75-E78 PolarHBondContact N-OE2 2.91Å; G75-E78 VanDerWaalsContact N-OE2 3.15Å; G75-E78 PolarHBondContact O-N 3.29Å; G75-E78 VanDerWaalsContact O-N 3.16Å; G75-L79 WeakPolarHBondContact O-CB 3.36Å; G75-L79 PolarHBondContact O-N 3.44Å
76L98.5Very high97.7Very high1 Ų150.7 Ų50.71%0.00527%0.266CS..Hα-helixtrans-58.7-39.1-178-178.267.9000112.5T80 I144 I238 Y295 S296 T299L76-T80 VanDerWaalsContact O-CB 3.23Å; L76-T80 WeakPolarHBondContact O-CB 3.39Å; L76-T80 PolarHBondContact O-N 3.28Å; L76-T80 PolarHBondContact O-OG1 2.74Å; L76-I144 HydrophobicContact CD1-CD1 3.91Å; L76-I144 HydrophobicContact CD1-CG1 4.31Å; L76-I144 HydrophobicContact CD1-CG2 3.9Å; L76-I238 HydrophobicContact CB-CD1 4.04Å; L76-I238 HydrophobicContact CB-CG1 4.41Å; L76-I238 HydrophobicContact CD1-CD1 4Å; L76-I238 HydrophobicContact CD1-CG1 4.42Å; L76-I238 HydrophobicContact CD1-CG2 4.48Å; L76-Y295 HydrophobicContact CB-CD1 4.42Å; L76-Y295 HydrophobicContact CB-CE1 4.49Å; L76-S296 VanDerWaalsContact CB-OG 3.26Å; L76-S296 WeakPolarHBondContact CB-OG 3.44Å; L76-T299 HydrophobicContact CD2-CG2 3.98Å
77S98.1Very high97.7Very high59 Ų5952.2 Ų52.241%0.41327%0.273SS..Hα-helixtrans-60.2-47177.8-170.50000111.9G75 A81G75-S77 VanDerWaalsContact C-N 3.27Å; G75-S77 PolarHBondContact O-N 2.85Å; S77-A81 WeakPolarHBondContact O-CB 3.18Å; S77-A81 PolarHBondContact O-N 3.09Å
78E98.3Very high97.7Very high110 Ų11049.9 Ų49.951%0.51426%0.263SS..Hα-helixtrans-69.7-45.2-178-61.5172.1152.200111L74 G75 T80 A81 K82L74-E78 HydrophobicContact CB-CB 4.41Å; L74-E78 HydrophobicContact CD2-CB 4.19Å; G75-E78 PolarHBondContact N-OE2 2.91Å; G75-E78 VanDerWaalsContact N-OE2 3.15Å; G75-E78 PolarHBondContact O-N 3.29Å; G75-E78 VanDerWaalsContact O-N 3.16Å; E78-T80 VanDerWaalsContact C-N 3.33Å; E78-T80 PolarHBondContact O-N 2.89Å; E78-A81 PolarHBondContact O-N 3.42Å; E78-K82 WeakPolarHBondContact O-CG 3.21Å; E78-K82 PolarHBondContact O-N 3.3Å
79L98.7Very high97.7Very high0 Ų052.6 Ų52.60%028%0.278CS..Hα-helixtrans-59.3-46.3176.8-177.162.7000111I71 L74 G75 K82 L83 L88 V93 Y97 I144 I238I71-L79 HydrophobicContact CG2-CD1 4.18Å; L74-L79 HydrophobicContact CB-CB 4.19Å; L74-L79 HydrophobicContact CD1-CB 4.45Å; L74-L79 HydrophobicContact CD1-CD1 4Å; G75-L79 WeakPolarHBondContact O-CB 3.36Å; G75-L79 PolarHBondContact O-N 3.44Å; L79-K82 PolarHBondContact O-N 3.5Å; L79-L83 HydrophobicContact CD1-CD1 4.17Å; L79-L83 HydrophobicContact CG-CD1 3.9Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 WeakPolarHBondContact O-CD1 3.03Å; L79-L83 WeakPolarHBondContact O-CG 3.5Å; L79-L83 PolarHBondContact O-N 3.07Å; L79-L88 HydrophobicContact CD1-CD1 3.93Å; L79-V93 HydrophobicContact CD1-CB 4.48Å; L79-V93 HydrophobicContact CD1-CG1 3.89Å; L79-V93 HydrophobicContact CD1-CG2 3.69Å; L79-V93 HydrophobicContact CD2-CG1 3.9Å; L79-V93 HydrophobicContact CG-CG1 4.34Å; L79-Y97 HydrophobicContact CD2-CE2 4.06Å; L79-I144 HydrophobicContact CD2-CD1 3.93Å; L79-I144 HydrophobicContact CG-CD1 4.02Å; L79-I238 HydrophobicContact CB-CD1 4.2Å; L79-I238 HydrophobicContact CD2-CD1 3.49Å; L79-I238 VanDerWaalsContact CD2-CD1 3.49Å; L79-I238 HydrophobicContact CG-CD1 4.49Å
80T98.4Very high97.8Very high28 Ų2847.9 Ų47.917%0.17226%0.261CS..Hα-helixtrans-60.1-48.4176.1-56.20000110.2L76 E78 K82 L83 Q84L76-T80 VanDerWaalsContact O-CB 3.23Å; L76-T80 WeakPolarHBondContact O-CB 3.39Å; L76-T80 PolarHBondContact O-N 3.28Å; L76-T80 PolarHBondContact O-OG1 2.74Å; E78-T80 VanDerWaalsContact C-N 3.33Å; E78-T80 PolarHBondContact O-N 2.89Å; T80-K82 VanDerWaalsContact C-N 3.32Å; T80-K82 PolarHBondContact O-N 3.25Å; T80-L83 PolarHBondContact O-N 3.17Å; T80-Q84 HydrophobicContact CG2-CG 4.05Å; T80-Q84 WeakPolarHBondContact O-CB 3.41Å; T80-Q84 WeakPolarHBondContact O-CG 3.42Å; T80-Q84 PolarHBondContact O-N 2.73Å
81A98.2Very high97.8Very high57 Ų5744.4 Ų44.447%0.47124%0.243SC..Hα-helixtrans-57-44.2179.200000112.4S77 E78 Q84 S85S77-A81 WeakPolarHBondContact O-CB 3.18Å; S77-A81 PolarHBondContact O-N 3.09Å; E78-A81 PolarHBondContact O-N 3.42Å; A81-Q84 PolarHBondContact O-N 2.93Å; A81-S85 PolarHBondContact O-N 2.93Å; A81-S85 PolarHBondContact O-OG 3.41Å
82K98.4Very high97.8Very high54 Ų5445.5 Ų45.524%0.23525%0.249CC..Hα-helixtrans-67.9-35.6179.2-69.9-175.1179.5-70.80113.7L74 E78 L79 T80 S85 E86 E87 L88L74-K82 HydrophobicContact CD1-CD 3.86Å; E78-K82 WeakPolarHBondContact O-CG 3.21Å; E78-K82 PolarHBondContact O-N 3.3Å; L79-K82 PolarHBondContact O-N 3.5Å; T80-K82 VanDerWaalsContact C-N 3.32Å; T80-K82 PolarHBondContact O-N 3.25Å; K82-S85 PolarHBondContact O-OG 2.95Å; K82-E86 PolarHBondContact O-N 3.08Å; K82-E87 HydrophobicContact CB-CB 4.22Å; K82-E87 HydrophobicContact CG-CB 4.45Å; K82-E87 WeakPolarHBondContact CG-OE2 3.44Å; K82-E87 IonicContact NZ-OE1 3.46Å; K82-E87 PolarHBondContact NZ-OE1 3.25Å; K82-E87 IonicContact NZ-OE2 3.81Å; K82-E87 PolarHBondContact NZ-OE2 2.96Å; K82-E87 PolarHBondContact O-N 3.5Å; K82-L88 HydrophobicContact CB-CB 4.29Å; K82-L88 HydrophobicContact CB-CD1 3.82Å; K82-L88 HydrophobicContact CB-CG 3.95Å; K82-L88 HydrophobicContact CD-CD1 3.88Å; K82-L88 HydrophobicContact CD-CG 4.3Å; K82-L88 PolarHBondContact O-N 2.96Å; K82-L88 VanDerWaalsContact O-N 3.17Å
83L98.2Very high97.8Very high0 Ų044.9 Ų44.90%025%0.246CC..Hα-helixtrans-68.9-40.3172.3-77.9160.2000111.5L79 T80 S85 E86 L88 P90 V93 K138 Y142 I144L79-L83 HydrophobicContact CD1-CD1 4.17Å; L79-L83 HydrophobicContact CG-CD1 3.9Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 WeakPolarHBondContact O-CD1 3.03Å; L79-L83 WeakPolarHBondContact O-CG 3.5Å; L79-L83 PolarHBondContact O-N 3.07Å; T80-L83 PolarHBondContact O-N 3.17Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 2.75Å; L83-E86 PolarHBondContact O-N 3.14Å; L83-L88 HydrophobicContact CD2-CB 4.48Å; L83-P90 HydrophobicContact CD2-CG 4.25Å; L83-V93 HydrophobicContact CD1-CG1 4.5Å; L83-V93 HydrophobicContact CD1-CG2 4.18Å; L83-V93 HydrophobicContact CD2-CB 4.48Å; L83-V93 HydrophobicContact CD2-CG2 3.82Å; L83-V93 HydrophobicContact CG-CG2 4.13Å; L83-K138 PolarHBondContact O-NZ 2.8Å; L83-Y142 HydrophobicContact CB-CD1 4.12Å; L83-Y142 WeakPolarHBondContact CD1-O 3.36Å; L83-I144 HydrophobicContact CD1-CD1 3.58Å; L83-I144 HydrophobicContact CD1-CG1 4.44Å
84Q97.1Very high97.8Very high65 Ų6538 Ų3830%0.30421%0.214SC..Hα-helixtrans-64.7-38.8177.5-67.3-66-23.800111.6T80 A81 K138 P139T80-Q84 HydrophobicContact CG2-CG 4.05Å; T80-Q84 WeakPolarHBondContact O-CB 3.41Å; T80-Q84 WeakPolarHBondContact O-CG 3.42Å; T80-Q84 PolarHBondContact O-N 2.73Å; A81-Q84 PolarHBondContact O-N 2.93Å; Q84-K138 PolarHBondContact O-NZ 3.09Å; Q84-P139 PolarHBondContact NE2-O 3.28Å; Q84-P139 VanDerWaalsContact NE2-O 3.08Å
85S95.8Very high97.9Very high69 Ų6938.3 Ų38.348%0.48321%0.214SC..THydrogen-bonded Turntrans-83.7-1.8178.2700000115.2A81 K82 L83 E87A81-S85 PolarHBondContact O-N 2.93Å; A81-S85 PolarHBondContact O-OG 3.41Å; K82-S85 PolarHBondContact O-OG 2.95Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 2.75Å; S85-E87 PolarHBondContact O-N 3.01Å
86E95.2Very high97.9Very high56 Ų5637.3 Ų37.326%0.26220%0.204SC..THydrogen-bonded Turntrans62.122.2-174.7-49.5-172.5-178.300113.9K82 L83 L88 Q133 H134 K138K82-E86 PolarHBondContact O-N 3.08Å; L83-E86 PolarHBondContact O-N 3.14Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-Q133 VanDerWaalsContact CD-N 3.34Å; E86-Q133 PolarHBondContact OE1-N 3.43Å; E86-Q133 WeakPolarHBondContact OE2-CA 3.44Å; E86-Q133 PolarHBondContact OE2-N 2.86Å; E86-H134 PolarHBondContact OE1-N 2.9Å; E86-K138 WeakPolarHBondContact OE1-CE 3.45Å; E86-K138 IonicContact OE1-NZ 2.82Å; E86-K138 PolarHBondContact OE1-NZ 3.4Å
87E96.6Very high97.9Very high119 Ų11937.2 Ų37.256%0.55620%0.203SC*.SBendtrans-71.4-33168.4-167.9-167143.800110.6K82 S85K82-E87 HydrophobicContact CB-CB 4.22Å; K82-E87 HydrophobicContact CG-CB 4.45Å; K82-E87 WeakPolarHBondContact CG-OE2 3.44Å; K82-E87 IonicContact NZ-OE1 3.46Å; K82-E87 PolarHBondContact NZ-OE1 3.25Å; K82-E87 IonicContact NZ-OE2 3.81Å; K82-E87 PolarHBondContact NZ-OE2 2.96Å; K82-E87 PolarHBondContact O-N 3.5Å; S85-E87 PolarHBondContact O-N 3.01Å
88L97.5Very high97.9Very high14 Ų1434.6 Ų34.67%0.07319%0.185CC..SBendtrans-121146171.6-65.9176.5000109.9I71 L74 L79 K82 L83 E86 V93I71-L88 HydrophobicContact CD1-CD2 3.97Å; I71-L88 HydrophobicContact CG1-CD1 3.97Å; I71-L88 HydrophobicContact CG1-CD2 4.04Å; L74-L88 HydrophobicContact CD1-CD1 3.89Å; L79-L88 HydrophobicContact CD1-CD1 3.93Å; K82-L88 HydrophobicContact CB-CB 4.29Å; K82-L88 HydrophobicContact CB-CD1 3.82Å; K82-L88 HydrophobicContact CB-CG 3.95Å; K82-L88 HydrophobicContact CD-CD1 3.88Å; K82-L88 HydrophobicContact CD-CG 4.3Å; K82-L88 PolarHBondContact O-N 2.96Å; K82-L88 VanDerWaalsContact O-N 3.17Å; L83-L88 HydrophobicContact CD2-CB 4.48Å; E86-L88 VanDerWaalsContact C-N 3.3Å; L88-V93 HydrophobicContact CB-CG2 4.04Å; L88-V93 HydrophobicContact CD1-CG2 4.19Å
89L97.7Very high97.9Very high69 Ų6930.4 Ų30.436%0.36116%0.164SC..  trans-97.1147.8174.3-60177.5000111.2T91 D92 V93 E128L89-T91 PolarHBondContact O-N 2.97Å; L89-D92 HydrophobicContact CB-CB 4.45Å; L89-D92 PolarHBondContact N-OD2 3.01Å; L89-D92 WeakPolarHBondContact O-CB 3.49Å; L89-D92 PolarHBondContact O-N 3.33Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.4Å; L89-E128 WeakPolarHBondContact CB-OE1 3.45Å
90P98.6Very high97.8Very high1 Ų132.7 Ų32.71%0.00617%0.173CC..Hα-helixtrans-46.2-43171.1-32.335000114.8L83 V93 L94 A124 L127 E128 Y142L83-P90 HydrophobicContact CD2-CG 4.25Å; P90-V93 PolarHBondContact O-N 2.88Å; P90-L94 WeakPolarHBondContact O-CB 3.5Å; P90-L94 PolarHBondContact O-N 3.39Å; P90-A124 HydrophobicContact CB-CB 4.1Å; P90-L127 HydrophobicContact CB-CB 4.44Å; P90-L127 HydrophobicContact CG-CB 4.19Å; P90-E128 HydrophobicContact CB-CG 4.16Å; P90-E128 HydrophobicContact CG-CG 3.78Å; P90-Y142 HydrophobicContact CG-CD1 4.43Å; P90-Y142 HydrophobicContact CG-CE1 3.73Å; P90-Y142 HydrophobicContact CG-CE2 4.03Å; P90-Y142 VanDerWaalsContact CG-CZ 3.49Å
91T98.3Very high97.8Very high18 Ų1831.5 Ų31.511%0.1117%0.166CC..Hα-helixtrans-64.9-47.2177.748.60000112L89 V93 L94 H95 A124 E128L89-T91 PolarHBondContact O-N 2.97Å; T91-V93 VanDerWaalsContact C-N 3.25Å; T91-V93 PolarHBondContact O-N 2.78Å; T91-L94 PolarHBondContact O-N 3.18Å; T91-H95 WeakPolarHBondContact O-CB 3.44Å; T91-H95 PolarHBondContact O-CD2 3.31Å; T91-H95 PolarHBondContact O-N 3.48Å; T91-A124 HydrophobicContact CG2-CB 3.99Å; T91-E128 VanDerWaalsContact CB-OE1 3.23Å; T91-E128 WeakPolarHBondContact CB-OE1 3.44Å; T91-E128 WeakPolarHBondContact CG2-OE1 3.39Å; T91-E128 PolarHBondContact N-OE1 3.26Å; T91-E128 PolarHBondContact OG1-OE1 3.03Å
92D97.8Very high97.7Very high26 Ų2630 Ų3014%0.13915%0.15CC..Hα-helixtrans-54.7-44.3175.3-67.9-45.6000111.9K67 I71 L89 A96K67-D92 WeakPolarHBondContact CE-OD2 3.4Å; K67-D92 IonicContact NZ-OD1 2.99Å; K67-D92 PolarHBondContact NZ-OD1 3.18Å; K67-D92 IonicContact NZ-OD2 3.28Å; K67-D92 PolarHBondContact NZ-OD2 2.91Å; I71-D92 HydrophobicContact CD1-CB 4.26Å; L89-D92 HydrophobicContact CB-CB 4.45Å; L89-D92 PolarHBondContact N-OD2 3.01Å; L89-D92 WeakPolarHBondContact O-CB 3.49Å; L89-D92 PolarHBondContact O-N 3.33Å; D92-A96 WeakPolarHBondContact O-CB 3.39Å; D92-A96 PolarHBondContact O-N 3.07Å
93V98.7Very high97.5Very high0 Ų030.8 Ų30.80%015%0.153CC..Hα-helixtrans-68.5-46.9-179.8175.80000110.6I71 L79 L83 L88 L89 P90 T91 H95 A96 Y97 P145I71-V93 HydrophobicContact CG2-CB 4.47Å; I71-V93 HydrophobicContact CG2-CG1 4.29Å; I71-V93 HydrophobicContact CG2-CG2 4.21Å; L79-V93 HydrophobicContact CD1-CB 4.48Å; L79-V93 HydrophobicContact CD1-CG1 3.89Å; L79-V93 HydrophobicContact CD1-CG2 3.69Å; L79-V93 HydrophobicContact CD2-CG1 3.9Å; L79-V93 HydrophobicContact CG-CG1 4.34Å; L83-V93 HydrophobicContact CD1-CG1 4.5Å; L83-V93 HydrophobicContact CD1-CG2 4.18Å; L83-V93 HydrophobicContact CD2-CB 4.48Å; L83-V93 HydrophobicContact CD2-CG2 3.82Å; L83-V93 HydrophobicContact CG-CG2 4.13Å; L88-V93 HydrophobicContact CB-CG2 4.04Å; L88-V93 HydrophobicContact CD1-CG2 4.19Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.4Å; P90-V93 PolarHBondContact O-N 2.88Å; T91-V93 VanDerWaalsContact C-N 3.25Å; T91-V93 PolarHBondContact O-N 2.78Å; V93-H95 VanDerWaalsContact C-N 3.33Å; V93-H95 PolarHBondContact O-N 3.41Å; V93-A96 PolarHBondContact O-N 3.45Å; V93-Y97 HydrophobicContact CG1-CD2 4.05Å; V93-Y97 HydrophobicContact CG1-CE2 4.06Å; V93-Y97 WeakPolarHBondContact O-CD2 3.47Å; V93-Y97 PolarHBondContact O-N 3.16Å; V93-P145 HydrophobicContact CG1-CG 3.95Å
94L98.8Very high97.3Very high2 Ų230.8 Ų30.81%0.0115%0.153CC..Hα-helixtrans-55.9-48.9175.4175.264.5000111.3P90 T91 A96 Y97 Q98 A120 A124 V187 F189P90-L94 WeakPolarHBondContact O-CB 3.5Å; P90-L94 PolarHBondContact O-N 3.39Å; T91-L94 PolarHBondContact O-N 3.18Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.29Å; L94-Y97 PolarHBondContact O-N 3.16Å; L94-Q98 HydrophobicContact CD1-CG 3.91Å; L94-Q98 HydrophobicContact CG-CG 4.23Å; L94-Q98 WeakPolarHBondContact O-CB 3.38Å; L94-Q98 WeakPolarHBondContact O-CG 3.35Å; L94-Q98 PolarHBondContact O-N 2.79Å; L94-A120 HydrophobicContact CD1-CB 4.05Å; L94-A120 VanDerWaalsContact CD2-C 3.44Å; L94-A120 HydrophobicContact CD2-CB 3.99Å; L94-A120 WeakPolarHBondContact CD2-O 3.5Å; L94-A124 HydrophobicContact CB-CB 4.34Å; L94-A124 HydrophobicContact CD2-CB 3.77Å; L94-V187 HydrophobicContact CD1-CG1 4.1Å; L94-V187 HydrophobicContact CD2-CG1 4.39Å; L94-F189 HydrophobicContact CD1-CB 3.53Å; L94-F189 HydrophobicContact CD1-CG 4.28Å
95H98.4Very high96.8Very high35 Ų3530.3 Ų30.316%0.16216%0.157CC..Hα-helixtrans-60.3-40.4179.9-69.8175.9000111.7L57 T91 V93 W99 E121L57-H95 HydrophobicContact CD2-CB 3.66Å; T91-H95 WeakPolarHBondContact O-CB 3.44Å; T91-H95 PolarHBondContact O-CD2 3.31Å; T91-H95 PolarHBondContact O-N 3.48Å; V93-H95 VanDerWaalsContact C-N 3.33Å; V93-H95 PolarHBondContact O-N 3.41Å; H95-W99 WeakPolarHBondContact O-CB 3.4Å; H95-W99 PolarHBondContact O-N 2.91Å; H95-E121 IonicContact CD2-OE2 3.91Å; H95-E121 PolarHBondContact CD2-OE2 3.06Å; H95-E121 IonicContact CE1-OE1 3.93Å; H95-E121 IonicContact NE2-OE1 3.88Å; H95-E121 PolarHBondContact NE2-OE1 3.49Å; H95-E121 IonicContact NE2-OE2 3.2Å; H95-E121 PolarHBondContact NE2-OE2 3.25Å
96A98.5Very high96.4Very high0 Ų032.6 Ų32.60%016%0.164CC..Hα-helixtrans-61-45.2176.600000112.3R68 I71 I72 D92 V93 L94 R100R68-A96 HydrophobicContact CB-CB 4.04Å; R68-A96 HydrophobicContact CG-CB 4.08Å; I71-A96 HydrophobicContact CB-CB 3.76Å; I71-A96 HydrophobicContact CD1-CB 4.06Å; I71-A96 HydrophobicContact CG2-CB 3.59Å; I72-A96 HydrophobicContact CG2-CB 4.07Å; D92-A96 WeakPolarHBondContact O-CB 3.39Å; D92-A96 PolarHBondContact O-N 3.07Å; V93-A96 PolarHBondContact O-N 3.45Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.29Å; A96-R100 WeakPolarHBondContact O-CB 3.33Å; A96-R100 PolarHBondContact O-N 3.43Å
97Y98.7Very high96.2Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-74.5-39.2179.3-78.8-81.3000113I71 I72 L79 V93 L94 R100 A101 P145 I238I71-Y97 HydrophobicContact CG2-CE2 4.17Å; I72-Y97 HydrophobicContact CB-CE1 4.47Å; I72-Y97 HydrophobicContact CG2-CD1 4.25Å; I72-Y97 HydrophobicContact CG2-CE1 4.23Å; I72-Y97 HydrophobicContact CG2-CG 4.4Å; L79-Y97 HydrophobicContact CD2-CE2 4.06Å; V93-Y97 HydrophobicContact CG1-CD2 4.05Å; V93-Y97 HydrophobicContact CG1-CE2 4.06Å; V93-Y97 WeakPolarHBondContact O-CD2 3.47Å; V93-Y97 PolarHBondContact O-N 3.16Å; L94-Y97 PolarHBondContact O-N 3.16Å; Y97-R100 PolarHBondContact O-N 2.97Å; Y97-A101 VanDerWaalsContact O-CB 3.23Å; Y97-A101 WeakPolarHBondContact O-CB 3.44Å; Y97-A101 PolarHBondContact O-N 3.38Å; Y97-P145 HydrophobicContact CD2-CB 4.43Å; Y97-P145 HydrophobicContact CD2-CG 3.28Å; Y97-P145 HydrophobicContact CE2-CG 3.85Å; Y97-P145 HydrophobicContact CG-CB 4.49Å; Y97-P145 HydrophobicContact CG-CG 3.69Å; Y97-I238 HydrophobicContact CE1-CB 3.96Å; Y97-I238 WeakPolarHBondContact OH-CB 3.36Å
98Q98.3Very high95.9Very high4 Ų431.4 Ų31.42%0.01916%0.162CC..Hα-helixtrans-61.2-45.5172.6-77175.9-3100111.5L53 L57 L94 R100 A101 L102 F189L53-Q98 HydrophobicContact CD2-CB 4.09Å; L53-Q98 HydrophobicContact CD2-CG 4.12Å; L57-Q98 HydrophobicContact CD1-CB 3.58Å; L94-Q98 HydrophobicContact CD1-CG 3.91Å; L94-Q98 HydrophobicContact CG-CG 4.23Å; L94-Q98 WeakPolarHBondContact O-CB 3.38Å; L94-Q98 WeakPolarHBondContact O-CG 3.35Å; L94-Q98 PolarHBondContact O-N 2.79Å; Q98-R100 VanDerWaalsContact C-N 3.35Å; Q98-R100 PolarHBondContact O-N 3.21Å; Q98-A101 PolarHBondContact O-N 3.49Å; Q98-L102 WeakPolarHBondContact O-CB 3.42Å; Q98-L102 WeakPolarHBondContact O-CG 3.43Å; Q98-L102 PolarHBondContact O-N 2.95Å; Q98-F189 HydrophobicContact CG-CD2 3.96Å
99W97.2Very high95.5Very high21 Ų2133.2 Ų33.28%0.0818%0.183CC..Hα-helixtrans-57.9-46.9175.6166.383.8000111.5L57 L65 R68 R69 I72 H95 K103L57-W99 HydrophobicContact CD1-CB 4.27Å; L65-W99 HydrophobicContact CD2-CZ2 4.29Å; R68-W99 HydrophobicContact CB-CD2 4.28Å; R68-W99 HydrophobicContact CB-CE3 3.91Å; R68-W99 HydrophobicContact CB-CZ3 4.17Å; R69-W99 HydrophobicContact CG-CH2 3.77Å; R69-W99 HydrophobicContact CG-CZ3 4.3Å; I72-W99 HydrophobicContact CD1-CZ3 3.98Å; H95-W99 WeakPolarHBondContact O-CB 3.4Å; H95-W99 PolarHBondContact O-N 2.91Å; W99-K103 HydrophobicContact CD2-CD 4.32Å; W99-K103 HydrophobicContact CZ2-CD 3.86Å; W99-K103 VanDerWaalsContact NE1-CE 3.32Å; W99-K103 WeakPolarHBondContact O-CG 3.46Å; W99-K103 PolarHBondContact O-N 2.9Å
100R97.5Very high95.3Very high48 Ų4830 Ų3018%0.18117%0.167CC..Hα-helixtrans-63.2-51.2178.3-178.455.6176.7162.94.7110.5I72 A96 Y97 Q98 L102 K103 L104 E107 L234 A235I72-R100 HydrophobicContact CD1-CB 4.11Å; I72-R100 HydrophobicContact CD1-CG 3.81Å; I72-R100 HydrophobicContact CG2-CB 4.14Å; A96-R100 WeakPolarHBondContact O-CB 3.33Å; A96-R100 PolarHBondContact O-N 3.43Å; Y97-R100 PolarHBondContact O-N 2.97Å; Q98-R100 VanDerWaalsContact C-N 3.35Å; Q98-R100 PolarHBondContact O-N 3.21Å; R100-L102 VanDerWaalsContact C-N 3.33Å; R100-L102 PolarHBondContact O-N 3.19Å; R100-K103 PolarHBondContact O-N 3.33Å; R100-K103 VanDerWaalsContact O-N 3.1Å; R100-L104 HydrophobicContact CG-CD2 4.48Å; R100-L104 WeakPolarHBondContact O-CG 3.42Å; R100-L104 PolarHBondContact O-N 3.25Å; R100-L104 VanDerWaalsContact O-N 3.1Å; R100-E107 IonicContact CZ-OE2 3.46Å; R100-E107 IonicContact NH1-OE2 3.09Å; R100-E107 PolarHBondContact NH1-OE2 2.9Å; R100-L234 PolarHBondContact NE-O 3.28Å; R100-L234 PolarHBondContact NH2-O 2.67Å; R100-L234 VanDerWaalsContact NH2-O 3.16Å; R100-A235 WeakPolarHBondContact CG-O 3.23Å
101A98Very high95.2Very high4 Ų432.2 Ų32.23%0.03318%0.178CC..Hα-helixtrans-58.1-40.5-178.600000113.2Y97 Q98 L104 V113 F116 F189 L231Y97-A101 VanDerWaalsContact O-CB 3.23Å; Y97-A101 WeakPolarHBondContact O-CB 3.44Å; Y97-A101 PolarHBondContact O-N 3.38Å; Q98-A101 PolarHBondContact O-N 3.49Å; A101-L104 PolarHBondContact O-N 3.14Å; A101-V113 HydrophobicContact CB-CG2 4.3Å; A101-F116 HydrophobicContact CB-CE1 3.79Å; A101-F116 HydrophobicContact CB-CZ 4.01Å; A101-F189 HydrophobicContact CB-CE2 4.04Å; A101-L231 HydrophobicContact CB-CD1 4Å
102L96.1Very high95.2Very high25 Ų2531.5 Ų31.513%0.13117%0.174CC..Hα-helixtrans-60.5-44.3174.1-82.1169.8000112.1A50 L53 K54 L57 Q98 R100 L104 F116A50-L102 HydrophobicContact CB-CD2 4.04Å; L53-L102 HydrophobicContact CB-CD1 4.19Å; L53-L102 HydrophobicContact CD2-CD1 3.97Å; L53-L102 HydrophobicContact CD2-CG 4.26Å; L53-L102 HydrophobicContact CG-CD1 3.79Å; K54-L102 HydrophobicContact CB-CD1 4.17Å; L57-L102 HydrophobicContact CD1-CD1 4.12Å; Q98-L102 WeakPolarHBondContact O-CB 3.42Å; Q98-L102 WeakPolarHBondContact O-CG 3.43Å; Q98-L102 PolarHBondContact O-N 2.95Å; R100-L102 VanDerWaalsContact C-N 3.33Å; R100-L102 PolarHBondContact O-N 3.19Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 2.67Å; L102-F116 HydrophobicContact CB-CZ 4.48Å; L102-F116 HydrophobicContact CD2-CD2 4.23Å; L102-F116 HydrophobicContact CD2-CE2 3.49Å; L102-F116 VanDerWaalsContact CD2-CE2 3.49Å; L102-F116 HydrophobicContact CD2-CZ 3.76Å; L102-F116 HydrophobicContact CG-CE1 4.4Å; L102-F116 HydrophobicContact CG-CE2 4.04Å; L102-F116 HydrophobicContact CG-CZ 3.76Å
103K94.6Very high95.2Very high71 Ų7131.5 Ų31.531%0.30918%0.175SC..Hα-helixtrans-69-30.3-178.2-78.7-174.6161.4-160.30113.6W99 R100 S105 D106 E107W99-K103 HydrophobicContact CD2-CD 4.32Å; W99-K103 HydrophobicContact CZ2-CD 3.86Å; W99-K103 VanDerWaalsContact NE1-CE 3.32Å; W99-K103 WeakPolarHBondContact O-CG 3.46Å; W99-K103 PolarHBondContact O-N 2.9Å; R100-K103 PolarHBondContact O-N 3.33Å; R100-K103 VanDerWaalsContact O-N 3.1Å; K103-S105 VanDerWaalsContact C-N 3.3Å; K103-S105 PolarHBondContact O-N 2.8Å; K103-D106 PolarHBondContact O-N 2.87Å; K103-E107 HydrophobicContact CB-CG 4.35Å; K103-E107 WeakPolarHBondContact CD-OE1 3.16Å; K103-E107 WeakPolarHBondContact O-CB 3.36Å; K103-E107 VanDerWaalsContact O-CG 3.3Å; K103-E107 WeakPolarHBondContact O-CG 3.38Å; K103-E107 PolarHBondContact O-N 3.47Å
104L94.8Very high95.1Very high0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-57.5-41.2-174.1-69.5-175.6000113.2R100 A101 L102 T108 S110 L231 L234R100-L104 HydrophobicContact CG-CD2 4.48Å; R100-L104 WeakPolarHBondContact O-CG 3.42Å; R100-L104 PolarHBondContact O-N 3.25Å; R100-L104 VanDerWaalsContact O-N 3.1Å; A101-L104 PolarHBondContact O-N 3.14Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 2.67Å; L104-T108 WeakPolarHBondContact O-CB 3.29Å; L104-T108 PolarHBondContact O-N 3.03Å; L104-T108 PolarHBondContact O-OG1 3.23Å; L104-S110 PolarHBondContact O-OG 2.64Å; L104-L231 HydrophobicContact CD1-CD1 3.66Å; L104-L234 HydrophobicContact CD1-CB 3.64Å; L104-L234 HydrophobicContact CD1-CD1 4.18Å; L104-L234 HydrophobicContact CD2-CB 3.59Å; L104-L234 HydrophobicContact CD2-CD1 4.11Å; L104-L234 HydrophobicContact CD2-CG 4.39Å; L104-L234 HydrophobicContact CG-CB 4.24Å
105S86.1Confident95Very high55 Ų5532 Ų3239%0.38518%0.178SC..Hα-helixtrans-64.9-44.9-179.4-166.50000111.2K103 G109K103-S105 VanDerWaalsContact C-N 3.3Å; K103-S105 PolarHBondContact O-N 2.8Å; S105-G109 VanDerWaalsContact O-CA 3.23Å; S105-G109 WeakPolarHBondContact O-CA 3.33Å; S105-G109 PolarHBondContact O-N 3.38Å
106D88.1Confident95Very high116 Ų11631.1 Ų31.162%0.6217%0.173SC*.Hα-helixtrans-67.3-41.1178.8-68.1-10.4000111.7K54 K103K54-D106 IonicContact NZ-OD2 2.72Å; K54-D106 PolarHBondContact NZ-OD2 2.93Å; K103-D106 PolarHBondContact O-N 2.87Å
107E90.3Very high95Very high105 Ų10531.2 Ų31.249%0.49117%0.174SC..Hα-helixtrans-76.3-33.9-176.1-71.8175.9-179.400113.5R100 K103R100-E107 IonicContact CZ-OE2 3.46Å; R100-E107 IonicContact NH1-OE2 3.09Å; R100-E107 PolarHBondContact NH1-OE2 2.9Å; K103-E107 HydrophobicContact CB-CG 4.35Å; K103-E107 WeakPolarHBondContact CD-OE1 3.16Å; K103-E107 WeakPolarHBondContact O-CB 3.36Å; K103-E107 VanDerWaalsContact O-CG 3.3Å; K103-E107 WeakPolarHBondContact O-CG 3.38Å; K103-E107 PolarHBondContact O-N 3.47Å
108T88.8Confident94.9Very high46 Ų4637.2 Ų37.228%0.28220%0.202SC..Hα-helixtrans-124.6-12.7-167.668.80000114.3L104 S110 L234L104-T108 WeakPolarHBondContact O-CB 3.29Å; L104-T108 PolarHBondContact O-N 3.03Å; L104-T108 PolarHBondContact O-OG1 3.23Å; T108-S110 PolarHBondContact O-N 3.02Å; T108-S110 WeakPolarHBondContact OG1-CB 3.48Å; T108-S110 PolarHBondContact OG1-N 2.75Å; T108-S110 PolarHBondContact OG1-OG 3.35Å; T108-L234 HydrophobicContact CG2-CD1 4.33Å
109G90.2Very high94.9Very high51 Ų5140.2 Ų40.253%0.52622%0.216SC..  trans6419.2-169.500000113.5S105 N111S105-G109 VanDerWaalsContact O-CA 3.23Å; S105-G109 WeakPolarHBondContact O-CA 3.33Å; S105-G109 PolarHBondContact O-N 3.38Å; G109-N111 PolarHBondContact O-N 3.15Å
110S93.9Very high95Very high2 Ų239.2 Ų39.21%0.01421%0.212CC..  trans-66.1-34-171.254.10000114.4L104 T108 C112 T211 A212L104-S110 PolarHBondContact O-OG 2.64Å; T108-S110 PolarHBondContact O-N 3.02Å; T108-S110 WeakPolarHBondContact OG1-CB 3.48Å; T108-S110 PolarHBondContact OG1-N 2.75Å; T108-S110 PolarHBondContact OG1-OG 3.35Å; S110-C112 VanDerWaalsContact C-N 3.35Å; S110-C112 PolarHBondContact O-N 3.16Å; S110-T211 CarbonylContact O-C 3.5Å; S110-T211 WeakPolarHBondContact O-CA 3.44Å; S110-T211 WeakPolarHBondContact O-CG2 3.12Å; S110-A212 PolarHBondContact O-N 3.32Å
111N96.5Very high95Very high47 Ų4740.3 Ų40.325%0.25122%0.219SC..  trans49.151.9179-175.640.1000112.9G109 Y208 R210 T211G109-N111 PolarHBondContact O-N 3.15Å; N111-Y208 PolarHBondContact ND2-O 2.88Å; N111-R210 WeakPolarHBondContact CB-O 3.49Å; N111-R210 PolarHBondContact ND2-O 2.82Å; N111-T211 WeakPolarHBondContact O-CB 3.3Å; N111-T211 PolarHBondContact O-OG1 3.44Å
112C97.8Very high95Very high3 Ų342.9 Ų42.92%0.0224%0.237CC..  trans-96.3-29.5-175.754.50000114.1S110 T192 N193 T211 G227 T230 L231S110-C112 VanDerWaalsContact C-N 3.35Å; S110-C112 PolarHBondContact O-N 3.16Å; C112-T192 CarbonylContact O-C 3.25Å; C112-T192 VanDerWaalsContact O-CA 3.27Å; C112-T192 WeakPolarHBondContact O-CA 3.35Å; C112-T192 WeakPolarHBondContact O-CB 3.46Å; C112-N193 PolarHBondContact O-N 3.38Å; C112-T211 HydrophobicContact CB-CG2 3.78Å; C112-G227 WeakPolarHBondContact CB-O 3.24Å; C112-T230 HydrophobicContact CB-CG2 4Å; C112-L231 HydrophobicContact CB-CB 4.39Å
113V98.1Very high95.2Very high26 Ų2644.2 Ų44.216%0.15824%0.241CC..EExtended strand (participates in β ladder)trans-92.6130.6175.5178.70000109.4A101 F116 A190 L231A101-V113 HydrophobicContact CB-CG2 4.3Å; V113-F116 HydrophobicContact CB-CZ 4.4Å; V113-F116 HydrophobicContact CG1-CD1 4.38Å; V113-F116 HydrophobicContact CG1-CD2 4.15Å; V113-F116 HydrophobicContact CG1-CE1 4.11Å; V113-F116 HydrophobicContact CG1-CE2 3.85Å; V113-F116 HydrophobicContact CG1-CG 4.41Å; V113-F116 HydrophobicContact CG1-CZ 3.83Å; V113-F116 HydrophobicContact CG2-CZ 4.49Å; V113-A190 HydrophobicContact CG1-CB 4.03Å; V113-A190 HydrophobicContact CG2-CB 4.47Å; V113-L231 HydrophobicContact CG2-CD1 3.88Å; V113-L231 HydrophobicContact CG2-CD2 4.01Å
114V96.9Very high95.3Very high8 Ų840.9 Ų40.95%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-108.2-18.5179-60.30000113.3C46 E150 Q191 N193 Y208C46-V114 PolarHBondContact SG-O 2.81Å; V114-E150 HydrophobicContact CG2-CB 4.24Å; V114-E150 HydrophobicContact CG2-CG 4.2Å; V114-Q191 HydrophobicContact CG2-CB 4.07Å; V114-Q191 WeakPolarHBondContact CG2-O 3.33Å; V114-Q191 PolarHBondContact N-O 3.27Å; V114-N193 VanDerWaalsContact CG1-CA 3.5Å; V114-N193 HydrophobicContact CG1-CB 3.49Å; V114-N193 VanDerWaalsContact CG1-CB 3.49Å; V114-Y208 HydrophobicContact CB-CD1 3.72Å; V114-Y208 HydrophobicContact CB-CD2 3.88Å; V114-Y208 HydrophobicContact CB-CE1 3.84Å; V114-Y208 HydrophobicContact CB-CE2 4Å; V114-Y208 HydrophobicContact CB-CG 3.74Å; V114-Y208 HydrophobicContact CG1-CD1 3.92Å; V114-Y208 HydrophobicContact CG1-CD2 3.63Å; V114-Y208 HydrophobicContact CG1-CE1 4.48Å; V114-Y208 HydrophobicContact CG1-CE2 4.23Å; V114-Y208 HydrophobicContact CG1-CG 3.45Å; V114-Y208 VanDerWaalsContact CG1-CG 3.45Å; V114-Y208 HydrophobicContact CG2-CD2 4.41Å; V114-Y208 HydrophobicContact CG2-CE2 4.18Å
115Q96.5Very high95.5Very high5 Ų543.3 Ų43.32%0.02324%0.243CC..EExtended strand (participates in β ladder)trans-161.2131.7179.817570.161.200109.3C46 Y157 A190 Q191C46-Q115 PolarHBondContact SG-OE1 2.99Å; C46-Q115 VanDerWaalsContact SG-OE1 3.37Å; Q115-Y157 HydrophobicContact CG-CD1 3.66Å; Q115-Y157 HydrophobicContact CG-CE1 3.8Å; Q115-A190 CarbonylContact O-C 3.4Å; Q115-A190 WeakPolarHBondContact O-CA 3.4Å; Q115-Q191 HydrophobicContact CB-CB 4.26Å; Q115-Q191 PolarHBondContact N-O 2.82Å; Q115-Q191 PolarHBondContact O-N 2.89Å
116F98.2Very high96.1Very high16 Ų1645 Ų457%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-88147.5165.1-71-80.9000110.2V49 A50 L53 A101 L102 V113 A190V49-F116 HydrophobicContact CG1-CB 4.14Å; A50-F116 HydrophobicContact CB-CD2 4.17Å; A50-F116 HydrophobicContact CB-CE2 4.29Å; L53-F116 HydrophobicContact CD2-CB 4.02Å; L53-F116 HydrophobicContact CD2-CD1 3.64Å; L53-F116 HydrophobicContact CD2-CD2 4.21Å; L53-F116 HydrophobicContact CD2-CE1 4.12Å; L53-F116 HydrophobicContact CD2-CG 3.69Å; A101-F116 HydrophobicContact CB-CE1 3.79Å; A101-F116 HydrophobicContact CB-CZ 4.01Å; L102-F116 HydrophobicContact CB-CZ 4.48Å; L102-F116 HydrophobicContact CD2-CD2 4.23Å; L102-F116 HydrophobicContact CD2-CE2 3.49Å; L102-F116 VanDerWaalsContact CD2-CE2 3.49Å; L102-F116 HydrophobicContact CD2-CZ 3.76Å; L102-F116 HydrophobicContact CG-CE1 4.4Å; L102-F116 HydrophobicContact CG-CE2 4.04Å; L102-F116 HydrophobicContact CG-CZ 3.76Å; V113-F116 HydrophobicContact CB-CZ 4.4Å; V113-F116 HydrophobicContact CG1-CD1 4.38Å; V113-F116 HydrophobicContact CG1-CD2 4.15Å; V113-F116 HydrophobicContact CG1-CE1 4.11Å; V113-F116 HydrophobicContact CG1-CE2 3.85Å; V113-F116 HydrophobicContact CG1-CG 4.41Å; V113-F116 HydrophobicContact CG1-CZ 3.83Å; V113-F116 HydrophobicContact CG2-CZ 4.49Å; F116-A190 HydrophobicContact CD1-CB 4.33Å
117I98.2Very high96.6Very high3 Ų340.4 Ų40.42%0.01522%0.22CC..  trans-90.2114.6180-54.2-58.2000108.9E119 A120 W123 I154 Y157 F189 Q191I117-E119 VanDerWaalsContact C-N 3.34Å; I117-E119 PolarHBondContact O-N 3.02Å; I117-A120 HydrophobicContact CB-CB 4.33Å; I117-A120 HydrophobicContact CG2-CB 4.49Å; I117-A120 VanDerWaalsContact O-CB 3.25Å; I117-A120 WeakPolarHBondContact O-CB 3.42Å; I117-A120 PolarHBondContact O-N 3.15Å; I117-W123 HydrophobicContact CG2-CH2 3.7Å; I117-W123 HydrophobicContact CG2-CZ3 3.63Å; I117-I154 HydrophobicContact CD1-CD1 3.81Å; I117-I154 HydrophobicContact CG1-CD1 4.22Å; I117-Y157 WeakPolarHBondContact CA-OH 3.33Å; I117-Y157 HydrophobicContact CD1-CD1 3.67Å; I117-Y157 HydrophobicContact CD1-CD2 3.85Å; I117-Y157 HydrophobicContact CD1-CE1 3.52Å; I117-Y157 HydrophobicContact CD1-CE2 3.76Å; I117-Y157 HydrophobicContact CD1-CG 3.83Å; I117-Y157 HydrophobicContact CG2-CE2 3.82Å; I117-F189 PolarHBondContact N-O 3.49Å; I117-Q191 HydrophobicContact CD1-CG 4.25Å
118E97.6Very high96.9Very high125 Ų12537.4 Ų37.458%0.58421%0.206SC*.THydrogen-bonded Turntrans-64.3-36.9-177-64.4177.6-109.700111.9V49 A120 Y157V49-E118 HydrophobicContact CG1-CG 3.8Å; V49-E118 HydrophobicContact CG2-CG 4.05Å; E118-A120 PolarHBondContact O-N 3.47Å; E118-Y157 PolarHBondContact N-OH 2.87Å
119E98.2Very high97.3Very high67 Ų6742 Ų4231%0.31323%0.225SC..THydrogen-bonded Turntrans-75.8-7.7-179.6-59.784.617300113.8I117 E121 S122 W123 Y157I117-E119 VanDerWaalsContact C-N 3.34Å; I117-E119 PolarHBondContact O-N 3.02Å; E119-E121 VanDerWaalsContact C-N 3.26Å; E119-E121 PolarHBondContact O-N 2.94Å; E119-S122 WeakPolarHBondContact O-CB 3.44Å; E119-S122 PolarHBondContact O-N 3.46Å; E119-S122 VanDerWaalsContact O-N 3.08Å; E119-W123 HydrophobicContact CB-CD2 4.16Å; E119-W123 HydrophobicContact CB-CH2 4.01Å; E119-W123 HydrophobicContact CB-CZ2 3.5Å; E119-W123 HydrophobicContact CG-CZ2 4.25Å; E119-W123 PolarHBondContact O-N 3.49Å; E119-Y157 VanDerWaalsContact OE2-CE2 3.27Å; E119-Y157 WeakPolarHBondContact OE2-CE2 3.48Å; E119-Y157 VanDerWaalsContact OE2-CZ 3.31Å; E119-Y157 PolarHBondContact OE2-OH 3.36Å
120A98.6Very high97.6Very high0 Ų042.1 Ų42.10%022%0.215CC..Hα-helixtrans-57-40.3-176.500000112.2L94 I117 E118 S122 W123 A124 V187 F189L94-A120 HydrophobicContact CD1-CB 4.05Å; L94-A120 VanDerWaalsContact CD2-C 3.44Å; L94-A120 HydrophobicContact CD2-CB 3.99Å; L94-A120 WeakPolarHBondContact CD2-O 3.5Å; I117-A120 HydrophobicContact CB-CB 4.33Å; I117-A120 HydrophobicContact CG2-CB 4.49Å; I117-A120 VanDerWaalsContact O-CB 3.25Å; I117-A120 WeakPolarHBondContact O-CB 3.42Å; I117-A120 PolarHBondContact O-N 3.15Å; E118-A120 PolarHBondContact O-N 3.47Å; A120-S122 PolarHBondContact O-N 3.2Å; A120-W123 PolarHBondContact O-N 3.23Å; A120-A124 PolarHBondContact O-N 2.96Å; A120-V187 HydrophobicContact CB-CG1 3.95Å; A120-V187 WeakPolarHBondContact O-CG1 3.32Å; A120-F189 HydrophobicContact CB-CB 4.11Å
121E98.1Very high97.8Very high71 Ų7144.3 Ų44.333%0.33222%0.224SC..Hα-helixtrans-61.4-44.7177.2-173.567.6-173.800112H95 E119 A124 S125H95-E121 IonicContact CD2-OE2 3.91Å; H95-E121 PolarHBondContact CD2-OE2 3.06Å; H95-E121 IonicContact CE1-OE1 3.93Å; H95-E121 IonicContact NE2-OE1 3.88Å; H95-E121 PolarHBondContact NE2-OE1 3.49Å; H95-E121 IonicContact NE2-OE2 3.2Å; H95-E121 PolarHBondContact NE2-OE2 3.25Å; E119-E121 VanDerWaalsContact C-N 3.26Å; E119-E121 PolarHBondContact O-N 2.94Å; E121-A124 PolarHBondContact O-N 3.44Å; E121-S125 WeakPolarHBondContact O-CB 3.46Å; E121-S125 PolarHBondContact O-N 3.02Å; E121-S125 PolarHBondContact O-OG 3.43Å; E121-S125 VanDerWaalsContact O-OG 3.14Å
122S98.4Very high97.5Very high59 Ų5942.5 Ų42.541%0.41322%0.216SC..Hα-helixtrans-65.1-41.4178.3-173.20000110.8E119 A120 S125 Q126E119-S122 WeakPolarHBondContact O-CB 3.44Å; E119-S122 PolarHBondContact O-N 3.46Å; E119-S122 VanDerWaalsContact O-N 3.08Å; A120-S122 PolarHBondContact O-N 3.2Å; S122-S125 PolarHBondContact O-N 3.28Å; S122-Q126 WeakPolarHBondContact O-CB 3.42Å; S122-Q126 WeakPolarHBondContact O-CG 3.47Å; S122-Q126 PolarHBondContact O-N 3.43Å; S122-Q126 PolarHBondContact O-NE2 3.35Å; S122-Q126 PolarHBondContact OG-NE2 3.24Å
123W98.5Very high97.1Very high53 Ų5349.1 Ų49.120%0.20125%0.246CC..Hα-helixtrans-65.3-42.7176.6-61-23.8000112.2I117 E119 A120 Q126 L127 I154 K182 V187 P188I117-W123 HydrophobicContact CG2-CH2 3.7Å; I117-W123 HydrophobicContact CG2-CZ3 3.63Å; E119-W123 HydrophobicContact CB-CD2 4.16Å; E119-W123 HydrophobicContact CB-CH2 4.01Å; E119-W123 HydrophobicContact CB-CZ2 3.5Å; E119-W123 HydrophobicContact CG-CZ2 4.25Å; E119-W123 PolarHBondContact O-N 3.49Å; A120-W123 PolarHBondContact O-N 3.23Å; W123-Q126 PolarHBondContact O-N 3.44Å; W123-L127 VanDerWaalsContact O-CG 3.31Å; W123-L127 WeakPolarHBondContact O-CG 3.45Å; W123-L127 PolarHBondContact O-N 2.93Å; W123-L127 VanDerWaalsContact O-N 3.11Å; W123-I154 HydrophobicContact CH2-CG2 4.39Å; W123-K182 VanDerWaalsContact CH2-CE 3.42Å; W123-K182 VanDerWaalsContact CZ2-NZ 3.33Å; W123-V187 HydrophobicContact CB-CG1 4.38Å; W123-V187 HydrophobicContact CE3-CG1 4.48Å; W123-P188 HydrophobicContact CZ3-CB 4.16Å; W123-P188 HydrophobicContact CZ3-CG 4.23Å; W123-P188 WeakPolarHBondContact CZ3-O 3.34Å
124A98.7Very high96.4Very high0 Ų054.5 Ų54.50%027%0.269CS..Hα-helixtrans-62.3-47.217600000111.9P90 T91 L94 A120 E121 Q126 L127 E128 V187P90-A124 HydrophobicContact CB-CB 4.1Å; T91-A124 HydrophobicContact CG2-CB 3.99Å; L94-A124 HydrophobicContact CB-CB 4.34Å; L94-A124 HydrophobicContact CD2-CB 3.77Å; A120-A124 PolarHBondContact O-N 2.96Å; E121-A124 PolarHBondContact O-N 3.44Å; A124-Q126 VanDerWaalsContact C-N 3.34Å; A124-Q126 PolarHBondContact O-N 3.37Å; A124-L127 WeakPolarHBondContact O-CB 3.34Å; A124-L127 PolarHBondContact O-N 3.22Å; A124-L127 VanDerWaalsContact O-N 3.15Å; A124-E128 PolarHBondContact O-N 3.47Å; A124-V187 HydrophobicContact CB-CG2 4.49Å
125S98.3Very high96Very high52 Ų5260.2 Ų60.236%0.36429%0.29SS..Hα-helixtrans-61-39.9176-66.20000112.6E121 S122 L127 E128 E129E121-S125 WeakPolarHBondContact O-CB 3.46Å; E121-S125 PolarHBondContact O-N 3.02Å; E121-S125 PolarHBondContact O-OG 3.43Å; E121-S125 VanDerWaalsContact O-OG 3.14Å; S122-S125 PolarHBondContact O-N 3.28Å; S125-L127 VanDerWaalsContact C-N 3.29Å; S125-L127 PolarHBondContact O-N 3.1Å; S125-E128 WeakPolarHBondContact O-CB 3.36Å; S125-E128 PolarHBondContact O-N 3.39Å; S125-E129 PolarHBondContact O-N 2.86Å
126Q98.2Very high95.8Very high91 Ų9166.2 Ų66.243%0.42532%0.316SS..Hα-helixtrans-64.3-32.6176.2-76.4169.237.600112.7S122 W123 A124 E129 T130S122-Q126 WeakPolarHBondContact O-CB 3.42Å; S122-Q126 WeakPolarHBondContact O-CG 3.47Å; S122-Q126 PolarHBondContact O-N 3.43Å; S122-Q126 PolarHBondContact O-NE2 3.35Å; S122-Q126 PolarHBondContact OG-NE2 3.24Å; W123-Q126 PolarHBondContact O-N 3.44Å; A124-Q126 VanDerWaalsContact C-N 3.34Å; A124-Q126 PolarHBondContact O-N 3.37Å; Q126-E129 PolarHBondContact O-N 2.85Å; Q126-T130 WeakPolarHBondContact O-CB 3.43Å; Q126-T130 PolarHBondContact O-N 3.22Å; Q126-T130 PolarHBondContact O-OG1 3.19Å
127L98.4Very high95.6Very high19 Ų1970 Ų7010%0.09935%0.35CS..Hα-helixtrans-66.4-41.1174.4-70.8172.1000111P90 W123 A124 S125 T130 Y131 Y142 G185 V187P90-L127 HydrophobicContact CB-CB 4.44Å; P90-L127 HydrophobicContact CG-CB 4.19Å; W123-L127 VanDerWaalsContact O-CG 3.31Å; W123-L127 WeakPolarHBondContact O-CG 3.45Å; W123-L127 PolarHBondContact O-N 2.93Å; W123-L127 VanDerWaalsContact O-N 3.11Å; A124-L127 WeakPolarHBondContact O-CB 3.34Å; A124-L127 PolarHBondContact O-N 3.22Å; A124-L127 VanDerWaalsContact O-N 3.15Å; S125-L127 VanDerWaalsContact C-N 3.29Å; S125-L127 PolarHBondContact O-N 3.1Å; L127-T130 PolarHBondContact O-N 3.2Å; L127-Y131 HydrophobicContact CD2-CD2 3.95Å; L127-Y131 HydrophobicContact CD2-CE2 3.71Å; L127-Y131 WeakPolarHBondContact O-CB 3.23Å; L127-Y131 WeakPolarHBondContact O-CD2 3.27Å; L127-Y131 PolarHBondContact O-N 3.42Å; L127-Y142 HydrophobicContact CB-CD2 4.16Å; L127-Y142 HydrophobicContact CB-CE2 3.64Å; L127-Y142 HydrophobicContact CD2-CD2 4.26Å; L127-Y142 HydrophobicContact CD2-CE2 4.46Å; L127-Y142 WeakPolarHBondContact O-CE2 3.42Å; L127-Y142 PolarHBondContact O-OH 3.46Å; L127-G185 WeakPolarHBondContact CD1-O 3.23Å; L127-V187 HydrophobicContact CD1-CG2 3.66Å
128E97.4Very high95.5Very high42 Ų4271.2 Ų71.220%0.19636%0.355CS..Hα-helixtrans-62.5-44.5173.7-70.6173.6-154.700112.3L89 P90 T91 A124 S125 G132 R135L89-E128 WeakPolarHBondContact CB-OE1 3.45Å; P90-E128 HydrophobicContact CB-CG 4.16Å; P90-E128 HydrophobicContact CG-CG 3.78Å; T91-E128 VanDerWaalsContact CB-OE1 3.23Å; T91-E128 WeakPolarHBondContact CB-OE1 3.44Å; T91-E128 WeakPolarHBondContact CG2-OE1 3.39Å; T91-E128 PolarHBondContact N-OE1 3.26Å; T91-E128 PolarHBondContact OG1-OE1 3.03Å; A124-E128 PolarHBondContact O-N 3.47Å; S125-E128 WeakPolarHBondContact O-CB 3.36Å; S125-E128 PolarHBondContact O-N 3.39Å; E128-G132 WeakPolarHBondContact O-CA 3.5Å; E128-G132 PolarHBondContact O-N 2.86Å; E128-R135 PolarHBondContact O-NH1 2.93Å; E128-R135 VanDerWaalsContact O-NH1 3.16Å
129E96.8Very high95.5Very high142 Ų14266 Ų6666%0.66433%0.333SS*.Hα-helixtrans-63-46.2176.6-172.5-179.1178.100111.4S125 Q126 R135S125-E129 PolarHBondContact O-N 2.86Å; Q126-E129 PolarHBondContact O-N 2.85Å; E129-R135 WeakPolarHBondContact O-CD 3.22Å; E129-R135 PolarHBondContact O-NH1 3.36Å
130T97.2Very high95.5Very high53 Ų5365 Ų6533%0.32533%0.332SS..Hα-helixtrans-74.4-39.4-172.8-59.60000113.2Q126 L127 K136Q126-T130 WeakPolarHBondContact O-CB 3.43Å; Q126-T130 PolarHBondContact O-N 3.22Å; Q126-T130 PolarHBondContact O-OG1 3.19Å; L127-T130 PolarHBondContact O-N 3.2Å; T130-K136 HydrophobicContact CG2-CD 4.17Å
131Y96.5Very high95.5Very high49 Ų4965.1 Ų65.119%0.19233%0.332CS..Hα-helixtrans-119.8-20.1-169.7-58.4-82.2000114.5L127 K136 A137 K138 P139 Y142L127-Y131 HydrophobicContact CD2-CD2 3.95Å; L127-Y131 HydrophobicContact CD2-CE2 3.71Å; L127-Y131 WeakPolarHBondContact O-CB 3.23Å; L127-Y131 WeakPolarHBondContact O-CD2 3.27Å; L127-Y131 PolarHBondContact O-N 3.42Å; Y131-K136 HydrophobicContact CD1-CB 3.67Å; Y131-K136 HydrophobicContact CE1-CB 4.08Å; Y131-A137 VanDerWaalsContact CD1-O 3.24Å; Y131-A137 WeakPolarHBondContact CD1-O 3.42Å; Y131-A137 WeakPolarHBondContact CE1-O 3.31Å; Y131-K138 HydrophobicContact CG-CG 4.36Å; Y131-P139 HydrophobicContact CE2-CG 4.38Å; Y131-Y142 HydrophobicContact CD2-CD2 4.01Å; Y131-Y142 AromaticContact CD2-CE2 3.81Å; Y131-Y142 HydrophobicContact CD2-CE2 3.81Å; Y131-Y142 HydrophobicContact CG-CD2 4.26Å; Y131-Y142 HydrophobicContact CG-CE2 4.02Å
132G91.2Very high95.5Very high8 Ų861.9 Ų61.98%0.08232%0.317CS..THydrogen-bonded Turntrans-62.6160.7-179.600000112.3E128 H134 R135E128-G132 WeakPolarHBondContact O-CA 3.5Å; E128-G132 PolarHBondContact O-N 2.86Å; G132-H134 PolarHBondContact O-N 3.2Å; G132-R135 WeakPolarHBondContact O-CD 3.46Å; G132-R135 VanDerWaalsContact O-CG 3.22Å; G132-R135 WeakPolarHBondContact O-CG 3.3Å; G132-R135 PolarHBondContact O-N 2.86Å; G132-R135 PolarHBondContact O-NH1 3.29Å
133Q90Very high95.5Very high143 Ų14359.1 Ų59.167%0.66830%0.298SS*.THydrogen-bonded Turntrans54.732.6-172.4-57.1178.1-12.600112.5E86 R135E86-Q133 VanDerWaalsContact CD-N 3.34Å; E86-Q133 PolarHBondContact OE1-N 3.43Å; E86-Q133 WeakPolarHBondContact OE2-CA 3.44Å; E86-Q133 PolarHBondContact OE2-N 2.86Å; Q133-R135 PolarHBondContact O-N 2.8Å; Q133-R135 VanDerWaalsContact O-N 3.09Å
134H83.8Confident95.5Very high139 Ų13956.6 Ų56.664%0.64429%0.289SS*.THydrogen-bonded Turntrans53.527.2-178.6-55.1-72.3000115.4E86 G132 K136E86-H134 PolarHBondContact OE1-N 2.9Å; G132-H134 PolarHBondContact O-N 3.2Å; H134-K136 PolarHBondContact O-N 3.36Å
135R87.7Confident95.5Very high128 Ų12856.6 Ų56.648%0.48329%0.289SS..THydrogen-bonded Turntrans-60.6-31.9179.9-71172.8-162.8122.25.8112.9E128 E129 G132 Q133E128-R135 PolarHBondContact O-NH1 2.93Å; E128-R135 VanDerWaalsContact O-NH1 3.16Å; E129-R135 WeakPolarHBondContact O-CD 3.22Å; E129-R135 PolarHBondContact O-NH1 3.36Å; G132-R135 WeakPolarHBondContact O-CD 3.46Å; G132-R135 VanDerWaalsContact O-CG 3.22Å; G132-R135 WeakPolarHBondContact O-CG 3.3Å; G132-R135 PolarHBondContact O-N 2.86Å; G132-R135 PolarHBondContact O-NH1 3.29Å; Q133-R135 PolarHBondContact O-N 2.8Å; Q133-R135 VanDerWaalsContact O-N 3.09Å
136K91.6Very high95.6Very high131 Ų13154.1 Ų54.157%0.5727%0.271SS*.SBendtrans-146.4159.5177.6-69.5-175.4-177.1174.40110.6T130 Y131 H134 K138T130-K136 HydrophobicContact CG2-CD 4.17Å; Y131-K136 HydrophobicContact CD1-CB 3.67Å; Y131-K136 HydrophobicContact CE1-CB 4.08Å; H134-K136 PolarHBondContact O-N 3.36Å; K136-K138 PolarHBondContact O-N 2.83Å
137A94Very high95.6Very high95 Ų9549.8 Ų49.879%0.78525%0.251SS*.PPolyproline II helixtrans-62123.6169.400000109.8Y131Y131-A137 VanDerWaalsContact CD1-O 3.24Å; Y131-A137 WeakPolarHBondContact CD1-O 3.42Å; Y131-A137 WeakPolarHBondContact CE1-O 3.31Å
138K97.5Very high95.6Very high28 Ų2848.9 Ų48.912%0.12225%0.246CC..PPolyproline II helixtrans-71.8139.8-179.8-74.4164.6-170.9166.50110.6L83 Q84 E86 Y131 K136 Y142L83-K138 PolarHBondContact O-NZ 2.8Å; Q84-K138 PolarHBondContact O-NZ 3.09Å; E86-K138 WeakPolarHBondContact OE1-CE 3.45Å; E86-K138 IonicContact OE1-NZ 2.82Å; E86-K138 PolarHBondContact OE1-NZ 3.4Å; Y131-K138 HydrophobicContact CG-CG 4.36Å; K136-K138 PolarHBondContact O-N 2.83Å; K138-Y142 HydrophobicContact CB-CD1 4.35Å; K138-Y142 HydrophobicContact CB-CD2 4.35Å; K138-Y142 HydrophobicContact CB-CG 3.99Å; K138-Y142 HydrophobicContact CD-CD1 3.65Å; K138-Y142 HydrophobicContact CD-CE1 3.74Å; K138-Y142 HydrophobicContact CD-CG 4.12Å; K138-Y142 HydrophobicContact CG-CD1 3.96Å; K138-Y142 HydrophobicContact CG-CD2 4.05Å; K138-Y142 HydrophobicContact CG-CE1 4.16Å; K138-Y142 HydrophobicContact CG-CE2 4.24Å; K138-Y142 HydrophobicContact CG-CG 3.9Å
139P97.4Very high95.7Very high17 Ų1747 Ų4711%0.1124%0.237CC..PPolyproline II helixtrans-73.2165.7175.735.9-40.5000111Q84 Y131 F141 Y142 L184Q84-P139 PolarHBondContact NE2-O 3.28Å; Q84-P139 VanDerWaalsContact NE2-O 3.08Å; Y131-P139 HydrophobicContact CE2-CG 4.38Å; P139-F141 VanDerWaalsContact C-N 3.33Å; P139-F141 PolarHBondContact O-N 2.53Å; P139-Y142 VanDerWaalsContact O-CB 3.26Å; P139-Y142 WeakPolarHBondContact O-CB 3.43Å; P139-Y142 PolarHBondContact O-N 3.29Å; P139-Y142 VanDerWaalsContact O-N 3.13Å; P139-L184 VanDerWaalsContact CB-O 3.26Å; P139-L184 WeakPolarHBondContact CB-O 3.34Å; P139-L184 WeakPolarHBondContact CG-O 3.39Å
140P97.5Very high95.7Very high46 Ų4640.3 Ų40.330%0.29921%0.206SC..THydrogen-bonded Turntrans-66.3-28.7-170.123.7-34.7000114.6L184 N303P140-L184 HydrophobicContact CG-CB 4.33Å; P140-L184 HydrophobicContact CG-CD2 3.92Å; P140-N303 WeakPolarHBondContact CB-OD1 3.47Å; P140-N303 HydrophobicContact CG-CB 4.29Å; P140-N303 VanDerWaalsContact CG-OD1 3.27Å; P140-N303 WeakPolarHBondContact CG-OD1 3.45Å
141F98.5Very high95.7Very high1 Ų138 Ų380%0.00419%0.192CC..THydrogen-bonded Turntrans-103.923.7175.7-65.8-64.3000112.7P139 G143 I144 L181 L184 G185 A186 L239 T299 N303P139-F141 VanDerWaalsContact C-N 3.33Å; P139-F141 PolarHBondContact O-N 2.53Å; F141-G143 PolarHBondContact O-N 2.77Å; F141-I144 HydrophobicContact CB-CB 4.21Å; F141-I144 HydrophobicContact CB-CG1 4.27Å; F141-I144 HydrophobicContact CD1-CB 4.41Å; F141-I144 HydrophobicContact CD1-CG1 4.29Å; F141-I144 HydrophobicContact CD1-CG2 4.48Å; F141-I144 WeakPolarHBondContact O-CB 3.42Å; F141-I144 WeakPolarHBondContact O-CG1 3.42Å; F141-I144 PolarHBondContact O-N 3.3Å; F141-L181 HydrophobicContact CD2-CD2 4.14Å; F141-L181 HydrophobicContact CE2-CD2 4.18Å; F141-L184 CarbonylContact C-O 3.6Å; F141-L184 VanDerWaalsContact CA-O 3.3Å; F141-L184 WeakPolarHBondContact CA-O 3.43Å; F141-L184 WeakPolarHBondContact CB-O 3.24Å; F141-L184 HydrophobicContact CD2-CB 3.93Å; F141-L184 HydrophobicContact CD2-CD1 4.21Å; F141-L184 HydrophobicContact CE2-CD1 4.35Å; F141-L184 PolarHBondContact N-O 3.47Å; F141-G185 CarbonylContact O-C 3.53Å; F141-A186 HydrophobicContact CB-CB 3.86Å; F141-A186 PolarHBondContact O-N 2.85Å; F141-L239 HydrophobicContact CE1-CD2 4.23Å; F141-T299 HydrophobicContact CE1-CG2 3.87Å; F141-T299 HydrophobicContact CZ-CG2 4.09Å; F141-N303 HydrophobicContact CD2-CB 4.42Å; F141-N303 HydrophobicContact CE2-CB 3.53Å; F141-N303 HydrophobicContact CZ-CB 3.99Å
142Y98.5Very high95.8Very high4 Ų435.6 Ų35.62%0.01618%0.182CC..THydrogen-bonded Turntrans-46.2110179.6177.1-109.8000112.7L83 P90 L127 Y131 K138 P139 I144L83-Y142 HydrophobicContact CB-CD1 4.12Å; L83-Y142 WeakPolarHBondContact CD1-O 3.36Å; P90-Y142 HydrophobicContact CG-CD1 4.43Å; P90-Y142 HydrophobicContact CG-CE1 3.73Å; P90-Y142 HydrophobicContact CG-CE2 4.03Å; P90-Y142 VanDerWaalsContact CG-CZ 3.49Å; L127-Y142 HydrophobicContact CB-CD2 4.16Å; L127-Y142 HydrophobicContact CB-CE2 3.64Å; L127-Y142 HydrophobicContact CD2-CD2 4.26Å; L127-Y142 HydrophobicContact CD2-CE2 4.46Å; L127-Y142 WeakPolarHBondContact O-CE2 3.42Å; L127-Y142 PolarHBondContact O-OH 3.46Å; Y131-Y142 HydrophobicContact CD2-CD2 4.01Å; Y131-Y142 AromaticContact CD2-CE2 3.81Å; Y131-Y142 HydrophobicContact CD2-CE2 3.81Å; Y131-Y142 HydrophobicContact CG-CD2 4.26Å; Y131-Y142 HydrophobicContact CG-CE2 4.02Å; K138-Y142 HydrophobicContact CB-CD1 4.35Å; K138-Y142 HydrophobicContact CB-CD2 4.35Å; K138-Y142 HydrophobicContact CB-CG 3.99Å; K138-Y142 HydrophobicContact CD-CD1 3.65Å; K138-Y142 HydrophobicContact CD-CE1 3.74Å; K138-Y142 HydrophobicContact CD-CG 4.12Å; K138-Y142 HydrophobicContact CG-CD1 3.96Å; K138-Y142 HydrophobicContact CG-CD2 4.05Å; K138-Y142 HydrophobicContact CG-CE1 4.16Å; K138-Y142 HydrophobicContact CG-CE2 4.24Å; K138-Y142 HydrophobicContact CG-CG 3.9Å; P139-Y142 VanDerWaalsContact O-CB 3.26Å; P139-Y142 WeakPolarHBondContact O-CB 3.43Å; P139-Y142 PolarHBondContact O-N 3.29Å; P139-Y142 VanDerWaalsContact O-N 3.13Å; Y142-I144 VanDerWaalsContact C-N 3.26Å; Y142-I144 PolarHBondContact O-N 2.84Å
143G98.6Very high96.1Very high1 Ų137 Ų371%0.0119%0.187CC..THydrogen-bonded Turntrans74.59.1176.800000114.9F141 P145 G185F141-G143 PolarHBondContact O-N 2.77Å; G143-P145 VanDerWaalsContact O-CD 3.3Å; G143-P145 WeakPolarHBondContact O-CD 3.41Å; G143-G185 PolarHBondContact N-O 3.11Å
144I98.8Very high96.5Very high0 Ų030.2 Ų30.20%016%0.155CC..  trans-78117.2179.5-59.8-62.3000109.5L76 L79 L83 F141 Y142 I146 A186 V187 I238L76-I144 HydrophobicContact CD1-CD1 3.91Å; L76-I144 HydrophobicContact CD1-CG1 4.31Å; L76-I144 HydrophobicContact CD1-CG2 3.9Å; L79-I144 HydrophobicContact CD2-CD1 3.93Å; L79-I144 HydrophobicContact CG-CD1 4.02Å; L83-I144 HydrophobicContact CD1-CD1 3.58Å; L83-I144 HydrophobicContact CD1-CG1 4.44Å; F141-I144 HydrophobicContact CB-CB 4.21Å; F141-I144 HydrophobicContact CB-CG1 4.27Å; F141-I144 HydrophobicContact CD1-CB 4.41Å; F141-I144 HydrophobicContact CD1-CG1 4.29Å; F141-I144 HydrophobicContact CD1-CG2 4.48Å; F141-I144 WeakPolarHBondContact O-CB 3.42Å; F141-I144 WeakPolarHBondContact O-CG1 3.42Å; F141-I144 PolarHBondContact O-N 3.3Å; Y142-I144 VanDerWaalsContact C-N 3.26Å; Y142-I144 PolarHBondContact O-N 2.84Å; I144-I146 HydrophobicContact CG2-CG2 4.39Å; I144-A186 CarbonylContact O-C 3.57Å; I144-A186 WeakPolarHBondContact O-CA 3.32Å; I144-V187 PolarHBondContact O-N 2.87Å; I144-I238 HydrophobicContact CG2-CG2 3.92Å
145P98.7Very high97.2Very high0 Ų028.6 Ų28.60%015%0.146CC..EExtended strand (participates in β ladder)trans-75.4135.2177.729.3-30.8000110V93 Y97 G143 V187 F189 I238V93-P145 HydrophobicContact CG1-CG 3.95Å; Y97-P145 HydrophobicContact CD2-CB 4.43Å; Y97-P145 HydrophobicContact CD2-CG 3.28Å; Y97-P145 HydrophobicContact CE2-CG 3.85Å; Y97-P145 HydrophobicContact CG-CB 4.49Å; Y97-P145 HydrophobicContact CG-CG 3.69Å; G143-P145 VanDerWaalsContact O-CD 3.3Å; G143-P145 WeakPolarHBondContact O-CD 3.41Å; P145-V187 VanDerWaalsContact CA-O 3.31Å; P145-V187 WeakPolarHBondContact CA-O 3.46Å; P145-F189 HydrophobicContact CB-CD1 3.72Å; P145-F189 HydrophobicContact CB-CE1 4.14Å; P145-F189 HydrophobicContact CB-CG 4.43Å; P145-I238 WeakPolarHBondContact O-CG2 3.38Å
146I98.7Very high97.7Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-124.5137.1177.963.8172.4000111.6I144 L181 A186 V187 P188 F189 L239I144-I146 HydrophobicContact CG2-CG2 4.39Å; I146-L181 HydrophobicContact CD1-CB 3.89Å; I146-L181 HydrophobicContact CD1-CD1 3.55Å; I146-L181 HydrophobicContact CD1-CG 4.21Å; I146-A186 HydrophobicContact CD1-CB 4.03Å; I146-A186 HydrophobicContact CG1-CB 4.36Å; I146-A186 HydrophobicContact CG2-CB 4.16Å; I146-V187 PolarHBondContact N-O 3.3Å; I146-P188 HydrophobicContact CD1-CG 4.09Å; I146-P188 HydrophobicContact CG1-CB 4.21Å; I146-P188 HydrophobicContact CG1-CG 4.06Å; I146-P188 WeakPolarHBondContact O-CA 3.17Å; I146-F189 WeakPolarHBondContact O-CD1 3.41Å; I146-F189 PolarHBondContact O-N 3.36Å; I146-F189 VanDerWaalsContact O-N 3.1Å; I146-L239 WeakPolarHBondContact CA-O 3.35Å; I146-L239 HydrophobicContact CG2-CB 4.24Å; I146-L239 HydrophobicContact CG2-CD2 4.12Å; I146-L239 HydrophobicContact CG2-CG 4.31Å
147S98.9Very high98Very high0 Ų020 Ų200%012%0.115CC..EExtended strand (participates in β ladder)trans-91.3149.3168.750.90000110.4E228 S237 L239 G240 I241S147-E228 VanDerWaalsContact CB-OE2 3.24Å; S147-E228 WeakPolarHBondContact CB-OE2 3.24Å; S147-E228 PolarHBondContact OG-OE2 3.37Å; S147-S237 WeakPolarHBondContact OG-CB 3.06Å; S147-S237 PolarHBondContact OG-OG 2.79Å; S147-L239 PolarHBondContact N-O 3.36Å; S147-L239 VanDerWaalsContact N-O 3.1Å; S147-G240 VanDerWaalsContact O-CA 3.32Å; S147-G240 WeakPolarHBondContact O-CA 3.27Å; S147-I241 PolarHBondContact O-N 3.47Å
148V98.8Very high98.1Very high0 Ų016.2 Ų16.20%08%0.082CC..EExtended strand (participates in β ladder)trans-130.9124.4-171.4-177.90000109.5E150 V152 I154 I178 P188 A190 Q191 T192 E228V148-E150 PolarHBondContact O-N 3.28Å; V148-V152 HydrophobicContact CG1-CB 3.64Å; V148-V152 HydrophobicContact CG1-CG1 3.98Å; V148-I154 HydrophobicContact CB-CD1 3.99Å; V148-I154 HydrophobicContact CG1-CD1 4.15Å; V148-I154 HydrophobicContact CG1-CG1 4.31Å; V148-I154 HydrophobicContact CG2-CD1 4.02Å; V148-I178 HydrophobicContact CB-CD1 4.48Å; V148-I178 HydrophobicContact CG1-CD1 3.87Å; V148-I178 HydrophobicContact CG1-CG1 4.5Å; V148-I178 HydrophobicContact CG2-CD1 3.7Å; V148-P188 HydrophobicContact CG2-CB 4.2Å; V148-A190 PolarHBondContact N-O 2.9Å; V148-Q191 CarbonylContact O-C 3.56Å; V148-Q191 WeakPolarHBondContact O-CA 3.47Å; V148-T192 PolarHBondContact O-N 2.92Å; V148-E228 WeakPolarHBondContact CA-OE1 3.42Å; V148-E228 PolarHBondContact N-OE1 3.46Å; V148-E228 VanDerWaalsContact N-OE1 3.09Å
149K98.6Very high98Very high3 Ų315.5 Ų15.51%0.0138%0.08CC..EExtended strand (participates in β ladder)trans-54.5131.2171.3-177.9-175.9-172.9163.90109.9S151 V152 V194 S224 T225 E228 I241 G243K149-S151 WeakPolarHBondContact CD-OG 3.35Å; K149-S151 WeakPolarHBondContact CE-OG 3.48Å; K149-S151 PolarHBondContact O-N 3.31Å; K149-V152 HydrophobicContact CB-CG2 4.36Å; K149-V152 WeakPolarHBondContact O-CB 3.46Å; K149-V152 PolarHBondContact O-N 2.91Å; K149-V194 HydrophobicContact CD-CG1 4.25Å; K149-V194 HydrophobicContact CG-CG1 3.5Å; K149-S224 PolarHBondContact NZ-OG 2.99Å; K149-T225 HydrophobicContact CB-CG2 4.16Å; K149-T225 HydrophobicContact CD-CG2 3.95Å; K149-T225 HydrophobicContact CG-CG2 4.19Å; K149-T225 PolarHBondContact NZ-OG1 3.32Å; K149-E228 HydrophobicContact CB-CG 4.43Å; K149-E228 PolarHBondContact N-OE1 2.78Å; K149-E228 VanDerWaalsContact N-OE1 3.12Å; K149-I241 WeakPolarHBondContact CB-O 3.22Å; K149-I241 PolarHBondContact N-O 2.82Å; K149-G243 PolarHBondContact NZ-O 2.95Å; K149-G243 VanDerWaalsContact NZ-O 3.14Å
150E97.6Very high98Very high1 Ų114.7 Ų14.71%0.0057%0.074CC..THydrogen-bonded Turntrans-55.3-24.3-173.1-176.2-98.2-158.600115.2V114 V148 V152 C159 T160 R161 Q191 T192 V194V114-E150 HydrophobicContact CG2-CB 4.24Å; V114-E150 HydrophobicContact CG2-CG 4.2Å; V148-E150 PolarHBondContact O-N 3.28Å; E150-V152 PolarHBondContact O-N 3.46Å; E150-C159 WeakPolarHBondContact O-CA 3.2Å; E150-C159 WeakPolarHBondContact O-CB 3.2Å; E150-C159 PolarHBondContact O-SG 2.82Å; E150-T160 VanDerWaalsContact CD-N 3.26Å; E150-T160 WeakPolarHBondContact OE1-CA 3.31Å; E150-T160 WeakPolarHBondContact OE1-CB 3.41Å; E150-T160 VanDerWaalsContact OE1-CG2 3.28Å; E150-T160 WeakPolarHBondContact OE1-CG2 3.39Å; E150-T160 PolarHBondContact OE1-N 2.91Å; E150-T160 PolarHBondContact OE1-OG1 3.23Å; E150-T160 PolarHBondContact OE2-N 3.09Å; E150-R161 PolarHBondContact OE2-N 2.83Å; E150-Q191 HydrophobicContact CB-CB 4.35Å; E150-T192 WeakPolarHBondContact CB-O 3.33Å; E150-T192 PolarHBondContact N-O 3.16Å; E150-T192 VanDerWaalsContact N-O 3.14Å; E150-V194 HydrophobicContact CB-CG1 4.29Å; E150-V194 HydrophobicContact CB-CG2 4.46Å
151S97Very high97.9Very high3 Ų313.5 Ų13.52%0.0216%0.064CC..THydrogen-bonded Turntrans-74.6-5.1174.861.60000114.7K149 M274K149-S151 WeakPolarHBondContact CD-OG 3.35Å; K149-S151 WeakPolarHBondContact CE-OG 3.48Å; K149-S151 PolarHBondContact O-N 3.31Å; S151-M274 WeakPolarHBondContact O-CB 3.37Å; S151-M274 PolarHBondContact O-N 3.32Å
152V98.2Very high97.8Very high0 Ų013.4 Ų13.40%06%0.064CC..BIsolated β-bridgetrans-99.2122.8176.2-176.70000108.3V148 K149 E150 I154 A175 V177 I178 L287V148-V152 HydrophobicContact CG1-CB 3.64Å; V148-V152 HydrophobicContact CG1-CG1 3.98Å; K149-V152 HydrophobicContact CB-CG2 4.36Å; K149-V152 WeakPolarHBondContact O-CB 3.46Å; K149-V152 PolarHBondContact O-N 2.91Å; E150-V152 PolarHBondContact O-N 3.46Å; V152-I154 PolarHBondContact O-N 3.21Å; V152-A175 HydrophobicContact CG1-CB 3.8Å; V152-V177 HydrophobicContact CG1-CG1 4.22Å; V152-I178 HydrophobicContact CG1-CD1 4.12Å; V152-I178 HydrophobicContact CG1-CG1 3.77Å; V152-L287 HydrophobicContact CG1-CD1 4.45Å; V152-L287 HydrophobicContact CG2-CD1 4.48Å; V152-L287 HydrophobicContact CG2-CD2 3.68Å
153Q98.4Very high97.8Very high38 Ų3813.3 Ų13.318%0.1786%0.063CC..  trans-66.6130.7-172.5-72.3179.4-37.600112.5C159 A171 A175 G272 M274Q153-C159 VanDerWaalsContact CA-SG 3.56Å; Q153-C159 HydrophobicContact CG-CB 4.47Å; Q153-A171 HydrophobicContact CB-CB 3.76Å; Q153-A171 HydrophobicContact CG-CB 3.73Å; Q153-A175 HydrophobicContact CB-CB 4.34Å; Q153-A175 PolarHBondContact O-N 3.32Å; Q153-G272 VanDerWaalsContact CB-O 3.22Å; Q153-G272 WeakPolarHBondContact CB-O 3.35Å; Q153-G272 WeakPolarHBondContact CG-O 3.48Å; Q153-G272 PolarHBondContact N-O 3.1Å; Q153-M274 HydrophobicContact CG-CG 4.24Å
154I98.5Very high97.7Very high0 Ų013.3 Ų13.30%06%0.063CC..  trans-118.4129.9161.2-55.8176.4000105I117 W123 V148 V152 D156 Y157 A171 D174 I178 P188 Q191I117-I154 HydrophobicContact CD1-CD1 3.81Å; I117-I154 HydrophobicContact CG1-CD1 4.22Å; W123-I154 HydrophobicContact CH2-CG2 4.39Å; V148-I154 HydrophobicContact CB-CD1 3.99Å; V148-I154 HydrophobicContact CG1-CD1 4.15Å; V148-I154 HydrophobicContact CG1-CG1 4.31Å; V148-I154 HydrophobicContact CG2-CD1 4.02Å; V152-I154 PolarHBondContact O-N 3.21Å; I154-D156 PolarHBondContact O-N 3.32Å; I154-Y157 HydrophobicContact CB-CD2 4.05Å; I154-Y157 HydrophobicContact CB-CG 4.49Å; I154-Y157 HydrophobicContact CG2-CD2 3.69Å; I154-Y157 HydrophobicContact CG2-CE2 4.25Å; I154-Y157 WeakPolarHBondContact O-CB 3.46Å; I154-Y157 PolarHBondContact O-N 3.42Å; I154-Y157 VanDerWaalsContact O-N 3.09Å; I154-A171 WeakPolarHBondContact O-CB 3.26Å; I154-D174 WeakPolarHBondContact CA-OD1 3.39Å; I154-I178 HydrophobicContact CG1-CG2 4.28Å; I154-P188 HydrophobicContact CD1-CB 4.1Å; I154-Q191 HydrophobicContact CD1-CG 4.1Å
155K98.4Very high97.5Very high104 Ų10417.7 Ų17.745%0.4528%0.08SC..BIsolated β-bridgetrans-50.3135.7-179.3-171.7-168170.4-166.30110.5Y157 D174K155-Y157 WeakPolarHBondContact O-CD2 3.42Å; K155-Y157 PolarHBondContact O-N 3.13Å; K155-D174 PolarHBondContact N-OD1 2.97Å
156D97.9Very high97.4Very high69 Ų6918.7 Ų18.737%0.3699%0.087SC..THydrogen-bonded Turntrans714.2178.8-56.1-49.6000115.8I154 K170 A171I154-D156 PolarHBondContact O-N 3.32Å; D156-K170 WeakPolarHBondContact O-CD 3.39Å; D156-K170 VanDerWaalsContact O-CE 3.25Å; D156-K170 WeakPolarHBondContact O-CE 3.47Å; D156-K170 WeakPolarHBondContact O-CG 3.49Å; D156-K170 PolarHBondContact O-NZ 3.32Å; D156-A171 PolarHBondContact N-O 3.4Å
157Y97.8Very high97.3Very high10 Ų1019.5 Ų19.54%0.0399%0.091CC..SBendtrans-109.3156.5173.1-67.4-88.5000112.7Q115 I117 E118 E119 I154 K155 K170 A171Q115-Y157 HydrophobicContact CG-CD1 3.66Å; Q115-Y157 HydrophobicContact CG-CE1 3.8Å; I117-Y157 WeakPolarHBondContact CA-OH 3.33Å; I117-Y157 HydrophobicContact CD1-CD1 3.67Å; I117-Y157 HydrophobicContact CD1-CD2 3.85Å; I117-Y157 HydrophobicContact CD1-CE1 3.52Å; I117-Y157 HydrophobicContact CD1-CE2 3.76Å; I117-Y157 HydrophobicContact CD1-CG 3.83Å; I117-Y157 HydrophobicContact CG2-CE2 3.82Å; E118-Y157 PolarHBondContact N-OH 2.87Å; E119-Y157 VanDerWaalsContact OE2-CE2 3.27Å; E119-Y157 WeakPolarHBondContact OE2-CE2 3.48Å; E119-Y157 VanDerWaalsContact OE2-CZ 3.31Å; E119-Y157 PolarHBondContact OE2-OH 3.36Å; I154-Y157 HydrophobicContact CB-CD2 4.05Å; I154-Y157 HydrophobicContact CB-CG 4.49Å; I154-Y157 HydrophobicContact CG2-CD2 3.69Å; I154-Y157 HydrophobicContact CG2-CE2 4.25Å; I154-Y157 WeakPolarHBondContact O-CB 3.46Å; I154-Y157 PolarHBondContact O-N 3.42Å; I154-Y157 VanDerWaalsContact O-N 3.09Å; K155-Y157 WeakPolarHBondContact O-CD2 3.42Å; K155-Y157 PolarHBondContact O-N 3.13Å; Y157-K170 CarbonylContact O-C 3.57Å; Y157-K170 WeakPolarHBondContact O-CA 3.49Å; Y157-A171 PolarHBondContact O-N 3.46Å
158E96.3Very high97Very high16 Ų1622.5 Ų22.58%0.07512%0.122CC..BIsolated β-bridgetrans-84.3145.8-178.5-60.4-175.4161.800112R42 T160 L167 G168 K170 Q191R42-E158 WeakPolarHBondContact CD-OE2 3.43Å; R42-E158 IonicContact CZ-OE2 3.91Å; R42-E158 IonicContact NE-OE2 3.45Å; R42-E158 PolarHBondContact NE-OE2 3.45Å; E158-T160 HydrophobicContact CB-CG2 4.19Å; E158-L167 WeakPolarHBondContact OE2-CD2 3.48Å; E158-G168 VanDerWaalsContact OE1-CA 3.31Å; E158-G168 WeakPolarHBondContact OE1-CA 3.28Å; E158-G168 PolarHBondContact OE1-N 2.9Å; E158-K170 HydrophobicContact CG-CG 4.07Å; E158-Q191 PolarHBondContact O-NE2 2.94Å; E158-Q191 PolarHBondContact O-OE1 2.92Å
159C94.9Very high96.9Very high12 Ų1228.8 Ų28.88%0.08115%0.151CC..  trans-126.681.4170.9-65.60000109.6E150 Q153 M274E150-C159 WeakPolarHBondContact O-CA 3.2Å; E150-C159 WeakPolarHBondContact O-CB 3.2Å; E150-C159 PolarHBondContact O-SG 2.82Å; Q153-C159 VanDerWaalsContact CA-SG 3.56Å; Q153-C159 HydrophobicContact CG-CB 4.47Å; C159-M274 HydrophobicContact CB-CB 4.49Å; C159-M274 HydrophobicContact CB-CG 3.69Å
160T96.7Very high96.8Very high0 Ų034.8 Ų34.80%018%0.177CC..  trans-78.6-27.7-170.973.10000113.3E150 E158 G162 Y163 L167 I207E150-T160 VanDerWaalsContact CD-N 3.26Å; E150-T160 WeakPolarHBondContact OE1-CA 3.31Å; E150-T160 WeakPolarHBondContact OE1-CB 3.41Å; E150-T160 VanDerWaalsContact OE1-CG2 3.28Å; E150-T160 WeakPolarHBondContact OE1-CG2 3.39Å; E150-T160 PolarHBondContact OE1-N 2.91Å; E150-T160 PolarHBondContact OE1-OG1 3.23Å; E150-T160 PolarHBondContact OE2-N 3.09Å; E158-T160 HydrophobicContact CB-CG2 4.19Å; T160-G162 PolarHBondContact O-N 3.48Å; T160-G162 PolarHBondContact OG1-N 2.9Å; T160-Y163 WeakPolarHBondContact O-CB 3.21Å; T160-Y163 PolarHBondContact O-N 2.9Å; T160-L167 HydrophobicContact CG2-CD2 3.75Å; T160-L167 HydrophobicContact CG2-CG 4.48Å; T160-I207 HydrophobicContact CG2-CD1 3.89Å; T160-I207 WeakPolarHBondContact OG1-CD1 3.35Å
161R96.3Very high96.8Very high21 Ų2135 Ų358%0.07918%0.179CC..THydrogen-bonded Turntrans56.424.3-169.5-51.2166.2-75.21544.8112.5E150 Y163 Q196 T197 L198 M274 P275E150-R161 PolarHBondContact OE2-N 2.83Å; R161-Y163 VanDerWaalsContact C-N 3.32Å; R161-Y163 HydrophobicContact CB-CD2 3.99Å; R161-Y163 HydrophobicContact CB-CE2 4.29Å; R161-Y163 PolarHBondContact O-N 2.84Å; R161-Q196 WeakPolarHBondContact O-CA 3.36Å; R161-T197 PolarHBondContact O-N 2.83Å; R161-L198 HydrophobicContact CB-CD1 4.29Å; R161-L198 HydrophobicContact CB-CD2 4.11Å; R161-L198 HydrophobicContact CB-CG 3.97Å; R161-L198 HydrophobicContact CG-CD1 4Å; R161-L198 HydrophobicContact CG-CG 4.25Å; R161-M274 HydrophobicContact CG-CB 4.1Å; R161-P275 WeakPolarHBondContact CD-O 3.37Å; R161-P275 PolarHBondContact NH1-O 3.12Å
162G97.2Very high96.8Very high0 Ų040.9 Ų40.90%022%0.215CC..THydrogen-bonded Turntrans73.114.8-173.500000115.3T160 Q196T160-G162 PolarHBondContact O-N 3.48Å; T160-G162 PolarHBondContact OG1-N 2.9Å; G162-Q196 WeakPolarHBondContact O-CG 3.43Å; G162-Q196 PolarHBondContact O-NE2 3.1Å
163Y97.1Very high96.7Very high1 Ų143.9 Ų43.90%0.00424%0.235CC..  trans-91.6122.4171.5-68.4-75.2000110.9T160 R161 R165 S166 T197 H397 L398 E401T160-Y163 WeakPolarHBondContact O-CB 3.21Å; T160-Y163 PolarHBondContact O-N 2.9Å; R161-Y163 VanDerWaalsContact C-N 3.32Å; R161-Y163 HydrophobicContact CB-CD2 3.99Å; R161-Y163 HydrophobicContact CB-CE2 4.29Å; R161-Y163 PolarHBondContact O-N 2.84Å; Y163-R165 VanDerWaalsContact C-N 3.27Å; Y163-R165 PolarHBondContact O-N 3.02Å; Y163-S166 WeakPolarHBondContact O-CB 3.46Å; Y163-S166 PolarHBondContact O-N 3.29Å; Y163-T197 HydrophobicContact CE1-CG2 4.09Å; Y163-T197 WeakPolarHBondContact OH-CB 3.41Å; Y163-T197 WeakPolarHBondContact OH-CG2 3.41Å; Y163-H397 HydrophobicContact CE1-CB 4.01Å; Y163-L398 HydrophobicContact CE1-CD2 3.91Å; Y163-L398 HydrophobicContact CE1-CG 4.49Å; Y163-E401 HydrophobicContact CD1-CG 3.98Å
164V97.6Very high96.7Very high2 Ų243.5 Ų43.51%0.01223%0.234CC..G310 helixtrans-65.6-34.6-177.2-173.60000111L35 A38 I39 S166 L167 P206 I207 E401 I402L35-V164 HydrophobicContact CB-CG1 3.91Å; L35-V164 HydrophobicContact CD2-CB 4.06Å; L35-V164 HydrophobicContact CD2-CG1 3.77Å; L35-V164 HydrophobicContact CG-CG1 4.35Å; L35-V164 WeakPolarHBondContact O-CG1 3.35Å; A38-V164 HydrophobicContact CB-CG1 4.44Å; I39-V164 HydrophobicContact CD1-CG1 3.96Å; I39-V164 HydrophobicContact CD1-CG2 3.83Å; I39-V164 HydrophobicContact CG1-CG1 3.62Å; I39-V164 HydrophobicContact CG1-CG2 4.12Å; V164-S166 PolarHBondContact O-N 3.43Å; V164-S166 VanDerWaalsContact O-N 3.14Å; V164-L167 HydrophobicContact CG1-CD1 3.88Å; V164-L167 VanDerWaalsContact O-CB 3.32Å; V164-L167 WeakPolarHBondContact O-CB 3.37Å; V164-L167 VanDerWaalsContact O-CG 3.31Å; V164-L167 WeakPolarHBondContact O-CG 3.47Å; V164-L167 PolarHBondContact O-N 3.33Å; V164-L167 VanDerWaalsContact O-N 3.14Å; V164-P206 HydrophobicContact CG2-CB 4.01Å; V164-P206 HydrophobicContact CG2-CG 4.47Å; V164-I207 HydrophobicContact CG2-CG1 3.94Å; V164-E401 WeakPolarHBondContact CB-OE2 3.17Å; V164-E401 PolarHBondContact N-OE2 3.41Å; V164-I402 HydrophobicContact CG2-CB 4.43Å
165R94.4Very high96.7Very high91 Ų9143.5 Ų43.534%0.34323%0.234SC..G310 helixtrans-60.8-19.2174.672.3-179.869.6-173.1-5.4114.4Y163 L167 H397 K399 E401Y163-R165 VanDerWaalsContact C-N 3.27Å; Y163-R165 PolarHBondContact O-N 3.02Å; R165-L167 VanDerWaalsContact C-N 3.34Å; R165-H397 PolarHBondContact NE-O 3.14Å; R165-H397 PolarHBondContact NH1-O 3.14Å; R165-H397 PolarHBondContact NH2-O 3.08Å; R165-K399 PolarHBondContact NH2-O 3.26Å; R165-E401 VanDerWaalsContact CB-OE1 3.31Å; R165-E401 WeakPolarHBondContact CB-OE1 3.43Å; R165-E401 WeakPolarHBondContact CG-OE1 3.25Å; R165-E401 IonicContact CZ-OE1 3.16Å; R165-E401 PolarHBondContact N-OE1 3.15Å; R165-E401 IonicContact NE-OE1 3.48Å; R165-E401 PolarHBondContact NE-OE1 3.43Å; R165-E401 IonicContact NH2-OE1 2.86Å; R165-E401 PolarHBondContact NH2-OE1 2.97Å
166S95.4Very high96.7Very high21 Ų2139.9 Ų39.915%0.14722%0.219CC..G310 helixtrans-86-9.1-179.4-68.90000112.6Y163 V164 H169Y163-S166 WeakPolarHBondContact O-CB 3.46Å; Y163-S166 PolarHBondContact O-N 3.29Å; V164-S166 PolarHBondContact O-N 3.43Å; V164-S166 VanDerWaalsContact O-N 3.14Å; S166-H169 PolarHBondContact O-N 3.39Å; S166-H169 PolarHBondContact O-ND1 3.46Å
167L96.9Very high96.7Very high18 Ų1836.6 Ų36.69%0.09420%0.202CC..THydrogen-bonded Turntrans-57.5147.2167.9-64.8175.9000110.8A38 I39 R42 E158 T160 V164 R165 H169 I207A38-L167 HydrophobicContact CB-CD1 3.96Å; I39-L167 HydrophobicContact CG1-CD1 4.32Å; R42-L167 HydrophobicContact CB-CD1 4.12Å; R42-L167 HydrophobicContact CB-CD2 3.86Å; R42-L167 HydrophobicContact CG-CD2 3.58Å; E158-L167 WeakPolarHBondContact OE2-CD2 3.48Å; T160-L167 HydrophobicContact CG2-CD2 3.75Å; T160-L167 HydrophobicContact CG2-CG 4.48Å; V164-L167 HydrophobicContact CG1-CD1 3.88Å; V164-L167 VanDerWaalsContact O-CB 3.32Å; V164-L167 WeakPolarHBondContact O-CB 3.37Å; V164-L167 VanDerWaalsContact O-CG 3.31Å; V164-L167 WeakPolarHBondContact O-CG 3.47Å; V164-L167 PolarHBondContact O-N 3.33Å; V164-L167 VanDerWaalsContact O-N 3.14Å; R165-L167 VanDerWaalsContact C-N 3.34Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 PolarHBondContact O-ND1 2.75Å; L167-H169 VanDerWaalsContact O-ND1 3.16Å; L167-I207 HydrophobicContact CD1-CD1 4.5Å; L167-I207 HydrophobicContact CD1-CG1 4.45Å; L167-I207 HydrophobicContact CD1-CG2 4.35Å; L167-I207 HydrophobicContact CD2-CD1 4.03Å; L167-I207 HydrophobicContact CD2-CG2 4.07Å; L167-I207 HydrophobicContact CG-CD1 4.16Å
168G93.7Very high96.7Very high63 Ų6336.1 Ų36.165%0.64920%0.2SC*.THydrogen-bonded Turntrans80.8-0.3-175.500000114.9E158E158-G168 VanDerWaalsContact OE1-CA 3.31Å; E158-G168 WeakPolarHBondContact OE1-CA 3.28Å; E158-G168 PolarHBondContact OE1-N 2.9Å
169H95Very high96.8Very high132 Ų13237.4 Ų37.461%0.61121%0.213SC*.  trans-112.5100.2178.7-57.582.3000110S166 L167S166-H169 PolarHBondContact O-N 3.39Å; S166-H169 PolarHBondContact O-ND1 3.46Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 PolarHBondContact O-ND1 2.75Å; L167-H169 VanDerWaalsContact O-ND1 3.16Å
170K96.7Very high96.9Very high129 Ų12937 Ų3756%0.56121%0.21SC*.BIsolated β-bridgetrans-85.9150.9178.4-67.3173.7163.4-137.20111.3D156 Y157 E158D156-K170 WeakPolarHBondContact O-CD 3.39Å; D156-K170 VanDerWaalsContact O-CE 3.25Å; D156-K170 WeakPolarHBondContact O-CE 3.47Å; D156-K170 WeakPolarHBondContact O-CG 3.49Å; D156-K170 PolarHBondContact O-NZ 3.32Å; Y157-K170 CarbonylContact O-C 3.57Å; Y157-K170 WeakPolarHBondContact O-CA 3.49Å; E158-K170 HydrophobicContact CG-CG 4.07Å
171A97.6Very high97Very high5 Ų537 Ų374%0.04121%0.21CC..BIsolated β-bridgetrans-69.4136172.600000110.4Q153 I154 D156 Y157 C173Q153-A171 HydrophobicContact CB-CB 3.76Å; Q153-A171 HydrophobicContact CG-CB 3.73Å; I154-A171 WeakPolarHBondContact O-CB 3.26Å; D156-A171 PolarHBondContact N-O 3.4Å; Y157-A171 PolarHBondContact O-N 3.46Å; A171-C173 VanDerWaalsContact C-N 3.34Å
172V97.3Very high97.1Very high127 Ų12738.1 Ų38.177%0.7722%0.216SC*.SBendtrans-81.8-16.9179.7-63.60000113.1
173C97.4Very high97.2Very high63 Ų6343.8 Ų43.843%0.42624%0.24SC..SBendtrans-150.2164.6178.762.80000109.8A171A171-C173 VanDerWaalsContact C-N 3.34Å
174D98.4Very high97.2Very high30 Ų3045 Ų4516%0.1625%0.247CC..  trans-67.4153168.2-70.7-35.6000110.2I154 K155 I178 A179 K182I154-D174 WeakPolarHBondContact CA-OD1 3.39Å; K155-D174 PolarHBondContact N-OD1 2.97Å; D174-I178 HydrophobicContact CB-CB 4.17Å; D174-I178 HydrophobicContact CB-CG2 4.06Å; D174-A179 HydrophobicContact CB-CB 4.09Å; D174-K182 IonicContact OD1-NZ 2.75Å; D174-K182 PolarHBondContact OD1-NZ 3.44Å; D174-K182 IonicContact OD2-NZ 2.66Å; D174-K182 PolarHBondContact OD2-NZ 2.96Å
175A98.1Very high97.3Very high0 Ų044.9 Ų44.90%025%0.247CC..  trans-62.4149.5161.500000110V152 Q153 V177 I178 A179V152-A175 HydrophobicContact CG1-CB 3.8Å; Q153-A175 HydrophobicContact CB-CB 4.34Å; Q153-A175 PolarHBondContact O-N 3.32Å; A175-V177 HydrophobicContact CB-CG1 4.37Å; A175-V177 PolarHBondContact O-N 3.13Å; A175-V177 VanDerWaalsContact O-N 3.13Å; A175-I178 HydrophobicContact CB-CB 4.47Å; A175-I178 HydrophobicContact CB-CG1 4.12Å; A175-I178 WeakPolarHBondContact O-CA 3.37Å; A175-I178 WeakPolarHBondContact O-CB 3.27Å; A175-I178 PolarHBondContact O-N 3.36Å; A175-A179 PolarHBondContact O-N 3.18Å
176N97.3Very high97.5Very high27 Ų2740.8 Ų40.814%0.14423%0.232CC..Hα-helixtrans-53.5-41.4-177.7-83.37.5000112.1I178 A179 L180 S269 I271 N312N176-I178 VanDerWaalsContact C-N 3.32Å; N176-I178 PolarHBondContact O-N 3.42Å; N176-A179 PolarHBondContact O-N 3.36Å; N176-L180 WeakPolarHBondContact O-CB 3.48Å; N176-L180 PolarHBondContact O-N 3.11Å; N176-S269 WeakPolarHBondContact CB-OG 3.24Å; N176-S269 PolarHBondContact ND2-OG 3.32Å; N176-I271 HydrophobicContact CB-CB 4.42Å; N176-I271 PolarHBondContact N-O 3.09Å; N176-I271 VanDerWaalsContact N-O 3.09Å; N176-N312 PolarHBondContact ND2-O 3.14Å; N176-N312 VanDerWaalsContact ND2-O 3.08Å
177V97.7Very high97.6Very high1 Ų139.8 Ų39.81%0.00623%0.225CC..Hα-helixtrans-63.9-36.1177.273.50000112.3V152 A175 L181 I268 L287 F300 I304V152-V177 HydrophobicContact CG1-CG1 4.22Å; A175-V177 HydrophobicContact CB-CG1 4.37Å; A175-V177 PolarHBondContact O-N 3.13Å; A175-V177 VanDerWaalsContact O-N 3.13Å; V177-L181 HydrophobicContact CG2-CD1 4.1Å; V177-L181 WeakPolarHBondContact O-CB 3.19Å; V177-L181 WeakPolarHBondContact O-CD1 3.35Å; V177-L181 WeakPolarHBondContact O-CG 3.32Å; V177-L181 PolarHBondContact O-N 2.99Å; V177-I268 HydrophobicContact CG2-CG2 4.27Å; V177-L287 HydrophobicContact CB-CD1 4.44Å; V177-L287 HydrophobicContact CG1-CD1 3.69Å; V177-F300 HydrophobicContact CG2-CZ 4.11Å; V177-I304 HydrophobicContact CG2-CD1 3.86Å; V177-I304 HydrophobicContact CG2-CG1 4.08Å
178I98.4Very high97.7Very high0 Ų039 Ų390%022%0.221CC..Hα-helixtrans-73.8-44.5180-62.4-55.8000110.4V148 V152 I154 D174 A175 N176 L180 L181 K182 P188V148-I178 HydrophobicContact CB-CD1 4.48Å; V148-I178 HydrophobicContact CG1-CD1 3.87Å; V148-I178 HydrophobicContact CG1-CG1 4.5Å; V148-I178 HydrophobicContact CG2-CD1 3.7Å; V152-I178 HydrophobicContact CG1-CD1 4.12Å; V152-I178 HydrophobicContact CG1-CG1 3.77Å; I154-I178 HydrophobicContact CG1-CG2 4.28Å; D174-I178 HydrophobicContact CB-CB 4.17Å; D174-I178 HydrophobicContact CB-CG2 4.06Å; A175-I178 HydrophobicContact CB-CB 4.47Å; A175-I178 HydrophobicContact CB-CG1 4.12Å; A175-I178 WeakPolarHBondContact O-CA 3.37Å; A175-I178 WeakPolarHBondContact O-CB 3.27Å; A175-I178 PolarHBondContact O-N 3.36Å; N176-I178 VanDerWaalsContact C-N 3.32Å; N176-I178 PolarHBondContact O-N 3.42Å; I178-L180 VanDerWaalsContact C-N 3.3Å; I178-L180 PolarHBondContact O-N 3.35Å; I178-L181 HydrophobicContact CD1-CD1 4.44Å; I178-L181 PolarHBondContact O-N 2.82Å; I178-K182 HydrophobicContact CG2-CD 4.43Å; I178-K182 WeakPolarHBondContact O-CG 3.4Å; I178-K182 PolarHBondContact O-N 3.42Å; I178-P188 HydrophobicContact CG2-CG 4.08Å
179A98.3Very high98Very high42 Ų4236 Ų3635%0.34719%0.19SC..Hα-helixtrans-57.5-45.1174.800000111.1D174 A175 N176 K182 K183D174-A179 HydrophobicContact CB-CB 4.09Å; A175-A179 PolarHBondContact O-N 3.18Å; N176-A179 PolarHBondContact O-N 3.36Å; A179-K182 PolarHBondContact O-N 2.7Å; A179-K183 PolarHBondContact O-N 2.78Å
180L98.4Very high98.1Very high4 Ų429.7 Ų29.72%0.02116%0.161CC..Hα-helixtrans-64.7-44.4176.4178.956000112.2N176 I178 K182 K183 L184 I304 E308 L309N176-L180 WeakPolarHBondContact O-CB 3.48Å; N176-L180 PolarHBondContact O-N 3.11Å; I178-L180 VanDerWaalsContact C-N 3.3Å; I178-L180 PolarHBondContact O-N 3.35Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.89Å; L180-K183 WeakPolarHBondContact O-CB 3.41Å; L180-K183 PolarHBondContact O-N 2.85Å; L180-K183 VanDerWaalsContact O-N 3.13Å; L180-L184 HydrophobicContact CD1-CD1 4.14Å; L180-L184 HydrophobicContact CD1-CG 4.1Å; L180-L184 HydrophobicContact CG-CD1 4.05Å; L180-L184 HydrophobicContact CG-CG 4.44Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 2.86Å; L180-I304 HydrophobicContact CB-CD1 4.19Å; L180-I304 HydrophobicContact CD2-CD1 3.52Å; L180-I304 HydrophobicContact CD2-CG1 3.88Å; L180-I304 WeakPolarHBondContact CD2-O 3.32Å; L180-I304 HydrophobicContact CG-CD1 3.75Å; L180-E308 HydrophobicContact CD1-CB 3.96Å; L180-E308 HydrophobicContact CD1-CG 3.89Å; L180-L309 HydrophobicContact CD2-CB 3.71Å; L180-L309 HydrophobicContact CD2-CD1 4.06Å; L180-L309 HydrophobicContact CD2-CG 4.38Å
181L98.6Very high98.2Very high0 Ų023.5 Ų23.50%013%0.134CC..Hα-helixtrans-60.6-42.6177.3-76.5165000112F141 I146 V177 I178 K183 L184 G185 A186 I241 F300 I304F141-L181 HydrophobicContact CD2-CD2 4.14Å; F141-L181 HydrophobicContact CE2-CD2 4.18Å; I146-L181 HydrophobicContact CD1-CB 3.89Å; I146-L181 HydrophobicContact CD1-CD1 3.55Å; I146-L181 HydrophobicContact CD1-CG 4.21Å; V177-L181 HydrophobicContact CG2-CD1 4.1Å; V177-L181 WeakPolarHBondContact O-CB 3.19Å; V177-L181 WeakPolarHBondContact O-CD1 3.35Å; V177-L181 WeakPolarHBondContact O-CG 3.32Å; V177-L181 PolarHBondContact O-N 2.99Å; I178-L181 HydrophobicContact CD1-CD1 4.44Å; I178-L181 PolarHBondContact O-N 2.82Å; L181-K183 VanDerWaalsContact C-N 3.34Å; L181-K183 PolarHBondContact O-N 3.1Å; L181-L184 CarbonylContact O-C 3.54Å; L181-L184 WeakPolarHBondContact O-CA 3.28Å; L181-L184 PolarHBondContact O-N 3.25Å; L181-L184 VanDerWaalsContact O-N 3.15Å; L181-G185 PolarHBondContact O-N 2.75Å; L181-A186 HydrophobicContact CB-CB 4.06Å; L181-A186 VanDerWaalsContact O-CB 3.29Å; L181-A186 WeakPolarHBondContact O-CB 3.42Å; L181-A186 PolarHBondContact O-N 3.26Å; L181-I241 HydrophobicContact CD1-CD1 3.87Å; L181-I241 HydrophobicContact CD1-CG1 4.04Å; L181-F300 HydrophobicContact CD1-CE2 3.92Å; L181-F300 HydrophobicContact CD2-CD2 4.21Å; L181-F300 HydrophobicContact CD2-CE2 3.86Å; L181-F300 HydrophobicContact CG-CE2 4.37Å; L181-I304 HydrophobicContact CD2-CD1 3.99Å; L181-I304 HydrophobicContact CG-CD1 3.88Å
182K98.5Very high98.3Very high45 Ų4523.3 Ų23.320%0.19613%0.132CC..Hα-helixtrans-59.7-43.4172.7-71.4178.2-176.5176.30111.6W123 D174 I178 A179 L180 L184 G185 P188W123-K182 VanDerWaalsContact CH2-CE 3.42Å; W123-K182 VanDerWaalsContact CZ2-NZ 3.33Å; D174-K182 IonicContact OD1-NZ 2.75Å; D174-K182 PolarHBondContact OD1-NZ 3.44Å; D174-K182 IonicContact OD2-NZ 2.66Å; D174-K182 PolarHBondContact OD2-NZ 2.96Å; I178-K182 HydrophobicContact CG2-CD 4.43Å; I178-K182 WeakPolarHBondContact O-CG 3.4Å; I178-K182 PolarHBondContact O-N 3.42Å; A179-K182 PolarHBondContact O-N 2.7Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.89Å; K182-L184 VanDerWaalsContact C-N 3.27Å; K182-L184 PolarHBondContact O-N 2.69Å; K182-G185 WeakPolarHBondContact O-CA 3.44Å; K182-G185 PolarHBondContact O-N 3.02Å; K182-P188 HydrophobicContact CD-CG 4.49Å; K182-P188 HydrophobicContact CG-CG 3.98Å
183K97.7Very high98.3Very high118 Ų11817.2 Ų17.251%0.51310%0.095SC..Hα-helixtrans-61.8-34.9175-170.4178.1-172.2174.60112.4A179 L180 L181 G185 E308A179-K183 PolarHBondContact O-N 2.78Å; L180-K183 WeakPolarHBondContact O-CB 3.41Å; L180-K183 PolarHBondContact O-N 2.85Å; L180-K183 VanDerWaalsContact O-N 3.13Å; L181-K183 VanDerWaalsContact C-N 3.34Å; L181-K183 PolarHBondContact O-N 3.1Å; K183-G185 PolarHBondContact O-N 2.98Å; K183-E308 HydrophobicContact CD-CG 4.22Å; K183-E308 IonicContact NZ-OE1 3.82Å; K183-E308 PolarHBondContact NZ-OE1 3.44Å; K183-E308 IonicContact NZ-OE2 3.51Å; K183-E308 PolarHBondContact NZ-OE2 2.99Å
184L98.3Very high98.4Very high26 Ų2614.2 Ų14.214%0.1368%0.075CC..THydrogen-bonded Turntrans-79.37.1173.7-63.4173.9000113.3P139 P140 F141 L180 L181 K182 N303P139-L184 VanDerWaalsContact CB-O 3.26Å; P139-L184 WeakPolarHBondContact CB-O 3.34Å; P139-L184 WeakPolarHBondContact CG-O 3.39Å; P140-L184 HydrophobicContact CG-CB 4.33Å; P140-L184 HydrophobicContact CG-CD2 3.92Å; F141-L184 CarbonylContact C-O 3.6Å; F141-L184 VanDerWaalsContact CA-O 3.3Å; F141-L184 WeakPolarHBondContact CA-O 3.43Å; F141-L184 WeakPolarHBondContact CB-O 3.24Å; F141-L184 HydrophobicContact CD2-CB 3.93Å; F141-L184 HydrophobicContact CD2-CD1 4.21Å; F141-L184 HydrophobicContact CE2-CD1 4.35Å; F141-L184 PolarHBondContact N-O 3.47Å; L180-L184 HydrophobicContact CD1-CD1 4.14Å; L180-L184 HydrophobicContact CD1-CG 4.1Å; L180-L184 HydrophobicContact CG-CD1 4.05Å; L180-L184 HydrophobicContact CG-CG 4.44Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 2.86Å; L181-L184 CarbonylContact O-C 3.54Å; L181-L184 WeakPolarHBondContact O-CA 3.28Å; L181-L184 PolarHBondContact O-N 3.25Å; L181-L184 VanDerWaalsContact O-N 3.15Å; K182-L184 VanDerWaalsContact C-N 3.27Å; K182-L184 PolarHBondContact O-N 2.69Å; L184-N303 HydrophobicContact CD1-CB 4.35Å
185G98.5Very high98.3Very high1 Ų112.8 Ų12.81%0.017%0.067CC..THydrogen-bonded Turntrans88.53.4173.400000115.6L127 F141 G143 L181 K182 K183L127-G185 WeakPolarHBondContact CD1-O 3.23Å; F141-G185 CarbonylContact O-C 3.53Å; G143-G185 PolarHBondContact N-O 3.11Å; L181-G185 PolarHBondContact O-N 2.75Å; K182-G185 WeakPolarHBondContact O-CA 3.44Å; K182-G185 PolarHBondContact O-N 3.02Å; K183-G185 PolarHBondContact O-N 2.98Å
186A98.8Very high98.3Very high4 Ų412.8 Ų12.83%0.0337%0.067CC..  trans-72.315217600000111.2F141 I144 I146 L181 P188F141-A186 HydrophobicContact CB-CB 3.86Å; F141-A186 PolarHBondContact O-N 2.85Å; I144-A186 CarbonylContact O-C 3.57Å; I144-A186 WeakPolarHBondContact O-CA 3.32Å; I146-A186 HydrophobicContact CD1-CB 4.03Å; I146-A186 HydrophobicContact CG1-CB 4.36Å; I146-A186 HydrophobicContact CG2-CB 4.16Å; L181-A186 HydrophobicContact CB-CB 4.06Å; L181-A186 VanDerWaalsContact O-CB 3.29Å; L181-A186 WeakPolarHBondContact O-CB 3.42Å; L181-A186 PolarHBondContact O-N 3.26Å; A186-P188 WeakPolarHBondContact O-CD 3.24Å
187V98.9Very high98.2Very high1 Ų111.6 Ų11.61%0.0066%0.061CC..EExtended strand (participates in β ladder)trans-118.597.9-177.5-175.40000109.8L94 A120 W123 A124 L127 I144 P145 I146 F189L94-V187 HydrophobicContact CD1-CG1 4.1Å; L94-V187 HydrophobicContact CD2-CG1 4.39Å; A120-V187 HydrophobicContact CB-CG1 3.95Å; A120-V187 WeakPolarHBondContact O-CG1 3.32Å; W123-V187 HydrophobicContact CB-CG1 4.38Å; W123-V187 HydrophobicContact CE3-CG1 4.48Å; A124-V187 HydrophobicContact CB-CG2 4.49Å; L127-V187 HydrophobicContact CD1-CG2 3.66Å; I144-V187 PolarHBondContact O-N 2.87Å; P145-V187 VanDerWaalsContact CA-O 3.31Å; P145-V187 WeakPolarHBondContact CA-O 3.46Å; I146-V187 PolarHBondContact N-O 3.3Å; V187-F189 PolarHBondContact O-N 3.38Å
188P98.8Very high98.1Very high0 Ų012 Ų120%06%0.063CC..EExtended strand (participates in β ladder)trans-61.3120170.3-19.730.8000110.5W123 I146 V148 I154 I178 K182 A186W123-P188 HydrophobicContact CZ3-CB 4.16Å; W123-P188 HydrophobicContact CZ3-CG 4.23Å; W123-P188 WeakPolarHBondContact CZ3-O 3.34Å; I146-P188 HydrophobicContact CD1-CG 4.09Å; I146-P188 HydrophobicContact CG1-CB 4.21Å; I146-P188 HydrophobicContact CG1-CG 4.06Å; I146-P188 WeakPolarHBondContact O-CA 3.17Å; V148-P188 HydrophobicContact CG2-CB 4.2Å; I154-P188 HydrophobicContact CD1-CB 4.1Å; I178-P188 HydrophobicContact CG2-CG 4.08Å; K182-P188 HydrophobicContact CD-CG 4.49Å; K182-P188 HydrophobicContact CG-CG 3.98Å; A186-P188 WeakPolarHBondContact O-CD 3.24Å
189F98.7Very high97.9Very high0 Ų013.6 Ų13.60%07%0.071CC..EExtended strand (participates in β ladder)trans-120.7-17.7-173.480-82.4000114.3L94 Q98 A101 I117 A120 P145 I146 V187 L231 G236L94-F189 HydrophobicContact CD1-CB 3.53Å; L94-F189 HydrophobicContact CD1-CG 4.28Å; Q98-F189 HydrophobicContact CG-CD2 3.96Å; A101-F189 HydrophobicContact CB-CE2 4.04Å; I117-F189 PolarHBondContact N-O 3.49Å; A120-F189 HydrophobicContact CB-CB 4.11Å; P145-F189 HydrophobicContact CB-CD1 3.72Å; P145-F189 HydrophobicContact CB-CE1 4.14Å; P145-F189 HydrophobicContact CB-CG 4.43Å; I146-F189 WeakPolarHBondContact O-CD1 3.41Å; I146-F189 PolarHBondContact O-N 3.36Å; I146-F189 VanDerWaalsContact O-N 3.1Å; V187-F189 PolarHBondContact O-N 3.38Å; F189-L231 HydrophobicContact CZ-CD2 4.39Å; F189-G236 VanDerWaalsContact CZ-O 3.23Å; F189-G236 WeakPolarHBondContact CZ-O 3.5Å
190A98.4Very high97.7Very high0 Ų011.8 Ų11.80%06%0.056CC..EExtended strand (participates in β ladder)trans-151.1143.3-179.200000112.4V113 Q115 F116 V148V113-A190 HydrophobicContact CG1-CB 4.03Å; V113-A190 HydrophobicContact CG2-CB 4.47Å; Q115-A190 CarbonylContact O-C 3.4Å; Q115-A190 WeakPolarHBondContact O-CA 3.4Å; F116-A190 HydrophobicContact CD1-CB 4.33Å; V148-A190 PolarHBondContact N-O 2.9Å
191Q98.6Very high97.5Very high0 Ų012.4 Ų12.40%06%0.058CC..EExtended strand (participates in β ladder)trans-94.3138.3161-66.3-178.6-53.900110.8V114 Q115 I117 V148 E150 I154 E158V114-Q191 HydrophobicContact CG2-CB 4.07Å; V114-Q191 WeakPolarHBondContact CG2-O 3.33Å; V114-Q191 PolarHBondContact N-O 3.27Å; Q115-Q191 HydrophobicContact CB-CB 4.26Å; Q115-Q191 PolarHBondContact N-O 2.82Å; Q115-Q191 PolarHBondContact O-N 2.89Å; I117-Q191 HydrophobicContact CD1-CG 4.25Å; V148-Q191 CarbonylContact O-C 3.56Å; V148-Q191 WeakPolarHBondContact O-CA 3.47Å; E150-Q191 HydrophobicContact CB-CB 4.35Å; I154-Q191 HydrophobicContact CD1-CG 4.1Å; E158-Q191 PolarHBondContact O-NE2 2.94Å; E158-Q191 PolarHBondContact O-OE1 2.92Å
192T98.7Very high97.2Very high0 Ų012.4 Ų12.40%06%0.059CC..EExtended strand (participates in β ladder)trans-109.7155.2-178.766.60000113.9C112 V148 E150 E228 L231C112-T192 CarbonylContact O-C 3.25Å; C112-T192 VanDerWaalsContact O-CA 3.27Å; C112-T192 WeakPolarHBondContact O-CA 3.35Å; C112-T192 WeakPolarHBondContact O-CB 3.46Å; V148-T192 PolarHBondContact O-N 2.92Å; E150-T192 WeakPolarHBondContact CB-O 3.33Å; E150-T192 PolarHBondContact N-O 3.16Å; E150-T192 VanDerWaalsContact N-O 3.14Å; T192-E228 VanDerWaalsContact CB-OE1 3.28Å; T192-E228 WeakPolarHBondContact CB-OE1 3.17Å; T192-E228 HydrophobicContact CG2-CG 4.43Å; T192-E228 WeakPolarHBondContact CG2-OE1 3.44Å; T192-E228 VanDerWaalsContact OG1-CD 3.24Å; T192-E228 VanDerWaalsContact OG1-CG 3.29Å; T192-E228 WeakPolarHBondContact OG1-CG 3.33Å; T192-E228 PolarHBondContact OG1-N 3.19Å; T192-E228 PolarHBondContact OG1-OE1 3.32Å; T192-L231 HydrophobicContact CG2-CB 4.44Å; T192-L231 HydrophobicContact CG2-CD2 3.59Å
193N98.3Very high97.1Very high0 Ų010.3 Ų10.30%05%0.049CC..  trans-64.8151.4-171.9-157.512.1000113.2C112 V114 C203 N205 G209 T211 G227C112-N193 PolarHBondContact O-N 3.38Å; V114-N193 VanDerWaalsContact CG1-CA 3.5Å; V114-N193 HydrophobicContact CG1-CB 3.49Å; V114-N193 VanDerWaalsContact CG1-CB 3.49Å; N193-C203 PolarHBondContact O-SG 3.04Å; N193-N205 PolarHBondContact OD1-ND2 3.04Å; N193-G209 PolarHBondContact ND2-O 3.05Å; N193-T211 WeakPolarHBondContact CB-OG1 3.33Å; N193-T211 PolarHBondContact ND2-OG1 2.82Å; N193-G227 PolarHBondContact O-N 2.82Å
194V98.2Very high97Very high0 Ų05.3 Ų5.30%03%0.029CC..  trans-138153.8179.2-62.10000110.6K149 E150 L198 N205K149-V194 HydrophobicContact CD-CG1 4.25Å; K149-V194 HydrophobicContact CG-CG1 3.5Å; E150-V194 HydrophobicContact CB-CG1 4.29Å; E150-V194 HydrophobicContact CB-CG2 4.46Å; V194-L198 HydrophobicContact CB-CD2 3.62Å; V194-L198 HydrophobicContact CG1-CD2 4.09Å; V194-L198 HydrophobicContact CG2-CD2 3.7Å; V194-N205 PolarHBondContact O-ND2 2.52Å
195P97.3Very high97Very high0 Ų04.1 Ų4.10%02%0.023CC..  trans-69.1152.6168.719.5-23.7000113.6T197 L198 A202 S204 S224P195-T197 PolarHBondContact O-N 3.08Å; P195-L198 PolarHBondContact O-N 3.21Å; P195-A202 WeakPolarHBondContact CB-O 3.4Å; P195-A202 WeakPolarHBondContact CG-O 3.36Å; P195-S204 VanDerWaalsContact CA-O 3.23Å; P195-S204 WeakPolarHBondContact CA-O 3.3Å; P195-S224 VanDerWaalsContact CD-CB 3.42Å; P195-S224 WeakPolarHBondContact CD-O 3.24Å; P195-S224 VanDerWaalsContact CG-CB 3.44Å
196Q97.3Very high96.9Very high0 Ų05.3 Ų5.30%03%0.03CC..G310 helixtrans-53.7132.9168.1-175.6170.160.500109.8R161 G162 L198 S204 N205 L398 I402 D404 V407R161-Q196 WeakPolarHBondContact O-CA 3.36Å; G162-Q196 WeakPolarHBondContact O-CG 3.43Å; G162-Q196 PolarHBondContact O-NE2 3.1Å; Q196-L198 PolarHBondContact O-N 2.91Å; Q196-S204 PolarHBondContact N-O 2.96Å; Q196-S204 VanDerWaalsContact N-O 3.08Å; Q196-N205 HydrophobicContact CB-CB 4.04Å; Q196-L398 HydrophobicContact CG-CD2 4.38Å; Q196-I402 PolarHBondContact NE2-O 2.72Å; Q196-D404 HydrophobicContact CB-CB 4.29Å; Q196-V407 HydrophobicContact CB-CG2 4.48Å; Q196-V407 HydrophobicContact CG-CG2 4.4Å; Q196-V407 WeakPolarHBondContact O-CG1 3.48Å
197T95.5Very high96.9Very high1 Ų15.3 Ų5.31%0.0063%0.03CC..G310 helixtrans73-11.6-176.680.20000116.2R161 Y163 P195 L199 S276 V394 L398 V407 M410R161-T197 PolarHBondContact O-N 2.83Å; Y163-T197 HydrophobicContact CE1-CG2 4.09Å; Y163-T197 WeakPolarHBondContact OH-CB 3.41Å; Y163-T197 WeakPolarHBondContact OH-CG2 3.41Å; P195-T197 PolarHBondContact O-N 3.08Å; T197-L199 PolarHBondContact O-N 3.12Å; T197-L199 VanDerWaalsContact O-N 3.15Å; T197-L199 WeakPolarHBondContact OG1-CB 3.5Å; T197-L199 PolarHBondContact OG1-N 3.12Å; T197-S276 VanDerWaalsContact O-CB 3.27Å; T197-S276 WeakPolarHBondContact O-CB 3.42Å; T197-V394 HydrophobicContact CG2-CG1 4.27Å; T197-L398 HydrophobicContact CG2-CD1 4.48Å; T197-L398 HydrophobicContact CG2-CD2 3.89Å; T197-L398 HydrophobicContact CG2-CG 4.41Å; T197-V407 HydrophobicContact CG2-CG1 4.26Å; T197-M410 HydrophobicContact CG2-CE 3.78Å; T197-M410 WeakPolarHBondContact OG1-CE 3.45Å
198L96Very high96.8Very high11 Ų116 Ų66%0.0583%0.033CC..G310 helixtrans60.66.5-169.3-42.6175.9000115.3R161 V194 P195 Q196 S224R161-L198 HydrophobicContact CB-CD1 4.29Å; R161-L198 HydrophobicContact CB-CD2 4.11Å; R161-L198 HydrophobicContact CB-CG 3.97Å; R161-L198 HydrophobicContact CG-CD1 4Å; R161-L198 HydrophobicContact CG-CG 4.25Å; V194-L198 HydrophobicContact CB-CD2 3.62Å; V194-L198 HydrophobicContact CG1-CD2 4.09Å; V194-L198 HydrophobicContact CG2-CD2 3.7Å; P195-L198 PolarHBondContact O-N 3.21Å; Q196-L198 PolarHBondContact O-N 2.91Å; L198-S224 WeakPolarHBondContact O-CB 3.34Å; L198-S224 PolarHBondContact O-OG 3.12Å
199L93.8Very high96.7Very high33 Ų337.4 Ų7.417%0.1735%0.047CC..  trans-106.147.4-177.8-60.9168.7000111.7T197 I277 V394 M410T197-L199 PolarHBondContact O-N 3.12Å; T197-L199 VanDerWaalsContact O-N 3.15Å; T197-L199 WeakPolarHBondContact OG1-CB 3.5Å; T197-L199 PolarHBondContact OG1-N 3.12Å; L199-I277 HydrophobicContact CD1-CD1 3.71Å; L199-I277 HydrophobicContact CD1-CG1 4.01Å; L199-V394 HydrophobicContact CD1-CG2 3.85Å; L199-M410 HydrophobicContact CB-CE 4.46Å; L199-M410 HydrophobicContact CB-SD 4.02Å; L199-M410 HydrophobicContact CD1-SD 4.12Å
200S93.7Very high96.6Very high4 Ų411.6 Ų11.63%0.0286%0.063CC..  trans-144.6146.1178.4-177.80000110A202 G223S200-A202 PolarHBondContact OG-N 2.97Å; S200-A202 VanDerWaalsContact OG-N 3.09Å; S200-A202 PolarHBondContact OG-O 2.8Å; S200-G223 CarbonylContact O-C 3.08Å; S200-G223 WeakPolarHBondContact O-CA 3.32Å
201Y94Very high96.6Very high16 Ų1611.6 Ų11.66%0.0636%0.063CC..SBendtrans-933.8169.2-62.7-67.2000112.9T220 G222 G223 G246 V251 M490 I496 V497Y201-T220 PolarHBondContact O-OG1 3.44Å; Y201-G222 CarbonylContact O-C 3.47Å; Y201-G222 WeakPolarHBondContact O-CA 3.44Å; Y201-G223 WeakPolarHBondContact CD1-O 3.43Å; Y201-G223 PolarHBondContact O-N 3.06Å; Y201-G246 PolarHBondContact OH-O 3.12Å; Y201-V251 HydrophobicContact CD1-CB 3.95Å; Y201-V251 HydrophobicContact CD1-CG1 3.73Å; Y201-V251 HydrophobicContact CD1-CG2 4.12Å; Y201-V251 HydrophobicContact CE1-CB 4Å; Y201-V251 HydrophobicContact CE1-CG1 4.2Å; Y201-V251 HydrophobicContact CE1-CG2 3.7Å; Y201-V251 HydrophobicContact CG-CG1 4.41Å; Y201-M490 HydrophobicContact CD2-CE 4.43Å; Y201-M490 HydrophobicContact CG-CE 4.43Å; Y201-I496 HydrophobicContact CD2-CD1 3.59Å; Y201-I496 HydrophobicContact CD2-CG1 3.93Å; Y201-I496 HydrophobicContact CE2-CD1 3.72Å; Y201-I496 HydrophobicContact CE2-CG1 3.66Å; Y201-I496 HydrophobicContact CG-CD1 4.01Å; Y201-V497 HydrophobicContact CE2-CG1 3.9Å; Y201-V497 WeakPolarHBondContact OH-CG1 3.2Å
202A93.5Very high96.5Very high1 Ų111.9 Ų11.91%0.0087%0.065CC..SBendtrans-96142.2160.800000108.8P195 S200 S204 T220 D487 M490P195-A202 WeakPolarHBondContact CB-O 3.4Å; P195-A202 WeakPolarHBondContact CG-O 3.36Å; S200-A202 PolarHBondContact OG-N 2.97Å; S200-A202 VanDerWaalsContact OG-N 3.09Å; S200-A202 PolarHBondContact OG-O 2.8Å; A202-S204 PolarHBondContact O-N 3.12Å; A202-T220 WeakPolarHBondContact CA-OG1 3.49Å; A202-D487 HydrophobicContact CB-CB 4.18Å; A202-D487 WeakPolarHBondContact CB-OD1 3.18Å; A202-M490 HydrophobicContact CB-CB 4.28Å
203C96Very high96.4Very high0 Ų012 Ų120%07%0.065CC..  trans-9980.6179-165.70000110.7N193 R210 T211 C221 G222N193-C203 PolarHBondContact O-SG 3.04Å; C203-R210 WeakPolarHBondContact O-CA 3.33Å; C203-T211 PolarHBondContact O-N 2.92Å; C203-C221 WeakPolarHBondContact CB-SG 3.23Å; C203-G222 WeakPolarHBondContact CB-O 3.33Å
204S96.8Very high96.4Very high13 Ų1312.5 Ų12.59%0.0917%0.069CC..EExtended strand (participates in β ladder)trans-147.8142.3177.8-166.10000113.6P195 Q196 A202 G209 R210P195-S204 VanDerWaalsContact CA-O 3.23Å; P195-S204 WeakPolarHBondContact CA-O 3.3Å; Q196-S204 PolarHBondContact N-O 2.96Å; Q196-S204 VanDerWaalsContact N-O 3.08Å; A202-S204 PolarHBondContact O-N 3.12Å; S204-G209 WeakPolarHBondContact CA-O 3.48Å; S204-G209 PolarHBondContact OG-O 3.4Å; S204-R210 WeakPolarHBondContact OG-CA 3.43Å; S204-R210 PolarHBondContact OG-N 3.22Å
205N97.4Very high96.2Very high1 Ų115.6 Ų15.61%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-145163.7173.170.875.8000111.6N193 V194 Q196 I207 Y208 G209N193-N205 PolarHBondContact OD1-ND2 3.04Å; V194-N205 PolarHBondContact O-ND2 2.52Å; Q196-N205 HydrophobicContact CB-CB 4.04Å; N205-I207 VanDerWaalsContact C-N 3.26Å; N205-I207 PolarHBondContact O-N 3.09Å; N205-I207 WeakPolarHBondContact OD1-CA 3.06Å; N205-I207 VanDerWaalsContact OD1-CB 3.27Å; N205-I207 WeakPolarHBondContact OD1-CB 3.5Å; N205-I207 PolarHBondContact OD1-N 2.91Å; N205-Y208 PolarHBondContact OD1-N 2.85Å; N205-G209 PolarHBondContact N-O 3.26Å; N205-G209 VanDerWaalsContact N-O 3.14Å; N205-G209 VanDerWaalsContact O-CA 3.22Å; N205-G209 WeakPolarHBondContact O-CA 3.19Å; N205-G209 PolarHBondContact O-N 3.04Å
206P97.3Very high96.1Very high26 Ų2617.2 Ų17.217%0.16910%0.095CC..THydrogen-bonded Turntrans-69.7-14.7-177.4-1729.7000116I39 V164 I402 D404I39-P206 WeakPolarHBondContact CD1-O 3.49Å; V164-P206 HydrophobicContact CG2-CB 4.01Å; V164-P206 HydrophobicContact CG2-CG 4.47Å; P206-I402 HydrophobicContact CB-CB 3.93Å; P206-I402 HydrophobicContact CB-CG2 3.71Å; P206-I402 HydrophobicContact CG-CB 4.18Å; P206-I402 HydrophobicContact CG-CG2 4.1Å; P206-I402 WeakPolarHBondContact CG-O 3.45Å; P206-D404 HydrophobicContact CG-CB 4.27Å
207I98.2Very high96Very high4 Ų420.6 Ų20.62%0.02112%0.117CC..THydrogen-bonded Turntrans-84-58.3-177.2-53.2168.3000108.9R42 T160 V164 L167 N205R42-I207 HydrophobicContact CG-CG2 4.23Å; T160-I207 HydrophobicContact CG2-CD1 3.89Å; T160-I207 WeakPolarHBondContact OG1-CD1 3.35Å; V164-I207 HydrophobicContact CG2-CG1 3.94Å; L167-I207 HydrophobicContact CD1-CD1 4.5Å; L167-I207 HydrophobicContact CD1-CG1 4.45Å; L167-I207 HydrophobicContact CD1-CG2 4.35Å; L167-I207 HydrophobicContact CD2-CD1 4.03Å; L167-I207 HydrophobicContact CD2-CG2 4.07Å; L167-I207 HydrophobicContact CG-CD1 4.16Å; N205-I207 VanDerWaalsContact C-N 3.26Å; N205-I207 PolarHBondContact O-N 3.09Å; N205-I207 WeakPolarHBondContact OD1-CA 3.06Å; N205-I207 VanDerWaalsContact OD1-CB 3.27Å; N205-I207 WeakPolarHBondContact OD1-CB 3.5Å; N205-I207 PolarHBondContact OD1-N 2.91Å
208Y96.8Very high95.9Very high16 Ų1625.1 Ų25.16%0.06314%0.141CC..THydrogen-bonded Turntrans-103.7-7.2-170.9-52.4-66.2000113.2R42 L43 N111 V114 N205R42-Y208 HydrophobicContact CG-CE1 4.18Å; R42-Y208 PolarHBondContact NE-OH 3.35Å; R42-Y208 VanDerWaalsContact NE-OH 3.13Å; L43-Y208 HydrophobicContact CD2-CD1 4.1Å; N111-Y208 PolarHBondContact ND2-O 2.88Å; V114-Y208 HydrophobicContact CB-CD1 3.72Å; V114-Y208 HydrophobicContact CB-CD2 3.88Å; V114-Y208 HydrophobicContact CB-CE1 3.84Å; V114-Y208 HydrophobicContact CB-CE2 4Å; V114-Y208 HydrophobicContact CB-CG 3.74Å; V114-Y208 HydrophobicContact CG1-CD1 3.92Å; V114-Y208 HydrophobicContact CG1-CD2 3.63Å; V114-Y208 HydrophobicContact CG1-CE1 4.48Å; V114-Y208 HydrophobicContact CG1-CE2 4.23Å; V114-Y208 HydrophobicContact CG1-CG 3.45Å; V114-Y208 VanDerWaalsContact CG1-CG 3.45Å; V114-Y208 HydrophobicContact CG2-CD2 4.41Å; V114-Y208 HydrophobicContact CG2-CE2 4.18Å; N205-Y208 PolarHBondContact OD1-N 2.85Å
209G96.4Very high95.9Very high29 Ų2924.8 Ų24.830%0.29914%0.139SC..EExtended strand (participates in β ladder)trans78.6-156.3-177.700000113N193 S204 N205N193-G209 PolarHBondContact ND2-O 3.05Å; S204-G209 WeakPolarHBondContact CA-O 3.48Å; S204-G209 PolarHBondContact OG-O 3.4Å; N205-G209 PolarHBondContact N-O 3.26Å; N205-G209 VanDerWaalsContact N-O 3.14Å; N205-G209 VanDerWaalsContact O-CA 3.22Å; N205-G209 WeakPolarHBondContact O-CA 3.19Å; N205-G209 PolarHBondContact O-N 3.04Å
210R96.4Very high96Very high89 Ų8923.2 Ų23.234%0.33613%0.131SC..EExtended strand (participates in β ladder)trans-93.1138.3-175.2171.2-174.3173.4-110.52110.8N111 C203 S204 P217 R219 D487N111-R210 WeakPolarHBondContact CB-O 3.49Å; N111-R210 PolarHBondContact ND2-O 2.82Å; C203-R210 WeakPolarHBondContact O-CA 3.33Å; S204-R210 WeakPolarHBondContact OG-CA 3.43Å; S204-R210 PolarHBondContact OG-N 3.22Å; R210-P217 VanDerWaalsContact CZ-O 3.26Å; R210-P217 PolarHBondContact NH1-O 2.82Å; R210-P217 PolarHBondContact NH2-O 3.18Å; R210-R219 PolarHBondContact NH2-O 3.01Å; R210-D487 IonicContact CZ-OD2 3.22Å; R210-D487 VanDerWaalsContact CZ-OD2 3.22Å; R210-D487 IonicContact NE-OD1 3.95Å; R210-D487 IonicContact NE-OD2 2.72Å; R210-D487 PolarHBondContact NE-OD2 3.08Å; R210-D487 IonicContact NH2-OD2 2.87Å; R210-D487 PolarHBondContact NH2-OD2 3.04Å
211T97.9Very high96.2Very high0 Ų023 Ų230%013%0.13CC..PPolyproline II helixtrans-90.7129.8161.8-58.40000109.9S110 N111 C112 N193 C203 T230S110-T211 CarbonylContact O-C 3.5Å; S110-T211 WeakPolarHBondContact O-CA 3.44Å; S110-T211 WeakPolarHBondContact O-CG2 3.12Å; N111-T211 WeakPolarHBondContact O-CB 3.3Å; N111-T211 PolarHBondContact O-OG1 3.44Å; C112-T211 HydrophobicContact CB-CG2 3.78Å; N193-T211 WeakPolarHBondContact CB-OG1 3.33Å; N193-T211 PolarHBondContact ND2-OG1 2.82Å; C203-T211 PolarHBondContact O-N 2.92Å; T211-T230 HydrophobicContact CG2-CG2 4.28Å
212A96.7Very high96.3Very high5 Ų522.2 Ų22.24%0.04113%0.127CC..BIsolated β-bridgetrans-85.7155177.600000111.7S110 P217 T230S110-A212 PolarHBondContact O-N 3.32Å; A212-P217 HydrophobicContact CB-CB 4.37Å; A212-T230 WeakPolarHBondContact O-CG2 3.32Å; A212-T230 PolarHBondContact O-OG1 2.92Å
213H97.7Very high96.3Very high2 Ų222.2 Ų22.21%0.00913%0.126CC..PPolyproline II helixtrans-62.9139.6170.4-177.9-82000111.2T215 H216 R219 T220 F255H213-T215 VanDerWaalsContact C-N 3.34Å; H213-T215 PolarHBondContact CE1-OG1 3.39Å; H213-T215 PolarHBondContact ND1-N 2.8Å; H213-T215 PolarHBondContact O-N 2.78Å; H213-H216 WeakPolarHBondContact CB-O 3.49Å; H213-H216 AromaticContact CE1-ND1 3.85Å; H213-H216 PolarHBondContact ND1-N 2.87Å; H213-H216 VanDerWaalsContact ND1-N 3.15Å; H213-H216 AromaticContact ND1-ND1 3.94Å; H213-R219 HydrophobicContact CB-CB 4.05Å; H213-R219 VanDerWaalsContact CB-O 3.24Å; H213-R219 WeakPolarHBondContact CB-O 3.42Å; H213-R219 PolarHBondContact N-O 2.92Å; H213-T220 PolarHBondContact CD2-O 3.04Å; H213-T220 VanDerWaalsContact CD2-O 3.31Å; H213-F255 PolarHBondContact NE2-O 2.73Å
214P96.7Very high96.2Very high12 Ų1222.4 Ų22.48%0.07813%0.128CC..SBendtrans-61.4-35.4-169.421.8-34.5000114.6T230 R233 L234P214-T230 HydrophobicContact CB-CG2 4.17Å; P214-R233 HydrophobicContact CB-CB 3.94Å; P214-R233 HydrophobicContact CB-CG 3.73Å; P214-R233 HydrophobicContact CG-CB 3.86Å; P214-R233 HydrophobicContact CG-CG 3.62Å; P214-L234 HydrophobicContact CB-CD1 4.12Å; P214-L234 HydrophobicContact CB-CD2 3.88Å; P214-L234 HydrophobicContact CB-CG 3.74Å
215T94.2Very high96.3Very high65 Ų6521.8 Ų21.840%0.39912%0.123SC..SBendtrans-114.5-6.6-177.159.20000114.1H213H213-T215 VanDerWaalsContact C-N 3.34Å; H213-T215 PolarHBondContact CE1-OG1 3.39Å; H213-T215 PolarHBondContact ND1-N 2.8Å; H213-T215 PolarHBondContact O-N 2.78Å
216H95.7Very high96.3Very high34 Ų3421.7 Ų21.716%0.15712%0.123CC..  trans-141.875.3-173.7-67.873000109.6H213 D218 R219 V551 L553H213-H216 WeakPolarHBondContact CB-O 3.49Å; H213-H216 AromaticContact CE1-ND1 3.85Å; H213-H216 PolarHBondContact ND1-N 2.87Å; H213-H216 VanDerWaalsContact ND1-N 3.15Å; H213-H216 AromaticContact ND1-ND1 3.94Å; H216-D218 PolarHBondContact O-N 3.1Å; H216-R219 HydrophobicContact CB-CB 4.17Å; H216-R219 HydrophobicContact CB-CG 3.78Å; H216-R219 WeakPolarHBondContact O-CB 3.41Å; H216-R219 PolarHBondContact O-N 2.82Å; H216-V551 PolarHBondContact NE2-O 3.12Å; H216-L553 HydrophobicContact CB-CD2 3.92Å
217P94.1Very high96.4Very high71 Ų7120.5 Ų20.546%0.46112%0.115SC..THydrogen-bonded Turntrans-60.1-14.7-163.9-27.336000116.4R210 A212R210-P217 VanDerWaalsContact CZ-O 3.26Å; R210-P217 PolarHBondContact NH1-O 2.82Å; R210-P217 PolarHBondContact NH2-O 3.18Å; A212-P217 HydrophobicContact CB-CB 4.37Å
218D94Very high96.4Very high95 Ų9520.3 Ų20.351%0.50811%0.114SC..THydrogen-bonded Turntrans-82.9-9.8173.870.7-45.2000113.8H216H216-D218 PolarHBondContact O-N 3.1Å
219R96.3Very high96.5Very high4 Ų419.5 Ų19.52%0.01511%0.111CC..SBendtrans-101.4161.5177.9-52.2-59.9173133.5-1112.2R210 H213 H216 A484 Y543 S548 G549 L553R210-R219 PolarHBondContact NH2-O 3.01Å; H213-R219 HydrophobicContact CB-CB 4.05Å; H213-R219 VanDerWaalsContact CB-O 3.24Å; H213-R219 WeakPolarHBondContact CB-O 3.42Å; H213-R219 PolarHBondContact N-O 2.92Å; H216-R219 HydrophobicContact CB-CB 4.17Å; H216-R219 HydrophobicContact CB-CG 3.78Å; H216-R219 WeakPolarHBondContact O-CB 3.41Å; H216-R219 PolarHBondContact O-N 2.82Å; R219-A484 HydrophobicContact CB-CB 3.94Å; R219-Y543 PolarHBondContact NH1-O 3.34Å; R219-S548 PolarHBondContact NH2-O 3.23Å; R219-G549 PolarHBondContact NH2-O 3.42Å; R219-L553 HydrophobicContact CG-CD2 4.38Å
220T96.8Very high96.6Very high0 Ų018.1 Ų18.10%010%0.097CC..BIsolated β-bridgetrans-79.8144.6175.5-163.10000111.9Y201 A202 H213 G222 F255 A484 L485 D487 M490Y201-T220 PolarHBondContact O-OG1 3.44Å; A202-T220 WeakPolarHBondContact CA-OG1 3.49Å; H213-T220 PolarHBondContact CD2-O 3.04Å; H213-T220 VanDerWaalsContact CD2-O 3.31Å; T220-G222 PolarHBondContact O-N 3.46Å; T220-G222 PolarHBondContact OG1-N 3Å; T220-F255 HydrophobicContact CG2-CD2 3.85Å; T220-F255 HydrophobicContact CG2-CE2 3.87Å; T220-A484 WeakPolarHBondContact O-CB 3.39Å; T220-L485 WeakPolarHBondContact CB-O 3.27Å; T220-L485 WeakPolarHBondContact CG2-O 3.34Å; T220-L485 PolarHBondContact N-O 2.87Å; T220-D487 WeakPolarHBondContact CA-OD2 3.46Å; T220-D487 WeakPolarHBondContact CB-OD1 3.47Å; T220-D487 PolarHBondContact OG1-OD1 3.42Å; T220-M490 HydrophobicContact CG2-CG 3.75Å; T220-M490 HydrophobicContact CG2-SD 4.26Å
221C96.7Very high96.7Very high0 Ų013.9 Ų13.90%08%0.081CC..  trans-83.14.7170.559.30000113.7C203 G226 T230 P252 S256C203-C221 WeakPolarHBondContact CB-SG 3.23Å; C221-G226 VanDerWaalsContact SG-C 3.54Å; C221-G226 WeakPolarHBondContact SG-CA 3.08Å; C221-G226 PolarHBondContact SG-O 2.71Å; C221-G226 VanDerWaalsContact SG-O 3.38Å; C221-T230 WeakPolarHBondContact CB-OG1 3.35Å; C221-P252 VanDerWaalsContact O-CA 3.26Å; C221-P252 WeakPolarHBondContact O-CA 3.42Å; C221-S256 PolarHBondContact O-OG 3.47Å
222G96Very high96.7Very high0 Ų013.9 Ų13.90%08%0.081CC..  trans86.5178.1-174.100000112Y201 C203 T220 G226Y201-G222 CarbonylContact O-C 3.47Å; Y201-G222 WeakPolarHBondContact O-CA 3.44Å; C203-G222 WeakPolarHBondContact CB-O 3.33Å; T220-G222 PolarHBondContact O-N 3.46Å; T220-G222 PolarHBondContact OG1-N 3Å; G222-G226 WeakPolarHBondContact O-CA 3.32Å
223G93.7Very high96.8Very high0 Ų015.8 Ų15.80%09%0.087CC..SBendtrans-159.9166.4176.400000114.1S200 Y201 S248S200-G223 CarbonylContact O-C 3.08Å; S200-G223 WeakPolarHBondContact O-CA 3.32Å; Y201-G223 WeakPolarHBondContact CD1-O 3.43Å; Y201-G223 PolarHBondContact O-N 3.06Å; G223-S248 VanDerWaalsContact O-CA 3.32Å; G223-S248 WeakPolarHBondContact O-CA 3.37Å; G223-S248 PolarHBondContact O-OG 3.16Å
224S95.3Very high96.8Very high4 Ų416.8 Ų16.83%0.0289%0.092CC..SBendcis-86-3.22.347.60000115.3K149 P195 L198 G226 S248K149-S224 PolarHBondContact NZ-OG 2.99Å; P195-S224 VanDerWaalsContact CD-CB 3.42Å; P195-S224 WeakPolarHBondContact CD-O 3.24Å; P195-S224 VanDerWaalsContact CG-CB 3.44Å; L198-S224 WeakPolarHBondContact O-CB 3.34Å; L198-S224 PolarHBondContact O-OG 3.12Å; S224-G226 VanDerWaalsContact C-N 3.3Å; S224-G226 PolarHBondContact O-N 2.92Å; S224-S248 PolarHBondContact N-OG 2.9Å; S224-S248 VanDerWaalsContact N-OG 3.11Å; S224-S248 WeakPolarHBondContact OG-CB 3.41Å; S224-S248 PolarHBondContact OG-OG 3.4Å
225T98.1Very high96.8Very high0 Ų017.2 Ų17.20%010%0.097CC..SBendtrans-9643.9178.9-36.90000112K149 E228 A229 G243 S248 P252 M290K149-T225 HydrophobicContact CB-CG2 4.16Å; K149-T225 HydrophobicContact CD-CG2 3.95Å; K149-T225 HydrophobicContact CG-CG2 4.19Å; K149-T225 PolarHBondContact NZ-OG1 3.32Å; T225-E228 HydrophobicContact CG2-CB 3.63Å; T225-E228 HydrophobicContact CG2-CG 3.33Å; T225-A229 PolarHBondContact O-N 3.11Å; T225-G243 PolarHBondContact OG1-N 2.85Å; T225-G243 PolarHBondContact OG1-O 2.92Å; T225-S248 WeakPolarHBondContact CB-O 3.39Å; T225-S248 PolarHBondContact N-O 3.07Å; T225-S248 PolarHBondContact OG1-O 3.19Å; T225-P252 WeakPolarHBondContact O-CB 3.13Å; T225-M290 HydrophobicContact CG2-CE 4.39Å; T225-M290 HydrophobicContact CG2-SD 3.51Å; T225-M290 VanDerWaalsContact CG2-SD 3.51Å
226G97.9Very high97Very high0 Ų014.1 Ų14.10%08%0.078CC..Hα-helixtrans-72.4-33.7-178.100000113.4C221 G222 S224 A229 T230C221-G226 VanDerWaalsContact SG-C 3.54Å; C221-G226 WeakPolarHBondContact SG-CA 3.08Å; C221-G226 PolarHBondContact SG-O 2.71Å; C221-G226 VanDerWaalsContact SG-O 3.38Å; G222-G226 WeakPolarHBondContact O-CA 3.32Å; S224-G226 VanDerWaalsContact C-N 3.3Å; S224-G226 PolarHBondContact O-N 2.92Å; G226-A229 PolarHBondContact O-N 3.39Å; G226-T230 PolarHBondContact O-N 2.96Å; G226-T230 VanDerWaalsContact O-N 3.07Å; G226-T230 PolarHBondContact O-OG1 2.89Å
227G98.5Very high97.2Very high0 Ų012.5 Ų12.50%07%0.07CC..Hα-helixtrans-58.6-53.317500000112.7C112 N193 A229 T230 L231C112-G227 WeakPolarHBondContact CB-O 3.24Å; N193-G227 PolarHBondContact O-N 2.82Å; G227-A229 VanDerWaalsContact C-N 3.3Å; G227-A229 PolarHBondContact O-N 3.27Å; G227-T230 PolarHBondContact O-N 2.72Å; G227-L231 WeakPolarHBondContact O-CB 3.36Å; G227-L231 PolarHBondContact O-N 2.91Å
228E98.7Very high97.4Very high0 Ų09.2 Ų9.20%05%0.049CC..Hα-helixtrans-55.9-45.8174.4-61.8-64.5132.100111.6S147 V148 K149 T192 T225 T230 L231 I232 G240 M290S147-E228 VanDerWaalsContact CB-OE2 3.24Å; S147-E228 WeakPolarHBondContact CB-OE2 3.24Å; S147-E228 PolarHBondContact OG-OE2 3.37Å; V148-E228 WeakPolarHBondContact CA-OE1 3.42Å; V148-E228 PolarHBondContact N-OE1 3.46Å; V148-E228 VanDerWaalsContact N-OE1 3.09Å; K149-E228 HydrophobicContact CB-CG 4.43Å; K149-E228 PolarHBondContact N-OE1 2.78Å; K149-E228 VanDerWaalsContact N-OE1 3.12Å; T192-E228 VanDerWaalsContact CB-OE1 3.28Å; T192-E228 WeakPolarHBondContact CB-OE1 3.17Å; T192-E228 HydrophobicContact CG2-CG 4.43Å; T192-E228 WeakPolarHBondContact CG2-OE1 3.44Å; T192-E228 VanDerWaalsContact OG1-CD 3.24Å; T192-E228 VanDerWaalsContact OG1-CG 3.29Å; T192-E228 WeakPolarHBondContact OG1-CG 3.33Å; T192-E228 PolarHBondContact OG1-N 3.19Å; T192-E228 PolarHBondContact OG1-OE1 3.32Å; T225-E228 HydrophobicContact CG2-CB 3.63Å; T225-E228 HydrophobicContact CG2-CG 3.33Å; E228-T230 PolarHBondContact O-N 3.31Å; E228-L231 PolarHBondContact O-N 2.86Å; E228-I232 HydrophobicContact CB-CD1 4.13Å; E228-I232 WeakPolarHBondContact O-CB 3.12Å; E228-I232 WeakPolarHBondContact O-CD1 3.46Å; E228-I232 VanDerWaalsContact O-CG1 3.24Å; E228-I232 WeakPolarHBondContact O-CG1 3.16Å; E228-I232 PolarHBondContact O-N 2.88Å; E228-G240 WeakPolarHBondContact OE2-CA 3.19Å; E228-M290 HydrophobicContact CB-CE 4.37Å; E228-M290 HydrophobicContact CB-SD 4.23Å
229A98.7Very high97.6Very high0 Ų04.7 Ų4.70%03%0.025CC..Hα-helixtrans-61.1-45.6-174.100000112.1T225 G226 G227 R233 P252 S256 I258 M290T225-A229 PolarHBondContact O-N 3.11Å; G226-A229 PolarHBondContact O-N 3.39Å; G227-A229 VanDerWaalsContact C-N 3.3Å; G227-A229 PolarHBondContact O-N 3.27Å; A229-R233 VanDerWaalsContact O-CB 3.27Å; A229-R233 WeakPolarHBondContact O-CB 3.43Å; A229-R233 PolarHBondContact O-N 2.98Å; A229-R233 VanDerWaalsContact O-N 3.1Å; A229-P252 HydrophobicContact CB-CB 3.56Å; A229-P252 WeakPolarHBondContact CB-O 3.25Å; A229-S256 VanDerWaalsContact CB-OG 3.3Å; A229-S256 WeakPolarHBondContact CB-OG 3.18Å; A229-I258 HydrophobicContact CB-CD1 4.16Å; A229-M290 HydrophobicContact CB-CE 3.84Å
230T98.6Very high97.7Very high0 Ų04.5 Ų4.50%02%0.024CC..Hα-helixtrans-65.2-45.3174.2-62.20000111.7C112 T211 A212 P214 C221 G226 G227 E228 R233 L234C112-T230 HydrophobicContact CB-CG2 4Å; T211-T230 HydrophobicContact CG2-CG2 4.28Å; A212-T230 WeakPolarHBondContact O-CG2 3.32Å; A212-T230 PolarHBondContact O-OG1 2.92Å; P214-T230 HydrophobicContact CB-CG2 4.17Å; C221-T230 WeakPolarHBondContact CB-OG1 3.35Å; G226-T230 PolarHBondContact O-N 2.96Å; G226-T230 VanDerWaalsContact O-N 3.07Å; G226-T230 PolarHBondContact O-OG1 2.89Å; G227-T230 PolarHBondContact O-N 2.72Å; E228-T230 PolarHBondContact O-N 3.31Å; T230-R233 PolarHBondContact O-N 3.27Å; T230-L234 HydrophobicContact CG2-CD1 3.78Å; T230-L234 WeakPolarHBondContact O-CB 3.4Å; T230-L234 WeakPolarHBondContact O-CG 3.46Å; T230-L234 PolarHBondContact O-N 2.96Å; T230-L234 VanDerWaalsContact O-N 3.13Å
231L98.7Very high97.8Very high0 Ų04.5 Ų4.50%02%0.024CC..Hα-helixtrans-61.9-47.5-177.8-17962.4000112.1A101 L104 C112 V113 F189 T192 G227 E228 L234 A235 G236A101-L231 HydrophobicContact CB-CD1 4Å; L104-L231 HydrophobicContact CD1-CD1 3.66Å; C112-L231 HydrophobicContact CB-CB 4.39Å; V113-L231 HydrophobicContact CG2-CD1 3.88Å; V113-L231 HydrophobicContact CG2-CD2 4.01Å; F189-L231 HydrophobicContact CZ-CD2 4.39Å; T192-L231 HydrophobicContact CG2-CB 4.44Å; T192-L231 HydrophobicContact CG2-CD2 3.59Å; G227-L231 WeakPolarHBondContact O-CB 3.36Å; G227-L231 PolarHBondContact O-N 2.91Å; E228-L231 PolarHBondContact O-N 2.86Å; L231-L234 PolarHBondContact O-N 3.35Å; L231-A235 PolarHBondContact O-N 2.99Å; L231-G236 WeakPolarHBondContact O-CA 3.23Å; L231-G236 PolarHBondContact O-N 3.24Å
232I98.7Very high97.9Very high0 Ų04.5 Ų4.50%02%0.024CC..Hα-helixtrans-65.2-45.1179.4-67.9163.2000110.6E228 L234 A235 I258 M290 R292E228-I232 HydrophobicContact CB-CD1 4.13Å; E228-I232 WeakPolarHBondContact O-CB 3.12Å; E228-I232 WeakPolarHBondContact O-CD1 3.46Å; E228-I232 VanDerWaalsContact O-CG1 3.24Å; E228-I232 WeakPolarHBondContact O-CG1 3.16Å; E228-I232 PolarHBondContact O-N 2.88Å; I232-L234 PolarHBondContact O-N 2.88Å; I232-A235 PolarHBondContact O-N 3.46Å; I232-I258 HydrophobicContact CB-CD1 3.94Å; I232-I258 HydrophobicContact CD1-CD1 4Å; I232-I258 HydrophobicContact CG2-CB 4.44Å; I232-I258 HydrophobicContact CG2-CD1 3.88Å; I232-I258 HydrophobicContact CG2-CG2 4.11Å; I232-M290 HydrophobicContact CD1-CB 3.61Å; I232-M290 WeakPolarHBondContact CD1-O 3.43Å; I232-R292 HydrophobicContact CG2-CG 3.77Å
233R98.1Very high97.9Very high44 Ų445 Ų517%0.1663%0.029CC..Hα-helixtrans-59.5-37.4-179.9-178.559.1176.1114.70.1111.9P214 A229 T230 A235 S256 I258 F590P214-R233 HydrophobicContact CB-CB 3.94Å; P214-R233 HydrophobicContact CB-CG 3.73Å; P214-R233 HydrophobicContact CG-CB 3.86Å; P214-R233 HydrophobicContact CG-CG 3.62Å; A229-R233 VanDerWaalsContact O-CB 3.27Å; A229-R233 WeakPolarHBondContact O-CB 3.43Å; A229-R233 PolarHBondContact O-N 2.98Å; A229-R233 VanDerWaalsContact O-N 3.1Å; T230-R233 PolarHBondContact O-N 3.27Å; R233-A235 PolarHBondContact O-N 3.49Å; R233-S256 WeakPolarHBondContact CD-O 3.4Å; R233-S256 WeakPolarHBondContact CG-O 3.24Å; R233-S256 PolarHBondContact NE-O 3.13Å; R233-I258 HydrophobicContact CB-CG2 3.71Å; R233-I258 HydrophobicContact CG-CG2 4.34Å; R233-F590 PolarHBondContact NH1-O 3.05Å; R233-F590 PolarHBondContact NH2-O 3.48Å
234L97.7Very high98.1Very high23 Ų235 Ų512%0.123%0.029CC..THydrogen-bonded Turntrans-8714.5-180-64173.7000113.7R100 L104 T108 P214 T230 L231 I232 G236R100-L234 PolarHBondContact NE-O 3.28Å; R100-L234 PolarHBondContact NH2-O 2.67Å; R100-L234 VanDerWaalsContact NH2-O 3.16Å; L104-L234 HydrophobicContact CD1-CB 3.64Å; L104-L234 HydrophobicContact CD1-CD1 4.18Å; L104-L234 HydrophobicContact CD2-CB 3.59Å; L104-L234 HydrophobicContact CD2-CD1 4.11Å; L104-L234 HydrophobicContact CD2-CG 4.39Å; L104-L234 HydrophobicContact CG-CB 4.24Å; T108-L234 HydrophobicContact CG2-CD1 4.33Å; P214-L234 HydrophobicContact CB-CD1 4.12Å; P214-L234 HydrophobicContact CB-CD2 3.88Å; P214-L234 HydrophobicContact CB-CG 3.74Å; T230-L234 HydrophobicContact CG2-CD1 3.78Å; T230-L234 WeakPolarHBondContact O-CB 3.4Å; T230-L234 WeakPolarHBondContact O-CG 3.46Å; T230-L234 PolarHBondContact O-N 2.96Å; T230-L234 VanDerWaalsContact O-N 3.13Å; L231-L234 PolarHBondContact O-N 3.35Å; I232-L234 PolarHBondContact O-N 2.88Å; L234-G236 PolarHBondContact O-N 2.91Å
235A97.4Very high98Very high21 Ų215.5 Ų5.517%0.1743%0.032CC..THydrogen-bonded Turntrans60.917.8-179.200000115.2R100 L231 I232 R233 S237R100-A235 WeakPolarHBondContact CG-O 3.23Å; L231-A235 PolarHBondContact O-N 2.99Å; I232-A235 PolarHBondContact O-N 3.46Å; R233-A235 PolarHBondContact O-N 3.49Å; A235-S237 VanDerWaalsContact C-N 3.26Å
236G98Very high97.8Very high0 Ų06 Ų60%04%0.036CC..SBendtrans-80.8-5.5173.200000113.7F189 L231 L234F189-G236 VanDerWaalsContact CZ-O 3.23Å; F189-G236 WeakPolarHBondContact CZ-O 3.5Å; L231-G236 WeakPolarHBondContact O-CA 3.23Å; L231-G236 PolarHBondContact O-N 3.24Å; L234-G236 PolarHBondContact O-N 2.91Å
237S98.6Very high97.8Very high0 Ų06 Ų60%04%0.036CC..  trans-149.5148.7168.4-179.30000109.9S147 A235 L239 R292S147-S237 WeakPolarHBondContact OG-CB 3.06Å; S147-S237 PolarHBondContact OG-OG 2.79Å; A235-S237 VanDerWaalsContact C-N 3.26Å; S237-L239 PolarHBondContact OG-N 3.36Å; S237-L239 PolarHBondContact OG-O 3.33Å; S237-L239 VanDerWaalsContact OG-O 3.08Å; S237-R292 PolarHBondContact O-NH1 3.39Å
238I98.5Very high97.7Very high3 Ų36.4 Ų6.42%0.0154%0.039CC..SBendtrans-92.6-30174.9-161.7168.8000112.5L76 L79 Y97 I144 P145L76-I238 HydrophobicContact CB-CD1 4.04Å; L76-I238 HydrophobicContact CB-CG1 4.41Å; L76-I238 HydrophobicContact CD1-CD1 4Å; L76-I238 HydrophobicContact CD1-CG1 4.42Å; L76-I238 HydrophobicContact CD1-CG2 4.48Å; L79-I238 HydrophobicContact CB-CD1 4.2Å; L79-I238 HydrophobicContact CD2-CD1 3.49Å; L79-I238 VanDerWaalsContact CD2-CD1 3.49Å; L79-I238 HydrophobicContact CG-CD1 4.49Å; Y97-I238 HydrophobicContact CE1-CB 3.96Å; Y97-I238 WeakPolarHBondContact OH-CB 3.36Å; I144-I238 HydrophobicContact CG2-CG2 3.92Å; P145-I238 WeakPolarHBondContact O-CG2 3.38Å
239L98.8Very high97.7Very high0 Ų06.4 Ų6.40%04%0.039CC..EExtended strand (participates in β ladder)trans-150.8130.9-176.6178.764.6000109.3F141 I146 S147 S237 P289 A291 F300F141-L239 HydrophobicContact CE1-CD2 4.23Å; I146-L239 WeakPolarHBondContact CA-O 3.35Å; I146-L239 HydrophobicContact CG2-CB 4.24Å; I146-L239 HydrophobicContact CG2-CD2 4.12Å; I146-L239 HydrophobicContact CG2-CG 4.31Å; S147-L239 PolarHBondContact N-O 3.36Å; S147-L239 VanDerWaalsContact N-O 3.1Å; S237-L239 PolarHBondContact OG-N 3.36Å; S237-L239 PolarHBondContact OG-O 3.33Å; S237-L239 VanDerWaalsContact OG-O 3.08Å; L239-P289 HydrophobicContact CD1-CB 4.09Å; L239-A291 HydrophobicContact CD1-CB 4.29Å; L239-F300 HydrophobicContact CD1-CB 4.37Å; L239-F300 HydrophobicContact CD2-CD2 4.15Å
240G98.7Very high97.7Very high0 Ų06.4 Ų6.40%04%0.039CC..EExtended strand (participates in β ladder)trans-127.4152.4-178.200000113.4S147 E228 P289 M290S147-G240 VanDerWaalsContact O-CA 3.32Å; S147-G240 WeakPolarHBondContact O-CA 3.27Å; E228-G240 WeakPolarHBondContact OE2-CA 3.19Å; G240-P289 CarbonylContact O-C 3.59Å; G240-P289 WeakPolarHBondContact O-CA 3.42Å; G240-M290 PolarHBondContact N-O 3.43Å; G240-M290 PolarHBondContact O-N 3.29Å
241I98.6Very high97.7Very high0 Ų06.4 Ų6.40%04%0.039CC..EExtended strand (participates in β ladder)trans-107.2113.3176.8-49.9-56.6000110.1S147 K149 L181 F300S147-I241 PolarHBondContact O-N 3.47Å; K149-I241 WeakPolarHBondContact CB-O 3.22Å; K149-I241 PolarHBondContact N-O 2.82Å; L181-I241 HydrophobicContact CD1-CD1 3.87Å; L181-I241 HydrophobicContact CD1-CG1 4.04Å; I241-F300 HydrophobicContact CD1-CD2 4.03Å; I241-F300 HydrophobicContact CD1-CE2 3.25Å; I241-F300 HydrophobicContact CD1-CZ 3.68Å
242G98Very high97.7Very high0 Ų06.4 Ų6.40%04%0.039CC..EExtended strand (participates in β ladder)trans-105.2178.8176.800000113.6L287 G288G242-L287 WeakPolarHBondContact O-CA 3.35Å; G242-L287 VanDerWaalsContact O-CD2 3.24Å; G242-L287 WeakPolarHBondContact O-CD2 3.41Å; G242-G288 PolarHBondContact N-O 3.1Å; G242-G288 PolarHBondContact O-N 3.16Å; G242-G288 VanDerWaalsContact O-N 3.16Å
243G97Very high97.7Very high10 Ų106.4 Ų6.410%0.1034%0.039CC..EExtended strand (participates in β ladder)trans-139.6140.7173.200000112.1K149 T225 S248 T286K149-G243 PolarHBondContact NZ-O 2.95Å; K149-G243 VanDerWaalsContact NZ-O 3.14Å; T225-G243 PolarHBondContact OG1-N 2.85Å; T225-G243 PolarHBondContact OG1-O 2.92Å; G243-S248 CarbonylContact O-C 3.51Å; G243-S248 WeakPolarHBondContact O-CB 3.37Å; G243-T286 CarbonylContact C-O 3.41Å; G243-T286 WeakPolarHBondContact CA-O 3.33Å
244D97.4Very high97.7Very high1 Ų14.3 Ų4.31%0.0053%0.032CC..EExtended strand (participates in β ladder)trans-138.8119.7-169.3-171.2-39000112.3G246 G247 S248 I249 R250 K262 A285 T286 N504D244-G246 PolarHBondContact OD1-N 3.01Å; D244-G246 VanDerWaalsContact OD1-N 3.1Å; D244-G247 WeakPolarHBondContact OD1-CA 3.44Å; D244-G247 PolarHBondContact OD1-N 3.28Å; D244-G247 WeakPolarHBondContact OD2-CA 3.34Å; D244-G247 PolarHBondContact OD2-N 2.84Å; D244-S248 VanDerWaalsContact CG-N 3.31Å; D244-S248 PolarHBondContact OD2-N 3.34Å; D244-I249 HydrophobicContact CB-CB 3.95Å; D244-I249 HydrophobicContact CB-CD1 3.8Å; D244-I249 HydrophobicContact CB-CG1 3.84Å; D244-I249 PolarHBondContact OD2-N 3.48Å; D244-R250 IonicContact OD1-NH2 3.78Å; D244-R250 PolarHBondContact OD1-NH2 3.18Å; D244-R250 VanDerWaalsContact OD1-NH2 3.12Å; D244-R250 IonicContact OD2-CZ 3.87Å; D244-R250 IonicContact OD2-NE 2.92Å; D244-R250 PolarHBondContact OD2-NE 3.33Å; D244-R250 IonicContact OD2-NH2 3.15Å; D244-R250 PolarHBondContact OD2-NH2 3.4Å; D244-K262 HydrophobicContact CB-CB 4.23Å; D244-K262 HydrophobicContact CB-CD 4.3Å; D244-K262 HydrophobicContact CB-CG 3.89Å; D244-A285 CarbonylContact O-C 3.48Å; D244-A285 WeakPolarHBondContact O-CA 3.28Å; D244-T286 PolarHBondContact N-O 3.1Å; D244-T286 PolarHBondContact O-N 3.19Å; D244-N504 PolarHBondContact O-ND2 2.86Å; D244-N504 PolarHBondContact OD1-ND2 3.12Å; D244-N504 PolarHBondContact OD1-OD1 3.11Å
245V93.9Very high97.8Very high13 Ų133.2 Ų3.28%0.0793%0.026CC..SBendtrans-127.310.2171.771.90000112.2R280 M283 A285 N504V245-R280 VanDerWaalsContact CG2-NH1 3.32Å; V245-M283 HydrophobicContact CG2-CE 3.99Å; V245-M283 HydrophobicContact CG2-CG 4.28Å; V245-M283 WeakPolarHBondContact O-CE 3.33Å; V245-A285 HydrophobicContact CB-CB 3.98Å; V245-A285 HydrophobicContact CG2-CB 4.27Å; V245-N504 VanDerWaalsContact C-CG 3.42Å; V245-N504 VanDerWaalsContact CA-ND2 3.33Å; V245-N504 WeakPolarHBondContact CA-ND2 3.44Å
246G94.2Very high97.8Very high10 Ų102.2 Ų2.210%0.1032%0.018CC..SBendtrans179.722.8-173.300000113.3Y201 D244 N504Y201-G246 PolarHBondContact OH-O 3.12Å; D244-G246 PolarHBondContact OD1-N 3.01Å; D244-G246 VanDerWaalsContact OD1-N 3.1Å; G246-N504 VanDerWaalsContact CA-OD1 3.28Å; G246-N504 WeakPolarHBondContact CA-OD1 3.48Å; G246-N504 VanDerWaalsContact N-CG 3.34Å; G246-N504 PolarHBondContact N-ND2 3.32Å; G246-N504 PolarHBondContact N-OD1 2.68Å
247G96.3Very high97.8Very high0 Ų02.7 Ų2.70%02%0.022CC..SBendtrans101.611.4-172.200000115.1D244 I249 R250 V251 P252 N504D244-G247 WeakPolarHBondContact OD1-CA 3.44Å; D244-G247 PolarHBondContact OD1-N 3.28Å; D244-G247 WeakPolarHBondContact OD2-CA 3.34Å; D244-G247 PolarHBondContact OD2-N 2.84Å; G247-I249 PolarHBondContact O-N 3.03Å; G247-I249 VanDerWaalsContact O-N 3.16Å; G247-R250 PolarHBondContact O-N 3.17Å; G247-V251 VanDerWaalsContact O-CB 3.31Å; G247-V251 WeakPolarHBondContact O-CB 3.33Å; G247-V251 WeakPolarHBondContact O-CG2 3.48Å; G247-V251 PolarHBondContact O-N 3.43Å; G247-P252 WeakPolarHBondContact O-CD 3.35Å; G247-N504 PolarHBondContact N-OD1 3.44Å
248S97.3Very high97.8Very high9 Ų92.7 Ų2.76%0.0632%0.022CC..THydrogen-bonded Turntrans-72.6-4.1-173.3-67.50000115.9G223 S224 T225 G243 D244 P252G223-S248 VanDerWaalsContact O-CA 3.32Å; G223-S248 WeakPolarHBondContact O-CA 3.37Å; G223-S248 PolarHBondContact O-OG 3.16Å; S224-S248 PolarHBondContact N-OG 2.9Å; S224-S248 VanDerWaalsContact N-OG 3.11Å; S224-S248 WeakPolarHBondContact OG-CB 3.41Å; S224-S248 PolarHBondContact OG-OG 3.4Å; T225-S248 WeakPolarHBondContact CB-O 3.39Å; T225-S248 PolarHBondContact N-O 3.07Å; T225-S248 PolarHBondContact OG1-O 3.19Å; G243-S248 CarbonylContact O-C 3.51Å; G243-S248 WeakPolarHBondContact O-CB 3.37Å; D244-S248 VanDerWaalsContact CG-N 3.31Å; D244-S248 PolarHBondContact OD2-N 3.34Å; S248-P252 WeakPolarHBondContact O-CG 3.3Å
249I98.7Very high97.8Very high0 Ų02.6 Ų2.60%02%0.022CC..THydrogen-bonded Turntrans-98.6-48.4161.9-75.4166.3000109.6D244 G247 P252 A253 M290D244-I249 HydrophobicContact CB-CB 3.95Å; D244-I249 HydrophobicContact CB-CD1 3.8Å; D244-I249 HydrophobicContact CB-CG1 3.84Å; D244-I249 PolarHBondContact OD2-N 3.48Å; G247-I249 PolarHBondContact O-N 3.03Å; G247-I249 VanDerWaalsContact O-N 3.16Å; I249-P252 WeakPolarHBondContact O-CD 3.42Å; I249-A253 VanDerWaalsContact O-CB 3.3Å; I249-A253 WeakPolarHBondContact O-CB 3.25Å; I249-A253 PolarHBondContact O-N 3.31Å; I249-A253 VanDerWaalsContact O-N 3.1Å; I249-M290 HydrophobicContact CB-SD 4.34Å; I249-M290 HydrophobicContact CG1-SD 4.2Å; I249-M290 HydrophobicContact CG2-CG 3.74Å; I249-M290 HydrophobicContact CG2-SD 4.03Å
250R98.7Very high97.8Very high0 Ų02.6 Ų2.60%02%0.022CC..Hα-helixtrans-71.2-38.6-169.6-70.2170.8-69.3148.1-0.8114.4D244 G247 A253 H254 P500 N504 V512D244-R250 IonicContact OD1-NH2 3.78Å; D244-R250 PolarHBondContact OD1-NH2 3.18Å; D244-R250 VanDerWaalsContact OD1-NH2 3.12Å; D244-R250 IonicContact OD2-CZ 3.87Å; D244-R250 IonicContact OD2-NE 2.92Å; D244-R250 PolarHBondContact OD2-NE 3.33Å; D244-R250 IonicContact OD2-NH2 3.15Å; D244-R250 PolarHBondContact OD2-NH2 3.4Å; G247-R250 PolarHBondContact O-N 3.17Å; R250-A253 PolarHBondContact O-N 3.42Å; R250-H254 VanDerWaalsContact O-CB 3.27Å; R250-H254 WeakPolarHBondContact O-CB 3.34Å; R250-H254 PolarHBondContact O-N 2.91Å; R250-P500 VanDerWaalsContact CZ-O 3.24Å; R250-P500 PolarHBondContact NH1-O 3.43Å; R250-P500 PolarHBondContact NH2-O 3.28Å; R250-N504 PolarHBondContact NH2-OD1 2.76Å; R250-V512 HydrophobicContact CB-CG2 3.54Å; R250-V512 HydrophobicContact CG-CG2 3.76Å
251V98.3Very high97.8Very high0 Ų02.6 Ų2.60%02%0.022CC..Hα-helixtrans-69.8-47.7178.1174.90000111.4Y201 G247 A253 H254 F255 P500Y201-V251 HydrophobicContact CD1-CB 3.95Å; Y201-V251 HydrophobicContact CD1-CG1 3.73Å; Y201-V251 HydrophobicContact CD1-CG2 4.12Å; Y201-V251 HydrophobicContact CE1-CB 4Å; Y201-V251 HydrophobicContact CE1-CG1 4.2Å; Y201-V251 HydrophobicContact CE1-CG2 3.7Å; Y201-V251 HydrophobicContact CG-CG1 4.41Å; G247-V251 VanDerWaalsContact O-CB 3.31Å; G247-V251 WeakPolarHBondContact O-CB 3.33Å; G247-V251 WeakPolarHBondContact O-CG2 3.48Å; G247-V251 PolarHBondContact O-N 3.43Å; V251-A253 VanDerWaalsContact C-N 3.3Å; V251-A253 PolarHBondContact O-N 3.15Å; V251-H254 PolarHBondContact O-N 3.02Å; V251-F255 HydrophobicContact CG1-CD2 4Å; V251-F255 HydrophobicContact CG1-CE1 4.2Å; V251-F255 HydrophobicContact CG1-CE2 3.65Å; V251-F255 HydrophobicContact CG1-CG 4.41Å; V251-F255 HydrophobicContact CG1-CZ 3.77Å; V251-F255 WeakPolarHBondContact O-CG 3.12Å; V251-F255 PolarHBondContact O-N 3.02Å; V251-P500 HydrophobicContact CG2-CB 4.11Å; V251-P500 HydrophobicContact CG2-CG 3.79Å
252P98.6Very high97.8Very high0 Ų02.6 Ų2.60%02%0.022CC..Hα-helixtrans-57.8-41.2171.2-2430.7000114C221 T225 A229 G247 S248 I249 F255 S256 M290C221-P252 VanDerWaalsContact O-CA 3.26Å; C221-P252 WeakPolarHBondContact O-CA 3.42Å; T225-P252 WeakPolarHBondContact O-CB 3.13Å; A229-P252 HydrophobicContact CB-CB 3.56Å; A229-P252 WeakPolarHBondContact CB-O 3.25Å; G247-P252 WeakPolarHBondContact O-CD 3.35Å; S248-P252 WeakPolarHBondContact O-CG 3.3Å; I249-P252 WeakPolarHBondContact O-CD 3.42Å; P252-F255 PolarHBondContact O-N 2.86Å; P252-S256 VanDerWaalsContact O-CB 3.24Å; P252-S256 WeakPolarHBondContact O-CB 3.31Å; P252-S256 PolarHBondContact O-N 2.9Å; P252-S256 PolarHBondContact O-OG 3.05Å; P252-S256 VanDerWaalsContact O-OG 3.05Å; P252-M290 HydrophobicContact CB-CE 4.17Å
253A98.8Very high97.8Very high0 Ų02.6 Ų2.60%02%0.022CC..Hα-helixtrans-61.9-47.417700000111.9I249 R250 V251 S256 G257 I258 M290 V512I249-A253 VanDerWaalsContact O-CB 3.3Å; I249-A253 WeakPolarHBondContact O-CB 3.25Å; I249-A253 PolarHBondContact O-N 3.31Å; I249-A253 VanDerWaalsContact O-N 3.1Å; R250-A253 PolarHBondContact O-N 3.42Å; V251-A253 VanDerWaalsContact C-N 3.3Å; V251-A253 PolarHBondContact O-N 3.15Å; A253-S256 PolarHBondContact O-N 2.88Å; A253-G257 PolarHBondContact O-N 2.76Å; A253-I258 CarbonylContact C-O 3.58Å; A253-I258 HydrophobicContact CB-CG1 4.02Å; A253-I258 WeakPolarHBondContact CB-O 3.5Å; A253-I258 PolarHBondContact O-N 3.07Å; A253-M290 HydrophobicContact CB-CE 4.38Å; A253-V512 HydrophobicContact CB-CB 4.47Å; A253-V512 HydrophobicContact CB-CG1 4.39Å
254H98.6Very high97.9Very high0 Ų02.1 Ų2.10%02%0.017CC..Hα-helixtrans-58.1-50174.7169.658.6000112.3R250 V251 A479 I482 V512 A556R250-H254 VanDerWaalsContact O-CB 3.27Å; R250-H254 WeakPolarHBondContact O-CB 3.34Å; R250-H254 PolarHBondContact O-N 2.91Å; V251-H254 PolarHBondContact O-N 3.02Å; H254-A479 HydrophobicContact CB-CB 3.84Å; H254-I482 PolarHBondContact NE2-O 2.93Å; H254-V512 HydrophobicContact CB-CG1 4.03Å; H254-A556 HydrophobicContact CB-CB 4.08Å; H254-A556 PolarHBondContact CE1-N 2.83Å; H254-A556 WeakPolarHBondContact ND1-CB 3.4Å; H254-A556 PolarHBondContact ND1-N 3.49Å
255F98.4Very high97.7Very high1 Ų12.8 Ų2.80%0.0042%0.021CC..Hα-helixtrans-66.2-44.6-178.9-70.8-5.2000111.5H213 T220 V251 P252 G257 C480 I482 V483 A484 M490 P554H213-F255 PolarHBondContact NE2-O 2.73Å; T220-F255 HydrophobicContact CG2-CD2 3.85Å; T220-F255 HydrophobicContact CG2-CE2 3.87Å; V251-F255 HydrophobicContact CG1-CD2 4Å; V251-F255 HydrophobicContact CG1-CE1 4.2Å; V251-F255 HydrophobicContact CG1-CE2 3.65Å; V251-F255 HydrophobicContact CG1-CG 4.41Å; V251-F255 HydrophobicContact CG1-CZ 3.77Å; V251-F255 WeakPolarHBondContact O-CG 3.12Å; V251-F255 PolarHBondContact O-N 3.02Å; P252-F255 PolarHBondContact O-N 2.86Å; F255-G257 VanDerWaalsContact C-N 3.34Å; F255-G257 PolarHBondContact O-N 3.25Å; F255-C480 HydrophobicContact CE1-CB 4.33Å; F255-I482 WeakPolarHBondContact CE1-O 3.28Å; F255-V483 VanDerWaalsContact CE1-C 3.45Å; F255-A484 HydrophobicContact CB-CB 4.08Å; F255-A484 HydrophobicContact CD1-CB 4.46Å; F255-A484 HydrophobicContact CD2-CB 4.27Å; F255-A484 HydrophobicContact CG-CB 4.04Å; F255-M490 HydrophobicContact CE2-CE 4.46Å; F255-P554 WeakPolarHBondContact O-CD 3.41Å; F255-P554 WeakPolarHBondContact O-CG 3.34Å
256S98.1Very high97.7Very high0 Ų04.4 Ų4.40%03%0.032CC..Hα-helixtrans-83.3-7.2-174.2-55.70000114.2C221 A229 R233 P252 A253C221-S256 PolarHBondContact O-OG 3.47Å; A229-S256 VanDerWaalsContact CB-OG 3.3Å; A229-S256 WeakPolarHBondContact CB-OG 3.18Å; R233-S256 WeakPolarHBondContact CD-O 3.4Å; R233-S256 WeakPolarHBondContact CG-O 3.24Å; R233-S256 PolarHBondContact NE-O 3.13Å; P252-S256 VanDerWaalsContact O-CB 3.24Å; P252-S256 WeakPolarHBondContact O-CB 3.31Å; P252-S256 PolarHBondContact O-N 2.9Å; P252-S256 PolarHBondContact O-OG 3.05Å; P252-S256 VanDerWaalsContact O-OG 3.05Å; A253-S256 PolarHBondContact O-N 2.88Å
257G98Very high97.8Very high9 Ų94 Ų49%0.0933%0.027CC..THydrogen-bonded Turntrans71.946.1-179.700000113.1A253 F255 P554A253-G257 PolarHBondContact O-N 2.76Å; F255-G257 VanDerWaalsContact C-N 3.34Å; F255-G257 PolarHBondContact O-N 3.25Å; G257-P554 VanDerWaalsContact CA-CB 3.41Å
258I98.7Very high97.8Very high1 Ų14.1 Ų4.11%0.0053%0.028CC..  trans-130.8172.9172.666.9162.9000110.6A229 I232 R233 A253 M290 A291 P514A229-I258 HydrophobicContact CB-CD1 4.16Å; I232-I258 HydrophobicContact CB-CD1 3.94Å; I232-I258 HydrophobicContact CD1-CD1 4Å; I232-I258 HydrophobicContact CG2-CB 4.44Å; I232-I258 HydrophobicContact CG2-CD1 3.88Å; I232-I258 HydrophobicContact CG2-CG2 4.11Å; R233-I258 HydrophobicContact CB-CG2 3.71Å; R233-I258 HydrophobicContact CG-CG2 4.34Å; A253-I258 CarbonylContact C-O 3.58Å; A253-I258 HydrophobicContact CB-CG1 4.02Å; A253-I258 WeakPolarHBondContact CB-O 3.5Å; A253-I258 PolarHBondContact O-N 3.07Å; I258-M290 HydrophobicContact CD1-CB 4.34Å; I258-M290 HydrophobicContact CD1-CE 3.89Å; I258-A291 WeakPolarHBondContact CB-O 3.42Å; I258-P514 WeakPolarHBondContact O-CD 3.4Å; I258-P514 VanDerWaalsContact O-CG 3.25Å; I258-P514 WeakPolarHBondContact O-CG 3.44Å
259C98.9Very high97.8Very high0 Ų03.8 Ų3.80%03%0.025CC..EExtended strand (participates in β ladder)trans-86.5147.3174.4-59.70000111.4M290 A291 L297 V512 P514C259-M290 WeakPolarHBondContact O-CA 3.18Å; C259-A291 WeakPolarHBondContact CA-O 3.35Å; C259-A291 WeakPolarHBondContact CB-O 3.37Å; C259-A291 PolarHBondContact N-O 3.36Å; C259-A291 PolarHBondContact O-N 3.13Å; C259-A291 VanDerWaalsContact O-N 3.11Å; C259-A291 VanDerWaalsContact O-O 3.11Å; C259-L297 HydrophobicContact CB-CD1 3.59Å; C259-L297 HydrophobicContact CB-CG 4.27Å; C259-V512 WeakPolarHBondContact CA-O 3.16Å; C259-P514 WeakPolarHBondContact SG-CD 3.14Å
260G98.8Very high97.5Very high0 Ų06.3 Ų6.30%04%0.037CC..EExtended strand (participates in β ladder)trans-153.7137.6174.100000111.8G511 V512G260-G511 CarbonylContact O-C 3.57Å; G260-G511 WeakPolarHBondContact O-CA 3.25Å; G260-V512 PolarHBondContact N-O 3.27Å; G260-V512 PolarHBondContact O-N 3.44Å
261F98.9Very high97.3Very high0 Ų010.3 Ų10.30%06%0.057CC..EExtended strand (participates in β ladder)trans-122.4129.6-177.3-174.1-116.6000111.4P263 G288 P289 L297 M301 P509 D566 C569 L570 M573F261-P263 HydrophobicContact CD1-CB 4.45Å; F261-P263 HydrophobicContact CD1-CG 3.76Å; F261-P263 HydrophobicContact CE1-CB 4Å; F261-P263 HydrophobicContact CE1-CG 3.8Å; F261-P263 WeakPolarHBondContact O-CD 3.4Å; F261-G288 WeakPolarHBondContact O-CA 3.47Å; F261-P289 HydrophobicContact CB-CG 4.18Å; F261-P289 PolarHBondContact N-O 3.44Å; F261-L297 HydrophobicContact CB-CD1 4.03Å; F261-M301 HydrophobicContact CD1-CG 3.95Å; F261-M301 HydrophobicContact CD1-SD 3.96Å; F261-M301 HydrophobicContact CE1-CE 4.06Å; F261-M301 HydrophobicContact CE1-CG 4.08Å; F261-M301 HydrophobicContact CE1-SD 4.08Å; F261-P509 HydrophobicContact CE2-CB 4.32Å; F261-P509 HydrophobicContact CZ-CB 4.01Å; F261-D566 HydrophobicContact CE1-CB 4.29Å; F261-D566 HydrophobicContact CZ-CB 3.9Å; F261-C569 HydrophobicContact CE2-CB 4.01Å; F261-L570 HydrophobicContact CD1-CD2 4.08Å; F261-L570 HydrophobicContact CD2-CD2 3.89Å; F261-L570 HydrophobicContact CD2-CG 4.38Å; F261-L570 HydrophobicContact CE1-CD1 4.11Å; F261-L570 HydrophobicContact CE1-CD2 4.22Å; F261-L570 HydrophobicContact CE1-CG 4.16Å; F261-L570 HydrophobicContact CE2-CD2 4.05Å; F261-L570 HydrophobicContact CE2-CG 4.02Å; F261-L570 HydrophobicContact CG-CD2 3.93Å; F261-L570 HydrophobicContact CZ-CD1 4.22Å; F261-L570 HydrophobicContact CZ-CD2 4.21Å; F261-L570 HydrophobicContact CZ-CG 3.9Å; F261-M573 HydrophobicContact CD2-SD 3.82Å; F261-M573 HydrophobicContact CE2-SD 4.33Å
262K98.7Very high97.2Very high1 Ų111 Ų110%0.0046%0.064CC..EExtended strand (participates in β ladder)trans-103.7102.1167.4-178.4-152.371.565.50108.2D244 N504 L508 P509 A510D244-K262 HydrophobicContact CB-CB 4.23Å; D244-K262 HydrophobicContact CB-CD 4.3Å; D244-K262 HydrophobicContact CB-CG 3.89Å; K262-N504 VanDerWaalsContact CD-ND2 3.33Å; K262-N504 WeakPolarHBondContact CD-ND2 3.16Å; K262-L508 WeakPolarHBondContact CE-O 3.39Å; K262-L508 PolarHBondContact NZ-O 2.98Å; K262-P509 WeakPolarHBondContact O-CA 3.4Å; K262-A510 WeakPolarHBondContact CA-O 3.41Å; K262-A510 WeakPolarHBondContact CB-O 3.11Å; K262-A510 PolarHBondContact N-O 2.97Å; K262-A510 PolarHBondContact O-N 3.44Å
263P98.4Very high97Very high0 Ų011.9 Ų11.90%07%0.071CC..  trans-58.8171173.9-2333.2000113.2F261 R267 I268 T286 L287 M301 D566F261-P263 HydrophobicContact CD1-CB 4.45Å; F261-P263 HydrophobicContact CD1-CG 3.76Å; F261-P263 HydrophobicContact CE1-CB 4Å; F261-P263 HydrophobicContact CE1-CG 3.8Å; F261-P263 WeakPolarHBondContact O-CD 3.4Å; P263-R267 HydrophobicContact CB-CB 4.22Å; P263-I268 HydrophobicContact CG-CD1 3.81Å; P263-I268 HydrophobicContact CG-CG1 4.31Å; P263-T286 HydrophobicContact CB-CG2 4.13Å; P263-T286 HydrophobicContact CG-CG2 4.39Å; P263-L287 WeakPolarHBondContact CD-O 3.29Å; P263-M301 HydrophobicContact CB-CE 3.92Å; P263-M301 HydrophobicContact CB-SD 4.48Å; P263-M301 HydrophobicContact CG-CE 3.75Å; P263-M301 HydrophobicContact CG-SD 3.66Å; P263-D566 WeakPolarHBondContact CA-OD1 3.48Å; P263-D566 WeakPolarHBondContact CB-OD1 3.43Å
264T97.5Very high96.7Very high0 Ų014.6 Ų14.60%08%0.084CC..  trans-57.4137.3160.7-58.50000109.4T266 R267 P509 H563 A564 D566T264-T266 PolarHBondContact O-N 3.34Å; T264-R267 HydrophobicContact CG2-CG 4.48Å; T264-R267 WeakPolarHBondContact O-CB 3.27Å; T264-R267 PolarHBondContact O-N 2.95Å; T264-P509 WeakPolarHBondContact OG1-CD 3.39Å; T264-H563 WeakPolarHBondContact CG2-CE1 3.47Å; T264-H563 WeakPolarHBondContact CG2-ND1 3.48Å; T264-A564 WeakPolarHBondContact OG1-CA 3.37Å; T264-A564 PolarHBondContact OG1-N 3.2Å; T264-D566 WeakPolarHBondContact CB-OD2 3.38Å; T264-D566 PolarHBondContact N-OD1 3.39Å; T264-D566 PolarHBondContact OG1-OD2 3.39Å
265S94.8Very high96.3Very high14 Ų1416.8 Ų16.810%0.09810%0.098CC..THydrogen-bonded Turntrans-61.5-22.3-166.268.70000115.7T286 D507S265-T286 WeakPolarHBondContact CA-OG1 3.46Å; S265-T286 WeakPolarHBondContact CB-OG1 3.28Å; S265-D507 WeakPolarHBondContact CB-OD1 3.41Å; S265-D507 PolarHBondContact N-OD1 3.05Å; S265-D507 PolarHBondContact OG-OD1 2.87Å; S265-D507 PolarHBondContact OG-OD2 3.36Å
266T93.9Very high95.8Very high48 Ų4817 Ų1729%0.29410%0.1SC..THydrogen-bonded Turntrans-97.27.4179.955.90000113.8T264 V316 M317T264-T266 PolarHBondContact O-N 3.34Å; T266-V316 WeakPolarHBondContact O-CA 3.19Å; T266-V316 WeakPolarHBondContact O-CG1 3.41Å; T266-M317 PolarHBondContact O-N 3.49Å; T266-M317 WeakPolarHBondContact OG1-CG 3.28Å
267R96.3Very high95.5Very high2 Ų217.4 Ų17.41%0.00810%0.102CC..SBendtrans-86.8-27.7178.5-67.5-79.3-68.4-113.12.4113.1P263 T264 L305 V316 D566 E567P263-R267 HydrophobicContact CB-CB 4.22Å; T264-R267 HydrophobicContact CG2-CG 4.48Å; T264-R267 WeakPolarHBondContact O-CB 3.27Å; T264-R267 PolarHBondContact O-N 2.95Å; R267-L305 HydrophobicContact CB-CD2 4.28Å; R267-L305 WeakPolarHBondContact O-CD2 2.98Å; R267-V316 WeakPolarHBondContact O-CG1 3.44Å; R267-D566 IonicContact CZ-OD2 3.54Å; R267-D566 IonicContact NH1-OD2 3.58Å; R267-D566 PolarHBondContact NH1-OD2 3.25Å; R267-E567 IonicContact CZ-OE1 2.96Å; R267-E567 IonicContact CZ-OE2 2.94Å; R267-E567 IonicContact NH1-OE1 3.78Å; R267-E567 IonicContact NH1-OE2 2.67Å; R267-E567 PolarHBondContact NH1-OE2 3.22Å; R267-E567 VanDerWaalsContact NH1-OE2 3.09Å; R267-E567 IonicContact NH2-OE1 3.04Å; R267-E567 PolarHBondContact NH2-OE1 2.93Å; R267-E567 IonicContact NH2-OE2 2.95Å; R267-E567 PolarHBondContact NH2-OE2 2.86Å
268I96.3Very high94.9Very high2 Ų219.9 Ų19.91%0.0112%0.117CC..SBendtrans-129128.9-178.6-57-170.9000109.9V177 P263 Q270 L287 F300 M301 I304V177-I268 HydrophobicContact CG2-CG2 4.27Å; P263-I268 HydrophobicContact CG-CD1 3.81Å; P263-I268 HydrophobicContact CG-CG1 4.31Å; I268-Q270 PolarHBondContact O-N 2.7Å; I268-Q270 PolarHBondContact O-NE2 3.47Å; I268-L287 HydrophobicContact CG2-CB 4.12Å; I268-F300 HydrophobicContact CD1-CE1 3.73Å; I268-F300 HydrophobicContact CD1-CZ 4.44Å; I268-M301 HydrophobicContact CD1-CE 4.25Å; I268-M301 HydrophobicContact CD1-SD 3.85Å; I268-I304 HydrophobicContact CD1-CG2 4.23Å
269S95.6Very high94.2Very high1 Ų123.2 Ų23.21%0.00715%0.151CC..  trans-51.3134.8177.1166.40000111.9N176 I271 D313N176-S269 WeakPolarHBondContact CB-OG 3.24Å; N176-S269 PolarHBondContact ND2-OG 3.32Å; S269-I271 WeakPolarHBondContact OG-CB 3.03Å; S269-I271 PolarHBondContact OG-N 3.28Å; S269-D313 WeakPolarHBondContact CB-OD2 3.45Å; S269-D313 PolarHBondContact OG-OD2 2.92Å
270Q93.3Very high93.2Very high53 Ų5324.1 Ų24.125%0.24815%0.154CC..  trans-94.7-3.2170.4-65.7-58.9-67.400112.5I268 G272 S273 A285I268-Q270 PolarHBondContact O-N 2.7Å; I268-Q270 PolarHBondContact O-NE2 3.47Å; Q270-G272 PolarHBondContact O-N 3.43Å; Q270-S273 WeakPolarHBondContact O-CB 3.32Å; Q270-S273 PolarHBondContact O-N 2.86Å; Q270-A285 PolarHBondContact OE1-O 3.17Å
271I95.2Very high92.1Very high84 Ų8428 Ų2843%0.43118%0.179SC..THydrogen-bonded Turntrans-60.9122.2178.4-61.5179.6000109.6N176 S269 D313N176-I271 HydrophobicContact CB-CB 4.42Å; N176-I271 PolarHBondContact N-O 3.09Å; N176-I271 VanDerWaalsContact N-O 3.09Å; S269-I271 WeakPolarHBondContact OG-CB 3.03Å; S269-I271 PolarHBondContact OG-N 3.28Å; I271-D313 HydrophobicContact CD1-CB 3.89Å
272G95.4Very high91.6Very high14 Ų1429.9 Ų29.914%0.14419%0.189CC..THydrogen-bonded Turntrans80.76.5-174.600000115.6Q153 Q270Q153-G272 VanDerWaalsContact CB-O 3.22Å; Q153-G272 WeakPolarHBondContact CB-O 3.35Å; Q153-G272 WeakPolarHBondContact CG-O 3.48Å; Q153-G272 PolarHBondContact N-O 3.1Å; Q270-G272 PolarHBondContact O-N 3.43Å
273S94.6Very high91.1Very high20 Ų2030 Ų3014%0.1419%0.19CC..BIsolated β-bridgetrans-88.3123.5162.8-167.20000110.1Q270 P275Q270-S273 WeakPolarHBondContact O-CB 3.32Å; Q270-S273 PolarHBondContact O-N 2.86Å; S273-P275 VanDerWaalsContact O-CD 3.27Å; S273-P275 WeakPolarHBondContact O-CD 3.15Å
274M93.4Very high90.6Very high57 Ų5732.7 Ų32.728%0.28121%0.208SC..  trans-78.7113.2179.4-66.4-60.5-7400110.5S151 Q153 C159 R161S151-M274 WeakPolarHBondContact O-CB 3.37Å; S151-M274 PolarHBondContact O-N 3.32Å; Q153-M274 HydrophobicContact CG-CG 4.24Å; C159-M274 HydrophobicContact CB-CB 4.49Å; C159-M274 HydrophobicContact CB-CG 3.69Å; R161-M274 HydrophobicContact CG-CB 4.1Å
275P88.7Confident90.3Very high45 Ų4533.9 Ų33.929%0.29222%0.218SC..  trans-73.5152.4-174.430.3-35.2000112R161 S273 P278R161-P275 WeakPolarHBondContact CD-O 3.37Å; R161-P275 PolarHBondContact NH1-O 3.12Å; S273-P275 VanDerWaalsContact O-CD 3.27Å; S273-P275 WeakPolarHBondContact O-CD 3.15Å; P275-P278 HydrophobicContact CG-CB 3.88Å
276S89.3Confident90.3Very high6 Ų633.2 Ų33.24%0.04221%0.213CC..SBendtrans-64.7-49.6167.8570000111.5T197 R280 Y393T197-S276 VanDerWaalsContact O-CB 3.27Å; T197-S276 WeakPolarHBondContact O-CB 3.42Å; S276-R280 PolarHBondContact OG-NH2 2.74Å; S276-Y393 WeakPolarHBondContact O-CE1 3.47Å
277I90Very high90.5Very high8 Ų831 Ų314%0.04120%0.2CC..SBendtrans-136111.9175.1-55.6172.2000107.1L199 R280 C386 Y393 V394L199-I277 HydrophobicContact CD1-CD1 3.71Å; L199-I277 HydrophobicContact CD1-CG1 4.01Å; I277-R280 HydrophobicContact CG2-CG 4.41Å; I277-R280 PolarHBondContact O-NE 3.47Å; I277-R280 PolarHBondContact O-NH2 3.22Å; I277-R280 VanDerWaalsContact O-NH2 3.09Å; I277-C386 WeakPolarHBondContact CD1-O 3.43Å; I277-Y393 HydrophobicContact CB-CD1 4.43Å; I277-Y393 HydrophobicContact CG1-CD1 4.18Å; I277-Y393 HydrophobicContact CG2-CD1 4.16Å; I277-Y393 HydrophobicContact CG2-CG 4.44Å; I277-V394 HydrophobicContact CD1-CG2 3.73Å; I277-V394 HydrophobicContact CG1-CG2 3.78Å
278P86.7Confident90.6Very high62 Ų6231 Ų3140%0.40320%0.199SC..SBendtrans-71.8163175.330.3-33.3000111.4P275 Y393P275-P278 HydrophobicContact CG-CB 3.88Å; P278-Y393 WeakPolarHBondContact CD-OH 3.43Å; P278-Y393 HydrophobicContact CG-CE2 3.8Å
279G83.8Confident90.7Very high70 Ų7030.9 Ų30.972%0.72220%0.199SC*.  trans74.733.2172.300000115.4P281G279-P281 WeakPolarHBondContact O-CD 3.43Å
280R78Confident90.9Very high20 Ų2030.8 Ų30.88%0.07520%0.199CC..  trans-101.7103.9175.1-72.9178.9-70.9173-1110.7V245 S276 I277 I385 V388V245-R280 VanDerWaalsContact CG2-NH1 3.32Å; S276-R280 PolarHBondContact OG-NH2 2.74Å; I277-R280 HydrophobicContact CG2-CG 4.41Å; I277-R280 PolarHBondContact O-NE 3.47Å; I277-R280 PolarHBondContact O-NH2 3.22Å; I277-R280 VanDerWaalsContact O-NH2 3.09Å; R280-I385 WeakPolarHBondContact CD-O 3.28Å; R280-V388 HydrophobicContact CG-CG1 4.46Å
281P76.4Confident91.1Very high81 Ų8128.3 Ų28.353%0.52619%0.187SC..SBendtrans-78.2-23.1-17229.1-35.3000114.4G279 Y453G279-P281 WeakPolarHBondContact O-CD 3.43Å; P281-Y453 VanDerWaalsContact CD-OH 3.32Å; P281-Y453 WeakPolarHBondContact CD-OH 3.3Å; P281-Y453 HydrophobicContact CG-CE2 3.67Å; P281-Y453 WeakPolarHBondContact CG-OH 3.25Å
282L86.9Confident91.3Very high40 Ų4027.4 Ų27.421%0.20918%0.178CC..SBendtrans-106.4-10.4-172-63.3-173.5000114.6I385 Y453 V456 R460L282-I385 HydrophobicContact CB-CD1 4.3Å; L282-I385 HydrophobicContact CB-CG2 4.27Å; L282-Y453 HydrophobicContact CD1-CD1 3.43Å; L282-Y453 VanDerWaalsContact CD1-CD1 3.43Å; L282-Y453 HydrophobicContact CD1-CD2 3.99Å; L282-Y453 HydrophobicContact CD1-CE1 3.98Å; L282-Y453 HydrophobicContact CD1-CE2 4.48Å; L282-Y453 HydrophobicContact CD1-CG 3.43Å; L282-Y453 VanDerWaalsContact CD1-CG 3.43Å; L282-Y453 HydrophobicContact CG-CD1 4.32Å; L282-Y453 HydrophobicContact CG-CD2 4.46Å; L282-Y453 HydrophobicContact CG-CE1 4.42Å; L282-Y453 HydrophobicContact CG-CG 4.33Å; L282-V456 HydrophobicContact CD1-CB 4.03Å; L282-V456 HydrophobicContact CD1-CG1 4.06Å; L282-V456 HydrophobicContact CD1-CG2 4.27Å; L282-R460 PolarHBondContact O-NH2 3.34Å
283M89.7Confident91.4Very high2 Ų228.4 Ų28.41%0.0118%0.18CC..SBendtrans-144.196.8176.8-170.5176.46900108.7V245 L382 I385 C386 N504V245-M283 HydrophobicContact CG2-CE 3.99Å; V245-M283 HydrophobicContact CG2-CG 4.28Å; V245-M283 WeakPolarHBondContact O-CE 3.33Å; M283-L382 HydrophobicContact CE-CD2 4.48Å; M283-L382 HydrophobicContact SD-CD2 3.55Å; M283-L382 VanDerWaalsContact SD-CD2 3.55Å; M283-I385 HydrophobicContact CB-CG2 3.6Å; M283-C386 WeakPolarHBondContact CE-SG 3.43Å; M283-N504 HydrophobicContact CG-CB 3.86Å; M283-N504 HydrophobicContact SD-CB 3.79Å
284C87.2Confident91.6Very high57 Ų5727.5 Ų27.539%0.38517%0.174SC..  trans-83.2144.5-178-62.50000110
285A91.4Very high91.9Very high25 Ų2529.4 Ų29.421%0.20718%0.179CC..  trans-69.4150.8162.600000108.7D244 V245 Q270D244-A285 CarbonylContact O-C 3.48Å; D244-A285 WeakPolarHBondContact O-CA 3.28Å; V245-A285 HydrophobicContact CB-CB 3.98Å; V245-A285 HydrophobicContact CG2-CB 4.27Å; Q270-A285 PolarHBondContact OE1-O 3.17Å
286T94.6Very high92.3Very high1 Ų127.3 Ų27.31%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-130.8136.1177-44.40000109.1G243 D244 P263 S265G243-T286 CarbonylContact C-O 3.41Å; G243-T286 WeakPolarHBondContact CA-O 3.33Å; D244-T286 PolarHBondContact N-O 3.1Å; D244-T286 PolarHBondContact O-N 3.19Å; P263-T286 HydrophobicContact CB-CG2 4.13Å; P263-T286 HydrophobicContact CG-CG2 4.39Å; S265-T286 WeakPolarHBondContact CA-OG1 3.46Å; S265-T286 WeakPolarHBondContact CB-OG1 3.28Å
287L97.6Very high92.8Very high2 Ų227 Ų271%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-82.9148168.6-67.6-177.2000108.7V152 V177 G242 P263 I268V152-L287 HydrophobicContact CG1-CD1 4.45Å; V152-L287 HydrophobicContact CG2-CD1 4.48Å; V152-L287 HydrophobicContact CG2-CD2 3.68Å; V177-L287 HydrophobicContact CB-CD1 4.44Å; V177-L287 HydrophobicContact CG1-CD1 3.69Å; G242-L287 WeakPolarHBondContact O-CA 3.35Å; G242-L287 VanDerWaalsContact O-CD2 3.24Å; G242-L287 WeakPolarHBondContact O-CD2 3.41Å; P263-L287 WeakPolarHBondContact CD-O 3.29Å; I268-L287 HydrophobicContact CG2-CB 4.12Å
288G98.4Very high93.2Very high0 Ų026.7 Ų26.70%016%0.161CC..EExtended strand (participates in β ladder)trans-165.2162.8179.200000112.7G242 F261G242-G288 PolarHBondContact N-O 3.1Å; G242-G288 PolarHBondContact O-N 3.16Å; G242-G288 VanDerWaalsContact O-N 3.16Å; F261-G288 WeakPolarHBondContact O-CA 3.47Å
289P98.8Very high93.8Very high0 Ų024.3 Ų24.30%015%0.146CC..EExtended strand (participates in β ladder)trans-78.5151.9-176.731.9-34.6000112.2L239 G240 F261 L297 F300 M301L239-P289 HydrophobicContact CD1-CB 4.09Å; G240-P289 CarbonylContact O-C 3.59Å; G240-P289 WeakPolarHBondContact O-CA 3.42Å; F261-P289 HydrophobicContact CB-CG 4.18Å; F261-P289 PolarHBondContact N-O 3.44Å; P289-L297 HydrophobicContact CB-CD2 3.69Å; P289-L297 HydrophobicContact CG-CB 4.07Å; P289-L297 HydrophobicContact CG-CD2 3.85Å; P289-L297 WeakPolarHBondContact O-CD2 3.35Å; P289-F300 HydrophobicContact CB-CB 3.82Å; P289-F300 HydrophobicContact CB-CD1 3.56Å; P289-F300 HydrophobicContact CB-CD2 4.28Å; P289-F300 HydrophobicContact CB-CE1 4.16Å; P289-F300 HydrophobicContact CB-CG 3.61Å; P289-F300 HydrophobicContact CG-CB 4.13Å; P289-F300 HydrophobicContact CG-CD1 3.48Å; P289-F300 VanDerWaalsContact CG-CD1 3.48Å; P289-F300 HydrophobicContact CG-CE1 4.14Å; P289-F300 HydrophobicContact CG-CG 3.98Å; P289-M301 HydrophobicContact CG-CG 4.39Å; P289-M301 HydrophobicContact CG-SD 4.43Å
290M98.9Very high94.5Very high0 Ų021 Ų210%011%0.111CC..EExtended strand (participates in β ladder)trans-132.4137.2169.1-64.6178.264.900108.3T225 E228 A229 I232 G240 I249 P252 A253 I258 C259T225-M290 HydrophobicContact CG2-CE 4.39Å; T225-M290 HydrophobicContact CG2-SD 3.51Å; T225-M290 VanDerWaalsContact CG2-SD 3.51Å; E228-M290 HydrophobicContact CB-CE 4.37Å; E228-M290 HydrophobicContact CB-SD 4.23Å; A229-M290 HydrophobicContact CB-CE 3.84Å; I232-M290 HydrophobicContact CD1-CB 3.61Å; I232-M290 WeakPolarHBondContact CD1-O 3.43Å; G240-M290 PolarHBondContact N-O 3.43Å; G240-M290 PolarHBondContact O-N 3.29Å; I249-M290 HydrophobicContact CB-SD 4.34Å; I249-M290 HydrophobicContact CG1-SD 4.2Å; I249-M290 HydrophobicContact CG2-CG 3.74Å; I249-M290 HydrophobicContact CG2-SD 4.03Å; P252-M290 HydrophobicContact CB-CE 4.17Å; A253-M290 HydrophobicContact CB-CE 4.38Å; I258-M290 HydrophobicContact CD1-CB 4.34Å; I258-M290 HydrophobicContact CD1-CE 3.89Å; C259-M290 WeakPolarHBondContact O-CA 3.18Å
291A98.8Very high95.5Very high0 Ų020.1 Ų20.10%011%0.108CC..EExtended strand (participates in β ladder)trans-161.6172-17700000110.2L239 I258 C259 D293 L297L239-A291 HydrophobicContact CD1-CB 4.29Å; I258-A291 WeakPolarHBondContact CB-O 3.42Å; C259-A291 WeakPolarHBondContact CA-O 3.35Å; C259-A291 WeakPolarHBondContact CB-O 3.37Å; C259-A291 PolarHBondContact N-O 3.36Å; C259-A291 PolarHBondContact O-N 3.13Å; C259-A291 VanDerWaalsContact O-N 3.11Å; C259-A291 VanDerWaalsContact O-O 3.11Å; A291-D293 VanDerWaalsContact C-N 3.31Å; A291-L297 HydrophobicContact CB-CD2 3.82Å
292R98.2Very high96.5Very high66 Ų6619.5 Ų19.525%0.24910%0.095CC..SBendtrans-71.5-27.9176.1-66.3-167.7-62.5-92.99.4112.9I72 L74 I232 S237I72-R292 PolarHBondContact O-NH2 3.06Å; L74-R292 PolarHBondContact O-NH2 3.26Å; I232-R292 HydrophobicContact CG2-CG 3.77Å; S237-R292 PolarHBondContact O-NH1 3.39Å
293D98.4Very high97.1Very high35 Ų3519.6 Ų19.619%0.18710%0.096CC..SBendtrans-130.6160.5-175.257.767.9000112.8A291 Y295 S296 E577A291-D293 VanDerWaalsContact C-N 3.31Å; D293-Y295 WeakPolarHBondContact OD1-CB 3.34Å; D293-Y295 PolarHBondContact OD1-N 3.2Å; D293-S296 WeakPolarHBondContact OD1-CB 3.3Å; D293-S296 PolarHBondContact OD1-N 3.36Å; D293-S296 PolarHBondContact OD1-OG 3.14Å; D293-S296 PolarHBondContact OD2-OG 3.38Å; D293-E577 WeakPolarHBondContact CA-OE1 3.35Å
294V98.8Very high97.5Very high0 Ų019.5 Ų19.50%010%0.095CC..Hα-helixtrans-71.5-32.2178.6-178.30000111.4S296 L297 V298 V513 M573 T574 E577V294-S296 PolarHBondContact O-N 2.66Å; V294-L297 WeakPolarHBondContact O-CB 3.06Å; V294-L297 PolarHBondContact O-N 3.33Å; V294-V298 HydrophobicContact CG1-CG2 4.1Å; V294-V298 WeakPolarHBondContact O-CG2 3.32Å; V294-V298 PolarHBondContact O-N 3.38Å; V294-V513 HydrophobicContact CG2-CG1 4.4Å; V294-V513 HydrophobicContact CG2-CG2 3.91Å; V294-M573 HydrophobicContact CG1-CB 3.76Å; V294-M573 HydrophobicContact CG2-CB 4.02Å; V294-M573 HydrophobicContact CG2-CE 4.32Å; V294-T574 WeakPolarHBondContact CG1-OG1 3.27Å; V294-E577 WeakPolarHBondContact CB-OE2 3.27Å; V294-E577 HydrophobicContact CG2-CB 3.98Å; V294-E577 HydrophobicContact CG2-CG 4.41Å; V294-E577 PolarHBondContact N-OE1 3.43Å; V294-E577 PolarHBondContact N-OE2 3.29Å
295Y98.7Very high98Very high98 Ų9817 Ų1738%0.3848%0.078SC..Hα-helixtrans-53.4-41.6177.3175.7-89.2000112L76 D293 V298 T299L76-Y295 HydrophobicContact CB-CD1 4.42Å; L76-Y295 HydrophobicContact CB-CE1 4.49Å; D293-Y295 WeakPolarHBondContact OD1-CB 3.34Å; D293-Y295 PolarHBondContact OD1-N 3.2Å; Y295-V298 PolarHBondContact O-N 2.92Å; Y295-T299 WeakPolarHBondContact CE1-OG1 3.11Å; Y295-T299 WeakPolarHBondContact O-CB 3.21Å; Y295-T299 PolarHBondContact O-N 2.97Å; Y295-T299 PolarHBondContact O-OG1 3.45Å
296S98.8Very high98.3Very high0 Ų017.4 Ų17.40%08%0.079CC..Hα-helixtrans-65.9-39178-61.90000112.2L76 D293 V294 T299 F300L76-S296 VanDerWaalsContact CB-OG 3.26Å; L76-S296 WeakPolarHBondContact CB-OG 3.44Å; D293-S296 WeakPolarHBondContact OD1-CB 3.3Å; D293-S296 PolarHBondContact OD1-N 3.36Å; D293-S296 PolarHBondContact OD1-OG 3.14Å; D293-S296 PolarHBondContact OD2-OG 3.38Å; V294-S296 PolarHBondContact O-N 2.66Å; S296-T299 PolarHBondContact O-N 3.4Å; S296-F300 WeakPolarHBondContact O-CB 3.37Å; S296-F300 PolarHBondContact O-N 2.87Å
297L98.9Very high98.4Very high0 Ų021.2 Ų21.20%010%0.099CC..Hα-helixtrans-66-43.6175.3-50.5-175.2000111.5C259 F261 P289 A291 V294 F300 M301 L570 M573C259-L297 HydrophobicContact CB-CD1 3.59Å; C259-L297 HydrophobicContact CB-CG 4.27Å; F261-L297 HydrophobicContact CB-CD1 4.03Å; P289-L297 HydrophobicContact CB-CD2 3.69Å; P289-L297 HydrophobicContact CG-CB 4.07Å; P289-L297 HydrophobicContact CG-CD2 3.85Å; P289-L297 WeakPolarHBondContact O-CD2 3.35Å; A291-L297 HydrophobicContact CB-CD2 3.82Å; V294-L297 WeakPolarHBondContact O-CB 3.06Å; V294-L297 PolarHBondContact O-N 3.33Å; L297-F300 WeakPolarHBondContact O-CB 3.29Å; L297-F300 PolarHBondContact O-N 3.2Å; L297-M301 WeakPolarHBondContact O-CG 3.48Å; L297-M301 PolarHBondContact O-N 2.9Å; L297-L570 HydrophobicContact CB-CD2 4.34Å; L297-M573 HydrophobicContact CD1-CE 3.79Å
298V98.9Very high98.3Very high1 Ų124 Ų241%0.00611%0.112CC..Hα-helixtrans-62.4-46.3176.1175.10000110.3V294 Y295 F300 M301 R302 F321 Y326 L570V294-V298 HydrophobicContact CG1-CG2 4.1Å; V294-V298 WeakPolarHBondContact O-CG2 3.32Å; V294-V298 PolarHBondContact O-N 3.38Å; Y295-V298 PolarHBondContact O-N 2.92Å; V298-F300 VanDerWaalsContact C-N 3.31Å; V298-F300 PolarHBondContact O-N 3.24Å; V298-M301 PolarHBondContact O-N 2.84Å; V298-R302 WeakPolarHBondContact O-CB 3.4Å; V298-R302 PolarHBondContact O-N 3.19Å; V298-F321 HydrophobicContact CG1-CE2 4.5Å; V298-F321 HydrophobicContact CG1-CZ 3.97Å; V298-Y326 HydrophobicContact CG1-CE1 4.23Å; V298-Y326 HydrophobicContact CG1-CE2 3.97Å; V298-Y326 HydrophobicContact CG2-CE2 3.73Å; V298-L570 HydrophobicContact CG2-CB 4.07Å; V298-L570 HydrophobicContact CG2-CD2 4.16Å; V298-L570 HydrophobicContact CG2-CG 4.49Å
299T98.8Very high98.2Very high13 Ų1324 Ų248%0.0811%0.112CC..Hα-helixtrans-60.6-41.6178.6-59.60000111.3L76 F141 Y295 S296 N303L76-T299 HydrophobicContact CD2-CG2 3.98Å; F141-T299 HydrophobicContact CE1-CG2 3.87Å; F141-T299 HydrophobicContact CZ-CG2 4.09Å; Y295-T299 WeakPolarHBondContact CE1-OG1 3.11Å; Y295-T299 WeakPolarHBondContact O-CB 3.21Å; Y295-T299 PolarHBondContact O-N 2.97Å; Y295-T299 PolarHBondContact O-OG1 3.45Å; S296-T299 PolarHBondContact O-N 3.4Å; T299-N303 PolarHBondContact O-N 2.88Å; T299-N303 PolarHBondContact O-ND2 2.82Å
300F98.8Very high98.1Very high1 Ų124.9 Ų24.90%0.00412%0.116CC..Hα-helixtrans-57.9-56171.6178.5-90.1000112.2V177 L181 L239 I241 I268 P289 S296 L297 V298 R302 N303 I304V177-F300 HydrophobicContact CG2-CZ 4.11Å; L181-F300 HydrophobicContact CD1-CE2 3.92Å; L181-F300 HydrophobicContact CD2-CD2 4.21Å; L181-F300 HydrophobicContact CD2-CE2 3.86Å; L181-F300 HydrophobicContact CG-CE2 4.37Å; L239-F300 HydrophobicContact CD1-CB 4.37Å; L239-F300 HydrophobicContact CD2-CD2 4.15Å; I241-F300 HydrophobicContact CD1-CD2 4.03Å; I241-F300 HydrophobicContact CD1-CE2 3.25Å; I241-F300 HydrophobicContact CD1-CZ 3.68Å; I268-F300 HydrophobicContact CD1-CE1 3.73Å; I268-F300 HydrophobicContact CD1-CZ 4.44Å; P289-F300 HydrophobicContact CB-CB 3.82Å; P289-F300 HydrophobicContact CB-CD1 3.56Å; P289-F300 HydrophobicContact CB-CD2 4.28Å; P289-F300 HydrophobicContact CB-CE1 4.16Å; P289-F300 HydrophobicContact CB-CG 3.61Å; P289-F300 HydrophobicContact CG-CB 4.13Å; P289-F300 HydrophobicContact CG-CD1 3.48Å; P289-F300 VanDerWaalsContact CG-CD1 3.48Å; P289-F300 HydrophobicContact CG-CE1 4.14Å; P289-F300 HydrophobicContact CG-CG 3.98Å; S296-F300 WeakPolarHBondContact O-CB 3.37Å; S296-F300 PolarHBondContact O-N 2.87Å; L297-F300 WeakPolarHBondContact O-CB 3.29Å; L297-F300 PolarHBondContact O-N 3.2Å; V298-F300 VanDerWaalsContact C-N 3.31Å; V298-F300 PolarHBondContact O-N 3.24Å; F300-R302 VanDerWaalsContact C-N 3.3Å; F300-R302 PolarHBondContact O-N 2.75Å; F300-N303 PolarHBondContact O-N 3.09Å; F300-I304 HydrophobicContact CD1-CG2 4.23Å; F300-I304 HydrophobicContact CE1-CB 4.37Å; F300-I304 HydrophobicContact CE1-CG2 3.91Å; F300-I304 HydrophobicContact CZ-CB 4.38Å; F300-I304 HydrophobicContact CZ-CD1 4.49Å; F300-I304 HydrophobicContact CZ-CG1 4.25Å; F300-I304 HydrophobicContact CZ-CG2 4.36Å; F300-I304 WeakPolarHBondContact O-CB 3.35Å; F300-I304 WeakPolarHBondContact O-CG2 3.33Å; F300-I304 PolarHBondContact O-N 3.44Å
301M98.7Very high98Very high0 Ų031.5 Ų31.50%015%0.147CC..Hα-helixtrans-62.3-38-176.7-69.1-58.7-57.900112.2F261 P263 I268 P289 L297 V298 N303 L305 F321 L570F261-M301 HydrophobicContact CD1-CG 3.95Å; F261-M301 HydrophobicContact CD1-SD 3.96Å; F261-M301 HydrophobicContact CE1-CE 4.06Å; F261-M301 HydrophobicContact CE1-CG 4.08Å; F261-M301 HydrophobicContact CE1-SD 4.08Å; P263-M301 HydrophobicContact CB-CE 3.92Å; P263-M301 HydrophobicContact CB-SD 4.48Å; P263-M301 HydrophobicContact CG-CE 3.75Å; P263-M301 HydrophobicContact CG-SD 3.66Å; I268-M301 HydrophobicContact CD1-CE 4.25Å; I268-M301 HydrophobicContact CD1-SD 3.85Å; P289-M301 HydrophobicContact CG-CG 4.39Å; P289-M301 HydrophobicContact CG-SD 4.43Å; L297-M301 WeakPolarHBondContact O-CG 3.48Å; L297-M301 PolarHBondContact O-N 2.9Å; V298-M301 PolarHBondContact O-N 2.84Å; M301-N303 PolarHBondContact O-N 2.98Å; M301-L305 HydrophobicContact CE-CD1 3.93Å; M301-L305 HydrophobicContact CE-CG 4.38Å; M301-L305 WeakPolarHBondContact O-CB 3.43Å; M301-L305 WeakPolarHBondContact O-CD1 3.28Å; M301-L305 WeakPolarHBondContact O-CG 3.37Å; M301-L305 PolarHBondContact O-N 3.16Å; M301-F321 HydrophobicContact CB-CD2 4.12Å; M301-F321 HydrophobicContact CB-CE2 4.17Å; M301-L570 HydrophobicContact CB-CD1 4.03Å; M301-L570 HydrophobicContact CG-CD1 3.97Å
302R98.3Very high97.8Very high69 Ų6935 Ų3526%0.2617%0.166SC..Hα-helixtrans-60.9-42.6178.1-179.8179.6-73.9132.1-3.7112.7V298 F300 F321 E323V298-R302 WeakPolarHBondContact O-CB 3.4Å; V298-R302 PolarHBondContact O-N 3.19Å; F300-R302 VanDerWaalsContact C-N 3.3Å; F300-R302 PolarHBondContact O-N 2.75Å; R302-F321 HydrophobicContact CB-CB 4.42Å; R302-F321 HydrophobicContact CB-CD1 4.26Å; R302-F321 HydrophobicContact CB-CD2 4.3Å; R302-F321 HydrophobicContact CB-CG 4.08Å; R302-F321 HydrophobicContact CG-CD1 4.25Å; R302-F321 HydrophobicContact CG-CG 4.38Å; R302-E323 VanDerWaalsContact CD-OE1 3.31Å; R302-E323 WeakPolarHBondContact CD-OE1 3.5Å; R302-E323 IonicContact CZ-OE1 3.02Å; R302-E323 IonicContact CZ-OE2 2.82Å; R302-E323 IonicContact NE-OE1 3.12Å; R302-E323 PolarHBondContact NE-OE1 3.17Å; R302-E323 IonicContact NE-OE2 3.63Å; R302-E323 IonicContact NH2-OE1 3.32Å; R302-E323 IonicContact NH2-OE2 2.72Å; R302-E323 PolarHBondContact NH2-OE2 3.24Å; R302-E323 VanDerWaalsContact NH2-OE2 3.16Å
303N98.4Very high97.7Very high42 Ų4232.6 Ų32.623%0.22516%0.158CC..Hα-helixtrans-90.7-31-172.8-73.8-74.9000113.5P140 F141 L184 T299 F300 M301P140-N303 WeakPolarHBondContact CB-OD1 3.47Å; P140-N303 HydrophobicContact CG-CB 4.29Å; P140-N303 VanDerWaalsContact CG-OD1 3.27Å; P140-N303 WeakPolarHBondContact CG-OD1 3.45Å; F141-N303 HydrophobicContact CD2-CB 4.42Å; F141-N303 HydrophobicContact CE2-CB 3.53Å; F141-N303 HydrophobicContact CZ-CB 3.99Å; L184-N303 HydrophobicContact CD1-CB 4.35Å; T299-N303 PolarHBondContact O-N 2.88Å; T299-N303 PolarHBondContact O-ND2 2.82Å; F300-N303 PolarHBondContact O-N 3.09Å; M301-N303 PolarHBondContact O-N 2.98Å
304I97.9Very high97.4Very high0 Ų036.1 Ų36.10%018%0.183CC..Hα-helixtrans-74.2-28.1-179.4-155.375.1000112.4V177 L180 L181 I268 F300 C306 L309V177-I304 HydrophobicContact CG2-CD1 3.86Å; V177-I304 HydrophobicContact CG2-CG1 4.08Å; L180-I304 HydrophobicContact CB-CD1 4.19Å; L180-I304 HydrophobicContact CD2-CD1 3.52Å; L180-I304 HydrophobicContact CD2-CG1 3.88Å; L180-I304 WeakPolarHBondContact CD2-O 3.32Å; L180-I304 HydrophobicContact CG-CD1 3.75Å; L181-I304 HydrophobicContact CD2-CD1 3.99Å; L181-I304 HydrophobicContact CG-CD1 3.88Å; I268-I304 HydrophobicContact CD1-CG2 4.23Å; F300-I304 HydrophobicContact CD1-CG2 4.23Å; F300-I304 HydrophobicContact CE1-CB 4.37Å; F300-I304 HydrophobicContact CE1-CG2 3.91Å; F300-I304 HydrophobicContact CZ-CB 4.38Å; F300-I304 HydrophobicContact CZ-CD1 4.49Å; F300-I304 HydrophobicContact CZ-CG1 4.25Å; F300-I304 HydrophobicContact CZ-CG2 4.36Å; F300-I304 WeakPolarHBondContact O-CB 3.35Å; F300-I304 WeakPolarHBondContact O-CG2 3.33Å; F300-I304 PolarHBondContact O-N 3.44Å; I304-C306 VanDerWaalsContact C-N 3.28Å; I304-C306 PolarHBondContact O-N 2.54Å; I304-L309 WeakPolarHBondContact O-CB 3.27Å; I304-L309 WeakPolarHBondContact O-CD2 3.4Å
305L97.9Very high97.1Very high4 Ų446 Ų462%0.02122%0.221CC..SBendtrans-83.671.4-179.5-62.4178.4000111.1R267 M301 L309 F310 F321R267-L305 HydrophobicContact CB-CD2 4.28Å; R267-L305 WeakPolarHBondContact O-CD2 2.98Å; M301-L305 HydrophobicContact CE-CD1 3.93Å; M301-L305 HydrophobicContact CE-CG 4.38Å; M301-L305 WeakPolarHBondContact O-CB 3.43Å; M301-L305 WeakPolarHBondContact O-CD1 3.28Å; M301-L305 WeakPolarHBondContact O-CG 3.37Å; M301-L305 PolarHBondContact O-N 3.16Å; L305-L309 HydrophobicContact CD2-CD2 4.2Å; L305-F310 HydrophobicContact CB-CZ 4.41Å; L305-F321 HydrophobicContact CD1-CB 4.44Å
306C97.5Very high97Very high33 Ų3341.6 Ų41.622%0.22321%0.205CC..SBendtrans-128.9170-17865.50000111.9I304 E308 L309 F310I304-C306 VanDerWaalsContact C-N 3.28Å; I304-C306 PolarHBondContact O-N 2.54Å; C306-E308 PolarHBondContact O-N 3.44Å; C306-L309 WeakPolarHBondContact O-CB 3.35Å; C306-L309 PolarHBondContact O-N 3.1Å; C306-F310 VanDerWaalsContact O-CD2 3.31Å; C306-F310 WeakPolarHBondContact O-CD2 3.48Å; C306-F310 WeakPolarHBondContact O-CE2 3.4Å; C306-F310 WeakPolarHBondContact O-CG 3.48Å; C306-F310 PolarHBondContact O-N 3.23Å
307D96.9Very high96.8Very high81 Ų8146 Ų4643%0.43323%0.226SC..Hα-helixtrans-57.3-38.8-173.8-59.5-36.7000112.2L309 F310 E311 K320D307-L309 VanDerWaalsContact C-N 3.28Å; D307-L309 PolarHBondContact O-N 3.35Å; D307-F310 PolarHBondContact O-N 3.1Å; D307-E311 WeakPolarHBondContact O-CG 3.48Å; D307-E311 PolarHBondContact O-N 3.36Å; D307-K320 VanDerWaalsContact CG-CE 3.46Å; D307-K320 WeakPolarHBondContact OD1-CE 3.32Å; D307-K320 IonicContact OD1-NZ 3.02Å; D307-K320 PolarHBondContact OD1-NZ 3.37Å; D307-K320 WeakPolarHBondContact OD2-CE 3.31Å; D307-K320 IonicContact OD2-NZ 2.72Å; D307-K320 PolarHBondContact OD2-NZ 3.3Å
308E96.7Very high96.6Very high60 Ų6050.4 Ų50.428%0.2826%0.255SS..Hα-helixtrans-56.8-38.6176.6-167.782.7-175.700113L180 K183 C306 F310 N312L180-E308 HydrophobicContact CD1-CB 3.96Å; L180-E308 HydrophobicContact CD1-CG 3.89Å; K183-E308 HydrophobicContact CD-CG 4.22Å; K183-E308 IonicContact NZ-OE1 3.82Å; K183-E308 PolarHBondContact NZ-OE1 3.44Å; K183-E308 IonicContact NZ-OE2 3.51Å; K183-E308 PolarHBondContact NZ-OE2 2.99Å; C306-E308 PolarHBondContact O-N 3.44Å; E308-F310 VanDerWaalsContact C-N 3.33Å; E308-N312 WeakPolarHBondContact O-CB 3.36Å; E308-N312 VanDerWaalsContact O-CG 3.28Å; E308-N312 PolarHBondContact O-N 3.31Å; E308-N312 VanDerWaalsContact O-N 3.17Å; E308-N312 PolarHBondContact O-ND2 3.45Å
309L96.3Very high96.5Very high1 Ų153 Ų531%0.00527%0.268CS..Hα-helixtrans-65.2-42.7177-177.365.8000110.5L180 I304 L305 C306 D307 N312 D313 V316L180-L309 HydrophobicContact CD2-CB 3.71Å; L180-L309 HydrophobicContact CD2-CD1 4.06Å; L180-L309 HydrophobicContact CD2-CG 4.38Å; I304-L309 WeakPolarHBondContact O-CB 3.27Å; I304-L309 WeakPolarHBondContact O-CD2 3.4Å; L305-L309 HydrophobicContact CD2-CD2 4.2Å; C306-L309 WeakPolarHBondContact O-CB 3.35Å; C306-L309 PolarHBondContact O-N 3.1Å; D307-L309 VanDerWaalsContact C-N 3.28Å; D307-L309 PolarHBondContact O-N 3.35Å; L309-N312 PolarHBondContact O-N 3.08Å; L309-D313 PolarHBondContact O-N 2.92Å; L309-D313 VanDerWaalsContact O-N 3.11Å; L309-V316 HydrophobicContact CD2-CG1 4.2Å; L309-V316 HydrophobicContact CG-CG1 4.44Å
310F96Very high96.4Very high18 Ų1857.3 Ų57.38%0.07929%0.286CS..Hα-helixtrans-72.2-34.4-175.6-48.3-34.7000111.8L305 C306 D307 E308 D313 V316 M317 P318 K320L305-F310 HydrophobicContact CB-CZ 4.41Å; C306-F310 VanDerWaalsContact O-CD2 3.31Å; C306-F310 WeakPolarHBondContact O-CD2 3.48Å; C306-F310 WeakPolarHBondContact O-CE2 3.4Å; C306-F310 WeakPolarHBondContact O-CG 3.48Å; C306-F310 PolarHBondContact O-N 3.23Å; D307-F310 PolarHBondContact O-N 3.1Å; E308-F310 VanDerWaalsContact C-N 3.33Å; F310-D313 CarbonylContact O-C 3.52Å; F310-D313 VanDerWaalsContact O-C 3.28Å; F310-V316 HydrophobicContact CD1-CB 4.5Å; F310-V316 HydrophobicContact CD1-CG1 3.78Å; F310-V316 HydrophobicContact CE1-CG1 4Å; F310-M317 WeakPolarHBondContact CE1-O 3.35Å; F310-P318 HydrophobicContact CB-CB 4.1Å; F310-P318 HydrophobicContact CD1-CB 4.48Å; F310-P318 HydrophobicContact CD2-CB 3.84Å; F310-P318 HydrophobicContact CE2-CB 4.4Å; F310-P318 HydrophobicContact CG-CB 3.9Å; F310-K320 HydrophobicContact CE2-CG 3.9Å; F310-K320 HydrophobicContact CZ-CG 4.35Å
311E95.9Very high96.4Very high140 Ų14058.1 Ų58.165%0.65429%0.289SS*.Hα-helixtrans-68.4-39.8174.1-72.1173.9-17100111.8D307D307-E311 WeakPolarHBondContact O-CG 3.48Å; D307-E311 PolarHBondContact O-N 3.36Å
312N94.5Very high96.3Very high74 Ų7461.5 Ų61.540%0.39631%0.305SS..Hα-helixtrans-75.9-23.5-179.8-74.1-42000114N176 E308 L309N176-N312 PolarHBondContact ND2-O 3.14Å; N176-N312 VanDerWaalsContact ND2-O 3.08Å; E308-N312 WeakPolarHBondContact O-CB 3.36Å; E308-N312 VanDerWaalsContact O-CG 3.28Å; E308-N312 PolarHBondContact O-N 3.31Å; E308-N312 VanDerWaalsContact O-N 3.17Å; E308-N312 PolarHBondContact O-ND2 3.45Å; L309-N312 PolarHBondContact O-N 3.08Å
313D95.9Very high96.3Very high15 Ų1561.4 Ų61.48%0.0831%0.308CS..  trans-140.993.5172.4-173.1-5.3000110.6S269 I271 L309 F310 Y315 V316S269-D313 WeakPolarHBondContact CB-OD2 3.45Å; S269-D313 PolarHBondContact OG-OD2 2.92Å; I271-D313 HydrophobicContact CD1-CB 3.89Å; L309-D313 PolarHBondContact O-N 2.92Å; L309-D313 VanDerWaalsContact O-N 3.11Å; F310-D313 CarbonylContact O-C 3.52Å; F310-D313 VanDerWaalsContact O-C 3.28Å; D313-Y315 PolarHBondContact O-N 3.46Å; D313-Y315 WeakPolarHBondContact OD1-CB 3.48Å; D313-Y315 PolarHBondContact OD1-N 3.39Å; D313-V316 HydrophobicContact CB-CG2 3.84Å; D313-V316 WeakPolarHBondContact O-CB 3.38Å; D313-V316 PolarHBondContact O-N 2.66Å
314P94.1Very high96.3Very high109 Ų10967.4 Ų67.471%0.70833%0.334SS*.THydrogen-bonded Turntrans-63.8-9.7179.7-24.634.8000115.2
315Y92.4Very high96.3Very high207 Ų20768.3 Ų68.381%0.81234%0.34SS*.THydrogen-bonded Turntrans-87.1-8.4173.2-71.5-83000113D313D313-Y315 PolarHBondContact O-N 3.46Å; D313-Y315 WeakPolarHBondContact OD1-CB 3.48Å; D313-Y315 PolarHBondContact OD1-N 3.39Å
316V95.3Very high96.3Very high6 Ų669.7 Ų69.74%0.03635%0.345CS..SBendtrans-74.3133.7165.9174.80000108.6T266 R267 L309 F310 D313 P318T266-V316 WeakPolarHBondContact O-CA 3.19Å; T266-V316 WeakPolarHBondContact O-CG1 3.41Å; R267-V316 WeakPolarHBondContact O-CG1 3.44Å; L309-V316 HydrophobicContact CD2-CG1 4.2Å; L309-V316 HydrophobicContact CG-CG1 4.44Å; F310-V316 HydrophobicContact CD1-CB 4.5Å; F310-V316 HydrophobicContact CD1-CG1 3.78Å; F310-V316 HydrophobicContact CE1-CG1 4Å; D313-V316 HydrophobicContact CB-CG2 3.84Å; D313-V316 WeakPolarHBondContact O-CB 3.38Å; D313-V316 PolarHBondContact O-N 2.66Å; V316-P318 WeakPolarHBondContact O-CD 3.16Å
317M94Very high96.3Very high91 Ų9172.9 Ų72.945%0.44836%0.36SS..  trans-62.8123.8175.8-71.3-66.9-69.400109.2T266 F310 I319T266-M317 PolarHBondContact O-N 3.49Å; T266-M317 WeakPolarHBondContact OG1-CG 3.28Å; F310-M317 WeakPolarHBondContact CE1-O 3.35Å; M317-I319 HydrophobicContact CB-CD1 4.26Å; M317-I319 HydrophobicContact CB-CG1 4.32Å; M317-I319 HydrophobicContact CE-CD1 3.99Å; M317-I319 PolarHBondContact O-N 2.55Å
318P95.5Very high96.3Very high94 Ų9472.6 Ų72.661%0.6136%0.356SS*.  trans-78.656.5-175.533.6-37.2000111.7F310 V316F310-P318 HydrophobicContact CB-CB 4.1Å; F310-P318 HydrophobicContact CD1-CB 4.48Å; F310-P318 HydrophobicContact CD2-CB 3.84Å; F310-P318 HydrophobicContact CE2-CB 4.4Å; F310-P318 HydrophobicContact CG-CB 3.9Å; V316-P318 WeakPolarHBondContact O-CD 3.16Å
319I95.9Very high96.1Very high54 Ų5474.3 Ų74.328%0.27738%0.381SS..  trans-113.9106.8-177.8-57.9175.3000107.6M317 Q322M317-I319 HydrophobicContact CB-CD1 4.26Å; M317-I319 HydrophobicContact CB-CG1 4.32Å; M317-I319 HydrophobicContact CE-CD1 3.99Å; M317-I319 PolarHBondContact O-N 2.55Å; I319-Q322 HydrophobicContact CG2-CG 4.44Å
320K97.6Very high96.1Very high104 Ų10478.3 Ų78.345%0.45240%0.396SS..  trans-63.5162.3172.8-64.1-172.8178176.80111D307 F310 Q322D307-K320 VanDerWaalsContact CG-CE 3.46Å; D307-K320 WeakPolarHBondContact OD1-CE 3.32Å; D307-K320 IonicContact OD1-NZ 3.02Å; D307-K320 PolarHBondContact OD1-NZ 3.37Å; D307-K320 WeakPolarHBondContact OD2-CE 3.31Å; D307-K320 IonicContact OD2-NZ 2.72Å; D307-K320 PolarHBondContact OD2-NZ 3.3Å; F310-K320 HydrophobicContact CE2-CG 3.9Å; F310-K320 HydrophobicContact CZ-CG 4.35Å; K320-Q322 PolarHBondContact O-N 2.99Å
321F98.4Very high96.2Very high18 Ų1881.5 Ų81.58%0.07942%0.419CS..  trans-56.8124.9174.3-170.4-90000111.3V298 M301 R302 L305 E323 Y326 E567 L570V298-F321 HydrophobicContact CG1-CE2 4.5Å; V298-F321 HydrophobicContact CG1-CZ 3.97Å; M301-F321 HydrophobicContact CB-CD2 4.12Å; M301-F321 HydrophobicContact CB-CE2 4.17Å; R302-F321 HydrophobicContact CB-CB 4.42Å; R302-F321 HydrophobicContact CB-CD1 4.26Å; R302-F321 HydrophobicContact CB-CD2 4.3Å; R302-F321 HydrophobicContact CB-CG 4.08Å; R302-F321 HydrophobicContact CG-CD1 4.25Å; R302-F321 HydrophobicContact CG-CG 4.38Å; L305-F321 HydrophobicContact CD1-CB 4.44Å; F321-E323 HydrophobicContact CD1-CG 4.4Å; F321-E323 PolarHBondContact O-N 3.45Å; F321-Y326 HydrophobicContact CE1-CD1 4.29Å; F321-Y326 AromaticContact CE1-CG 3.94Å; F321-Y326 HydrophobicContact CE1-CG 3.94Å; F321-Y326 HydrophobicContact CZ-CD1 4.39Å; F321-Y326 AromaticContact CZ-CD2 3.95Å; F321-Y326 HydrophobicContact CZ-CD2 3.95Å; F321-Y326 AromaticContact CZ-CG 3.78Å; F321-Y326 HydrophobicContact CZ-CG 3.78Å; F321-E567 WeakPolarHBondContact CA-OE1 3.42Å; F321-E567 HydrophobicContact CD1-CG 4.48Å; F321-E567 HydrophobicContact CD2-CG 4.04Å; F321-E567 HydrophobicContact CE1-CG 4.25Å; F321-E567 HydrophobicContact CE2-CG 3.8Å; F321-E567 HydrophobicContact CG-CG 4.38Å; F321-E567 HydrophobicContact CZ-CG 3.9Å; F321-L570 HydrophobicContact CE2-CD1 3.83Å
322Q97.8Very high96.3Very high71 Ų7174.9 Ų74.933%0.33239%0.388SS..  trans-89.885.8-174.1-67.1174.887.300111.1I319 K320 Q324 V325 Y326 E567I319-Q322 HydrophobicContact CG2-CG 4.44Å; K320-Q322 PolarHBondContact O-N 2.99Å; Q322-Q324 PolarHBondContact O-N 3.47Å; Q322-Q324 VanDerWaalsContact O-N 3.14Å; Q322-V325 HydrophobicContact CB-CB 4.05Å; Q322-V325 HydrophobicContact CB-CG2 3.87Å; Q322-V325 PolarHBondContact O-N 3.38Å; Q322-Y326 PolarHBondContact O-N 3.47Å; Q322-Y326 VanDerWaalsContact O-N 3.11Å; Q322-E567 HydrophobicContact CB-CG 4.1Å; Q322-E567 PolarHBondContact N-OE1 3.44Å
323E98.2Very high96.5Very high68 Ų6872.6 Ų72.632%0.31838%0.376SS..Hα-helixtrans-52.4-38.6179.9-69-60.7163.300113.3R302 F321 V325 Y326 N327R302-E323 VanDerWaalsContact CD-OE1 3.31Å; R302-E323 WeakPolarHBondContact CD-OE1 3.5Å; R302-E323 IonicContact CZ-OE1 3.02Å; R302-E323 IonicContact CZ-OE2 2.82Å; R302-E323 IonicContact NE-OE1 3.12Å; R302-E323 PolarHBondContact NE-OE1 3.17Å; R302-E323 IonicContact NE-OE2 3.63Å; R302-E323 IonicContact NH2-OE1 3.32Å; R302-E323 IonicContact NH2-OE2 2.72Å; R302-E323 PolarHBondContact NH2-OE2 3.24Å; R302-E323 VanDerWaalsContact NH2-OE2 3.16Å; F321-E323 HydrophobicContact CD1-CG 4.4Å; F321-E323 PolarHBondContact O-N 3.45Å; E323-V325 VanDerWaalsContact C-N 3.28Å; E323-V325 PolarHBondContact O-N 3.16Å; E323-Y326 PolarHBondContact O-N 3.39Å; E323-N327 WeakPolarHBondContact O-CB 3.38Å; E323-N327 PolarHBondContact O-N 2.73Å; E323-N327 PolarHBondContact O-ND2 2.88Å; E323-N327 PolarHBondContact OE2-ND2 2.83Å; E323-N327 VanDerWaalsContact OE2-ND2 3.07Å
324Q97.7Very high96.7Very high167 Ų16771.9 Ų71.978%0.7837%0.372SS*.Hα-helixtrans-64.3-34.6-179.4-60.8-61.5-23.800112.2Q322 E328Q322-Q324 PolarHBondContact O-N 3.47Å; Q322-Q324 VanDerWaalsContact O-N 3.14Å; Q324-E328 WeakPolarHBondContact O-CB 3.16Å; Q324-E328 PolarHBondContact O-N 2.9Å
325V97.8Very high96.9Very high20 Ų2066.7 Ų66.712%0.12134%0.339CS..Hα-helixtrans-76.6-41.1178.4178.50000110.6Q322 E323 E567 V568Q322-V325 HydrophobicContact CB-CB 4.05Å; Q322-V325 HydrophobicContact CB-CG2 3.87Å; Q322-V325 PolarHBondContact O-N 3.38Å; E323-V325 VanDerWaalsContact C-N 3.28Å; E323-V325 PolarHBondContact O-N 3.16Å; V325-E567 HydrophobicContact CB-CB 4.05Å; V325-E567 HydrophobicContact CG1-CB 3.84Å; V325-V568 HydrophobicContact CG1-CG2 3.49Å; V325-V568 VanDerWaalsContact CG1-CG2 3.49Å
326Y98.4Very high97.2Very high33 Ų3358.8 Ų58.813%0.12931%0.308CS..Hα-helixtrans-66.9-42.1178.6175.7-101.4000112.4V298 F321 Q322 E323 L570 R571 T574V298-Y326 HydrophobicContact CG1-CE1 4.23Å; V298-Y326 HydrophobicContact CG1-CE2 3.97Å; V298-Y326 HydrophobicContact CG2-CE2 3.73Å; F321-Y326 HydrophobicContact CE1-CD1 4.29Å; F321-Y326 AromaticContact CE1-CG 3.94Å; F321-Y326 HydrophobicContact CE1-CG 3.94Å; F321-Y326 HydrophobicContact CZ-CD1 4.39Å; F321-Y326 AromaticContact CZ-CD2 3.95Å; F321-Y326 HydrophobicContact CZ-CD2 3.95Å; F321-Y326 AromaticContact CZ-CG 3.78Å; F321-Y326 HydrophobicContact CZ-CG 3.78Å; Q322-Y326 PolarHBondContact O-N 3.47Å; Q322-Y326 VanDerWaalsContact O-N 3.11Å; E323-Y326 PolarHBondContact O-N 3.39Å; Y326-L570 HydrophobicContact CD2-CB 4.3Å; Y326-L570 HydrophobicContact CE2-CB 4.3Å; Y326-R571 HydrophobicContact CD2-CB 4.01Å; Y326-R571 HydrophobicContact CE2-CB 4.37Å; Y326-R571 VanDerWaalsContact O-CD 3.29Å; Y326-R571 WeakPolarHBondContact O-CD 3.19Å; Y326-R571 VanDerWaalsContact O-CG 3.31Å; Y326-R571 WeakPolarHBondContact O-CG 3.31Å; Y326-T574 PolarHBondContact OH-OG1 3.36Å
327N98Very high97.4Very high100 Ų10059.1 Ų59.154%0.53531%0.308SS..THydrogen-bonded Turntrans-90.44.1-177.1-61-58.7000113.7E323 A329E323-N327 WeakPolarHBondContact O-CB 3.38Å; E323-N327 PolarHBondContact O-N 2.73Å; E323-N327 PolarHBondContact O-ND2 2.88Å; E323-N327 PolarHBondContact OE2-ND2 2.83Å; E323-N327 VanDerWaalsContact OE2-ND2 3.07Å; N327-A329 PolarHBondContact O-N 3.1Å
328E95.5Very high97.5Very high74 Ų7457.1 Ų57.135%0.34630%0.298SS..  trans-58.3134.8179-162.9177.8-171.300109.9Q324 R330 R571Q324-E328 WeakPolarHBondContact O-CB 3.16Å; Q324-E328 PolarHBondContact O-N 2.9Å; E328-R330 VanDerWaalsContact CD-NE 3.27Å; E328-R330 HydrophobicContact CG-CB 4.47Å; E328-R330 HydrophobicContact CG-CG 3.93Å; E328-R330 WeakPolarHBondContact OE1-CD 3.31Å; E328-R330 IonicContact OE1-NE 2.8Å; E328-R330 PolarHBondContact OE1-NE 3.17Å; E328-R330 IonicContact OE2-CZ 2.95Å; E328-R330 IonicContact OE2-NE 3.71Å; E328-R330 PolarHBondContact OE2-NE 3.46Å; E328-R330 VanDerWaalsContact OE2-NE 3.15Å; E328-R330 IonicContact OE2-NH2 2.72Å; E328-R571 PolarHBondContact O-NE 3.41Å; E328-R571 PolarHBondContact O-NH1 2.82Å; E328-R571 VanDerWaalsContact O-NH1 3.11Å; E328-R571 PolarHBondContact O-NH2 3.33Å
329A93.5Very high97.5Very high97 Ų9753.8 Ų53.880%0.80228%0.277SS*.  trans-93.4-11.6-176.800000113.7N327N327-A329 PolarHBondContact O-N 3.1Å
330R96.4Very high97.5Very high84 Ų8451.5 Ų51.532%0.31727%0.265SS..SBendtrans-60.7145.7-172.274.7174.6174.589.6-3.1112E328 D473 R571E328-R330 VanDerWaalsContact CD-NE 3.27Å; E328-R330 HydrophobicContact CG-CB 4.47Å; E328-R330 HydrophobicContact CG-CG 3.93Å; E328-R330 WeakPolarHBondContact OE1-CD 3.31Å; E328-R330 IonicContact OE1-NE 2.8Å; E328-R330 PolarHBondContact OE1-NE 3.17Å; E328-R330 IonicContact OE2-CZ 2.95Å; E328-R330 IonicContact OE2-NE 3.71Å; E328-R330 PolarHBondContact OE2-NE 3.46Å; E328-R330 VanDerWaalsContact OE2-NE 3.15Å; E328-R330 IonicContact OE2-NH2 2.72Å; R330-D473 IonicContact CZ-OD1 3.75Å; R330-D473 IonicContact CZ-OD2 3.88Å; R330-D473 IonicContact NH1-OD1 3.17Å; R330-D473 PolarHBondContact NH1-OD1 3.45Å; R330-D473 IonicContact NH1-OD2 3.16Å; R330-D473 PolarHBondContact NH1-OD2 2.91Å; R330-D473 IonicContact NH2-OD1 2.75Å; R330-D473 PolarHBondContact NH2-OD1 3.44Å; R330-D473 IonicContact NH2-OD2 2.62Å; R330-R571 PolarHBondContact O-NH1 3.4Å; R330-R571 PolarHBondContact O-NH2 2.85Å
331P97.8Very high97.2Very high86 Ų8652 Ų5256%0.55827%0.273SS*.PPolyproline II helixtrans-53.2142.9166.7-28.837.3000112.4G364P331-G364 WeakPolarHBondContact CB-O 3.42Å
332L98.5Very high97Very high1 Ų151.8 Ų51.81%0.00527%0.272CS..PPolyproline II helixtrans-100.2146.1175.2-59.9173.4000109.8I334 H365 R366 D473 V568 L572L332-I334 HydrophobicContact CB-CD1 4.18Å; L332-I334 HydrophobicContact CB-CG1 3.79Å; L332-H365 WeakPolarHBondContact CB-ND1 3.4Å; L332-H365 PolarHBondContact N-ND1 3.43Å; L332-H365 VanDerWaalsContact N-ND1 3.16Å; L332-R366 PolarHBondContact O-N 3.16Å; L332-D473 WeakPolarHBondContact CA-OD2 3.46Å; L332-D473 HydrophobicContact CB-CB 4.15Å; L332-D473 HydrophobicContact CD2-CB 3.83Å; L332-V568 HydrophobicContact CD2-CG1 4.47Å; L332-L572 HydrophobicContact CD1-CB 4.33Å
333T98.8Very high96.9Very high25 Ų2548.4 Ų48.415%0.15326%0.256CS..EExtended strand (participates in β ladder)trans-87.4113.8160.2-62.10000108.7R366 V368 G471 L472 D473 A474T333-R366 CarbonylContact C-O 3.4Å; T333-R366 WeakPolarHBondContact CA-O 3.44Å; T333-R366 HydrophobicContact CG2-CG 4.49Å; T333-V368 HydrophobicContact CG2-CG1 4.32Å; T333-V368 HydrophobicContact CG2-CG2 4.09Å; T333-G471 VanDerWaalsContact CB-O 3.23Å; T333-G471 WeakPolarHBondContact CB-O 3.15Å; T333-G471 VanDerWaalsContact CG2-O 3.27Å; T333-G471 WeakPolarHBondContact CG2-O 3.23Å; T333-L472 HydrophobicContact CG2-CD2 4.1Å; T333-D473 PolarHBondContact N-OD2 3.1Å; T333-D473 PolarHBondContact O-N 3.24Å; T333-A474 PolarHBondContact O-N 2.94Å
334I98.9Very high96.8Very high0 Ų047.4 Ų47.40%025%0.251CS..EExtended strand (participates in β ladder)trans-112.6119.8-172.6-58.2170.7000108.5L332 L360 H365 R366 L367 V368 A474 I476 L572L332-I334 HydrophobicContact CB-CD1 4.18Å; L332-I334 HydrophobicContact CB-CG1 3.79Å; I334-L360 HydrophobicContact CD1-CD1 4.21Å; I334-L360 HydrophobicContact CD1-CD2 4.4Å; I334-H365 HydrophobicContact CD1-CB 3.79Å; I334-R366 PolarHBondContact N-O 3.4Å; I334-L367 HydrophobicContact CB-CD1 3.71Å; I334-L367 HydrophobicContact CB-CD2 4.33Å; I334-L367 HydrophobicContact CD1-CD2 4.45Å; I334-L367 HydrophobicContact CG2-CD1 3.66Å; I334-L367 CarbonylContact O-C 3.48Å; I334-L367 VanDerWaalsContact O-CA 3.32Å; I334-L367 WeakPolarHBondContact O-CA 3.37Å; I334-V368 PolarHBondContact O-N 3.4Å; I334-A474 CarbonylContact C-O 3.56Å; I334-A474 WeakPolarHBondContact CA-O 3.43Å; I334-I476 HydrophobicContact CG2-CG1 4.1Å; I334-I476 HydrophobicContact CG2-CG2 3.92Å; I334-L572 HydrophobicContact CD1-CD1 3.64Å; I334-L572 HydrophobicContact CD1-CD2 3.82Å; I334-L572 HydrophobicContact CD1-CG 4.43Å; I334-L572 HydrophobicContact CG1-CD2 4.07Å; I334-L572 HydrophobicContact CG2-CD2 4.14Å
335G98.8Very high96.8Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-72.1149.8169.500000110V368 A474 L475 I476G335-V368 CarbonylContact C-O 3.52Å; G335-V368 VanDerWaalsContact CA-O 3.28Å; G335-V368 WeakPolarHBondContact CA-O 3.41Å; G335-A474 PolarHBondContact N-O 3.34Å; G335-L475 VanDerWaalsContact C-CD1 3.45Å; G335-L475 CarbonylContact O-C 3.58Å; G335-L475 WeakPolarHBondContact O-CA 3.42Å; G335-L475 WeakPolarHBondContact O-CD1 3.37Å; G335-I476 PolarHBondContact O-N 3.02Å
336Y98.8Very high96.8Very high42 Ų4238.7 Ų38.717%0.16521%0.209CC..EExtended strand (participates in β ladder)trans-142147.1168.873.3-85.9000112.7I353 K357 L367 V368 P369 F370 I476Y336-I353 HydrophobicContact CD2-CG2 4.45Å; Y336-K357 HydrophobicContact CD1-CD 4.26Å; Y336-K357 HydrophobicContact CD1-CG 4.28Å; Y336-K357 HydrophobicContact CD2-CD 4.23Å; Y336-K357 HydrophobicContact CE1-CD 3.77Å; Y336-K357 HydrophobicContact CE1-CG 4.16Å; Y336-K357 HydrophobicContact CE2-CD 3.75Å; Y336-K357 HydrophobicContact CG-CD 4.48Å; Y336-K357 VanDerWaalsContact CZ-CD 3.5Å; Y336-K357 WeakPolarHBondContact OH-CE 3.29Å; Y336-L367 HydrophobicContact CD1-CB 4.02Å; Y336-L367 HydrophobicContact CD1-CD1 4.04Å; Y336-L367 HydrophobicContact CE1-CB 4.13Å; Y336-V368 VanDerWaalsContact CD1-O 3.25Å; Y336-V368 WeakPolarHBondContact CD1-O 3.43Å; Y336-V368 VanDerWaalsContact CE1-C 3.44Å; Y336-V368 PolarHBondContact N-O 2.92Å; Y336-P369 HydrophobicContact CE1-CG 4.17Å; Y336-F370 PolarHBondContact O-N 3.01Å; Y336-I476 VanDerWaalsContact CA-O 3.31Å; Y336-I476 WeakPolarHBondContact CA-O 3.41Å
337Y98.5Very high96.8Very high12 Ų1237.8 Ų37.85%0.04721%0.208CC..  trans-143.6145.4163.866.9-92.3000111S339 D340 F370 P372 L475 I476 C477 P478 Y499 Y503Y337-S339 WeakPolarHBondContact CD2-O 3.45Å; Y337-D340 HydrophobicContact CE2-CB 4.11Å; Y337-F370 WeakPolarHBondContact CB-O 3.44Å; Y337-P372 HydrophobicContact CD1-CG 3.66Å; Y337-P372 HydrophobicContact CE1-CG 3.48Å; Y337-P372 VanDerWaalsContact CE1-CG 3.48Å; Y337-P372 HydrophobicContact CG-CG 4.29Å; Y337-L475 HydrophobicContact CD1-CD1 3.96Å; Y337-L475 HydrophobicContact CE1-CD1 4.2Å; Y337-L475 HydrophobicContact CE1-CD2 4.07Å; Y337-L475 HydrophobicContact CE1-CG 4.39Å; Y337-I476 PolarHBondContact N-O 2.6Å; Y337-C477 HydrophobicContact CD1-CB 3.84Å; Y337-C477 HydrophobicContact CD2-CB 4.12Å; Y337-C477 HydrophobicContact CE1-CB 3.31Å; Y337-C477 HydrophobicContact CE2-CB 3.66Å; Y337-C477 HydrophobicContact CG-CB 4.2Å; Y337-C477 WeakPolarHBondContact OH-CB 3.23Å; Y337-C477 PolarHBondContact OH-SG 3.48Å; Y337-P478 WeakPolarHBondContact O-CD 3.37Å; Y337-Y499 AromaticContact CE2-CD1 3.99Å; Y337-Y499 HydrophobicContact CE2-CD1 3.99Å; Y337-Y499 AromaticContact CE2-CE1 3.74Å; Y337-Y499 HydrophobicContact CE2-CE1 3.74Å; Y337-Y503 VanDerWaalsContact CE1-OH 3.3Å; Y337-Y503 WeakPolarHBondContact CE1-OH 3.43Å; Y337-Y503 PolarHBondContact OH-OH 3.27Å
338E97.4Very high96.8Very high50 Ų5033.1 Ų33.123%0.23418%0.183CC..SBendtrans-91.3-32.4178.2-71.3-178.9-169.700112.7A345 R350 I353 S354 P478E338-A345 VanDerWaalsContact O-CB 3.25Å; E338-A345 WeakPolarHBondContact O-CB 3.4Å; E338-R350 HydrophobicContact CB-CB 4.18Å; E338-R350 HydrophobicContact CB-CG 4.01Å; E338-R350 HydrophobicContact CG-CB 4.36Å; E338-R350 IonicContact OE2-CZ 3.51Å; E338-R350 IonicContact OE2-NE 3.54Å; E338-R350 PolarHBondContact OE2-NE 3.24Å; E338-R350 IonicContact OE2-NH2 2.67Å; E338-R350 PolarHBondContact OE2-NH2 3.17Å; E338-I353 HydrophobicContact CG-CB 4.22Å; E338-I353 HydrophobicContact CG-CG2 4.22Å; E338-S354 PolarHBondContact OE1-OG 3.15Å; E338-P478 VanDerWaalsContact O-CG 3.23Å; E338-P478 WeakPolarHBondContact O-CG 3.46Å
339S95.3Very high97Very high23 Ų2329.7 Ų29.716%0.16117%0.167CC..  trans-143.2155.6179.8-70.10000110.4Y337 E344 A345 Y499Y337-S339 WeakPolarHBondContact CD2-O 3.45Å; S339-E344 VanDerWaalsContact CB-OE2 3.28Å; S339-E344 WeakPolarHBondContact CB-OE2 3.42Å; S339-E344 PolarHBondContact OG-OE1 2.91Å; S339-E344 PolarHBondContact OG-OE2 3.38Å; S339-A345 PolarHBondContact OG-N 3.35Å; S339-A345 VanDerWaalsContact OG-N 3.15Å; S339-Y499 WeakPolarHBondContact CA-OH 3.27Å
340D94.9Very high97.2Very high6 Ų629.4 Ų29.43%0.03215%0.145CC..  trans-105.911.6-170.275-9.9000114.5Y337 F342 F343 I375 S498 Y499Y337-D340 HydrophobicContact CE2-CB 4.11Å; D340-F342 PolarHBondContact O-N 3.33Å; D340-F342 WeakPolarHBondContact OD1-CA 3.41Å; D340-F342 PolarHBondContact OD1-N 2.82Å; D340-F343 PolarHBondContact OD1-N 2.85Å; D340-I375 HydrophobicContact CB-CG1 4.15Å; D340-I375 HydrophobicContact CB-CG2 4.36Å; D340-I375 WeakPolarHBondContact O-CG1 3.3Å; D340-S498 WeakPolarHBondContact OD2-CB 3.35Å; D340-S498 PolarHBondContact OD2-OG 2.62Å; D340-Y499 HydrophobicContact CB-CE1 4.22Å; D340-Y499 HydrophobicContact CB-CE2 4.09Å; D340-Y499 PolarHBondContact N-OH 2.96Å; D340-Y499 VanDerWaalsContact N-OH 3.13Å; D340-Y499 PolarHBondContact OD1-OH 3.39Å; D340-Y499 WeakPolarHBondContact OD2-CD2 3.23Å; D340-Y499 WeakPolarHBondContact OD2-CE2 3.45Å
341D91.2Very high97.3Very high116 Ų11628.7 Ų28.762%0.6214%0.142SC*.SBendtrans57.53.4-172.5-65.1-26.1000115.6K371D341-K371 WeakPolarHBondContact OD2-CE 3.46Å; D341-K371 IonicContact OD2-NZ 3.58Å; D341-K371 PolarHBondContact OD2-NZ 3.4Å
342F95.5Very high97.3Very high12 Ų1224.6 Ų24.65%0.05312%0.116CC..SBendtrans-111.8-42179.8176.9-96.4000112.3D340 I375 V379 R434 L437 S498D340-F342 PolarHBondContact O-N 3.33Å; D340-F342 WeakPolarHBondContact OD1-CA 3.41Å; D340-F342 PolarHBondContact OD1-N 2.82Å; F342-I375 HydrophobicContact CB-CB 4.15Å; F342-I375 HydrophobicContact CB-CG2 3.5Å; F342-I375 HydrophobicContact CD1-CG2 4.45Å; F342-I375 HydrophobicContact CG-CG2 4.02Å; F342-V379 HydrophobicContact CD1-CG2 4.05Å; F342-V379 HydrophobicContact CE1-CB 4.34Å; F342-V379 HydrophobicContact CE1-CG1 4.08Å; F342-V379 HydrophobicContact CE1-CG2 3.79Å; F342-V379 HydrophobicContact CE2-CB 4.36Å; F342-V379 HydrophobicContact CE2-CG1 4.39Å; F342-V379 HydrophobicContact CE2-CG2 4.41Å; F342-V379 HydrophobicContact CG-CG2 4.43Å; F342-V379 HydrophobicContact CZ-CB 4.03Å; F342-V379 HydrophobicContact CZ-CG1 3.68Å; F342-V379 HydrophobicContact CZ-CG2 3.98Å; F342-R434 HydrophobicContact CE1-CG 4.11Å; F342-R434 HydrophobicContact CE2-CG 3.85Å; F342-R434 HydrophobicContact CZ-CB 4.36Å; F342-R434 HydrophobicContact CZ-CG 3.6Å; F342-R434 PolarHBondContact O-NH1 2.66Å; F342-L437 HydrophobicContact CE2-CD2 3.53Å; F342-L437 HydrophobicContact CZ-CD2 3.86Å; F342-S498 VanDerWaalsContact CD1-CB 3.45Å
343F95.9Very high97.3Very high0 Ų024.6 Ų24.60%012%0.116CC..SBendtrans-137.3104.4171.9-164.2-48.6000108D340 A345 P481 I482 L493 S495 I496 Y499 Y530 I532 I536D340-F343 PolarHBondContact OD1-N 2.85Å; F343-A345 PolarHBondContact O-N 3.43Å; F343-P481 HydrophobicContact CB-CB 4.37Å; F343-P481 HydrophobicContact CB-CG 4.2Å; F343-P481 HydrophobicContact CD1-CB 3.41Å; F343-P481 VanDerWaalsContact CD1-CB 3.41Å; F343-P481 HydrophobicContact CD1-CG 3.53Å; F343-P481 HydrophobicContact CD2-CG 4.14Å; F343-P481 HydrophobicContact CE1-CB 3.88Å; F343-P481 HydrophobicContact CE1-CG 3.88Å; F343-P481 HydrophobicContact CE2-CG 4.44Å; F343-P481 HydrophobicContact CG-CB 4Å; F343-P481 HydrophobicContact CG-CG 3.7Å; F343-P481 HydrophobicContact CZ-CG 4.33Å; F343-I482 HydrophobicContact CE1-CG2 4.02Å; F343-I482 HydrophobicContact CZ-CG2 4.16Å; F343-L493 HydrophobicContact CE2-CD2 4.46Å; F343-S495 VanDerWaalsContact CD2-OG 3.25Å; F343-S495 WeakPolarHBondContact CD2-OG 3.48Å; F343-S495 VanDerWaalsContact CE2-OG 3.28Å; F343-S495 WeakPolarHBondContact CE2-OG 3.4Å; F343-I496 HydrophobicContact CD2-CG2 4.3Å; F343-I496 HydrophobicContact CE2-CG2 3.82Å; F343-I496 HydrophobicContact CZ-CG2 4.25Å; F343-Y499 HydrophobicContact CB-CE2 4.28Å; F343-Y499 VanDerWaalsContact O-CE2 3.29Å; F343-Y499 WeakPolarHBondContact O-CE2 3.48Å; F343-Y499 PolarHBondContact O-OH 2.99Å; F343-Y530 WeakPolarHBondContact CE1-OH 3.44Å; F343-I532 HydrophobicContact CB-CD1 4.43Å; F343-I532 HydrophobicContact CD1-CD1 3.66Å; F343-I532 HydrophobicContact CD2-CD1 4.4Å; F343-I532 HydrophobicContact CE1-CD1 3.94Å; F343-I532 HydrophobicContact CG-CD1 3.9Å; F343-I532 HydrophobicContact CZ-CD1 4.42Å; F343-I536 HydrophobicContact CE1-CG2 4.41Å; F343-I536 HydrophobicContact CE2-CD1 4.13Å; F343-I536 HydrophobicContact CE2-CG2 3.99Å; F343-I536 HydrophobicContact CZ-CG2 3.64Å
344E95.8Very high97.2Very high47 Ų4725 Ų2522%0.2212%0.12CC..PPolyproline II helixtrans-55.6121.8178.2-174.659.3-153.600110.9S339 R350 Y530S339-E344 VanDerWaalsContact CB-OE2 3.28Å; S339-E344 WeakPolarHBondContact CB-OE2 3.42Å; S339-E344 PolarHBondContact OG-OE1 2.91Å; S339-E344 PolarHBondContact OG-OE2 3.38Å; E344-R350 IonicContact OE1-CZ 3.29Å; E344-R350 IonicContact OE1-NE 3.95Å; E344-R350 IonicContact OE1-NH1 2.8Å; E344-R350 PolarHBondContact OE1-NH1 3.05Å; E344-Y530 HydrophobicContact CB-CE2 3.98Å; E344-Y530 HydrophobicContact CG-CD2 4.26Å; E344-Y530 HydrophobicContact CG-CE2 3.76Å; E344-Y530 VanDerWaalsContact O-CE2 3.28Å; E344-Y530 WeakPolarHBondContact O-CE2 3.47Å; E344-Y530 PolarHBondContact O-OH 3.31Å
345A97.5Very high97.2Very high0 Ų028.5 Ų28.50%014%0.135CC..PPolyproline II helixtrans-69.9142.5177.500000110.3E338 S339 F343 C349 R350 P478 P481E338-A345 VanDerWaalsContact O-CB 3.25Å; E338-A345 WeakPolarHBondContact O-CB 3.4Å; S339-A345 PolarHBondContact OG-N 3.35Å; S339-A345 VanDerWaalsContact OG-N 3.15Å; F343-A345 PolarHBondContact O-N 3.43Å; A345-C349 HydrophobicContact CB-CB 4.11Å; A345-R350 HydrophobicContact CB-CG 3.89Å; A345-R350 VanDerWaalsContact O-CD 3.26Å; A345-R350 WeakPolarHBondContact O-CD 3.15Å; A345-P478 HydrophobicContact CB-CB 4.5Å; A345-P478 HydrophobicContact CB-CG 4.02Å; A345-P481 CarbonylContact C-O 3.6Å; A345-P481 WeakPolarHBondContact CA-O 3.5Å; A345-P481 HydrophobicContact CB-CB 4.31Å
346I98Very high97.2Very high4 Ų428.6 Ų28.62%0.02114%0.135CC..PPolyproline II helixtrans-64.7155.1177.564.3171000111A348 C349 R350 P481 I482 V483 V526 Y530 V540 L544I346-A348 VanDerWaalsContact C-N 3.26Å; I346-A348 HydrophobicContact CD1-CB 4.28Å; I346-A348 HydrophobicContact CG1-CB 4.43Å; I346-A348 PolarHBondContact O-N 3.47Å; I346-A348 VanDerWaalsContact O-N 3.12Å; I346-C349 HydrophobicContact CG1-CB 4.17Å; I346-C349 WeakPolarHBondContact O-CB 3.49Å; I346-C349 PolarHBondContact O-N 3.37Å; I346-R350 PolarHBondContact O-N 2.98Å; I346-R350 VanDerWaalsContact O-N 3.12Å; I346-P481 PolarHBondContact N-O 3.3Å; I346-I482 HydrophobicContact CG2-CG2 4.07Å; I346-V483 HydrophobicContact CD1-CG1 4.16Å; I346-V483 HydrophobicContact CD1-CG2 4.08Å; I346-V526 HydrophobicContact CB-CG2 4.31Å; I346-V526 HydrophobicContact CG2-CG2 4.47Å; I346-Y530 HydrophobicContact CG2-CD2 4.49Å; I346-Y530 HydrophobicContact CG2-CE2 4.04Å; I346-V540 HydrophobicContact CG2-CG1 3.94Å; I346-L544 HydrophobicContact CD1-CD1 4.12Å; I346-L544 HydrophobicContact CG2-CD1 4.05Å
347P98.2Very high97.2Very high15 Ų1528.6 Ų28.610%0.09714%0.137CC..Hα-helixtrans-46.7-43.7-179.7-31.937.2000114.6C349 R350 R351 D522 Q525 V526P347-C349 PolarHBondContact O-N 2.88Å; P347-R350 PolarHBondContact O-N 2.99Å; P347-R351 VanDerWaalsContact O-CB 3.31Å; P347-R351 WeakPolarHBondContact O-CB 3.41Å; P347-R351 PolarHBondContact O-N 2.68Å; P347-D522 HydrophobicContact CB-CB 4.4Å; P347-Q525 HydrophobicContact CB-CB 3.87Å; P347-Q525 HydrophobicContact CG-CB 3.54Å; P347-V526 VanDerWaalsContact CD-CG2 3.48Å; P347-V526 HydrophobicContact CG-CG2 4Å
348A98.1Very high97.2Very high1 Ų132.5 Ų32.51%0.00816%0.155CC..Hα-helixtrans-59-45.4178.800000112.8I346 V352 V518 D522 V555I346-A348 VanDerWaalsContact C-N 3.26Å; I346-A348 HydrophobicContact CD1-CB 4.28Å; I346-A348 HydrophobicContact CG1-CB 4.43Å; I346-A348 PolarHBondContact O-N 3.47Å; I346-A348 VanDerWaalsContact O-N 3.12Å; A348-V352 PolarHBondContact O-N 2.75Å; A348-V518 HydrophobicContact CB-CG2 3.97Å; A348-D522 WeakPolarHBondContact CA-OD1 3.45Å; A348-D522 HydrophobicContact CB-CB 3.88Å; A348-D522 PolarHBondContact N-OD1 3.19Å; A348-V555 HydrophobicContact CB-CG2 3.93Å
349C98.3Very high97.2Very high2 Ų231 Ų311%0.01415%0.149CC..Hα-helixtrans-64.5-42.4177.4-69.10000111.3A345 I346 P347 V352 I353 P478 C480A345-C349 HydrophobicContact CB-CB 4.11Å; I346-C349 HydrophobicContact CG1-CB 4.17Å; I346-C349 WeakPolarHBondContact O-CB 3.49Å; I346-C349 PolarHBondContact O-N 3.37Å; P347-C349 PolarHBondContact O-N 2.88Å; C349-V352 PolarHBondContact O-N 3.13Å; C349-I353 WeakPolarHBondContact O-CG1 3.38Å; C349-I353 PolarHBondContact O-N 2.69Å; C349-P478 HydrophobicContact CB-CB 4.2Å; C349-P478 HydrophobicContact CB-CG 4.44Å; C349-C480 PolarHBondContact SG-O 2.9Å
350R98.3Very high97.4Very high91 Ų9130 Ų3034%0.34314%0.141SC..Hα-helixtrans-64.6-46.2178.5-62.5-178.154.5-178.1-9.9111.5E338 E344 A345 I346 P347 V352 I353 S354E338-R350 HydrophobicContact CB-CB 4.18Å; E338-R350 HydrophobicContact CB-CG 4.01Å; E338-R350 HydrophobicContact CG-CB 4.36Å; E338-R350 IonicContact OE2-CZ 3.51Å; E338-R350 IonicContact OE2-NE 3.54Å; E338-R350 PolarHBondContact OE2-NE 3.24Å; E338-R350 IonicContact OE2-NH2 2.67Å; E338-R350 PolarHBondContact OE2-NH2 3.17Å; E344-R350 IonicContact OE1-CZ 3.29Å; E344-R350 IonicContact OE1-NE 3.95Å; E344-R350 IonicContact OE1-NH1 2.8Å; E344-R350 PolarHBondContact OE1-NH1 3.05Å; A345-R350 HydrophobicContact CB-CG 3.89Å; A345-R350 VanDerWaalsContact O-CD 3.26Å; A345-R350 WeakPolarHBondContact O-CD 3.15Å; I346-R350 PolarHBondContact O-N 2.98Å; I346-R350 VanDerWaalsContact O-N 3.12Å; P347-R350 PolarHBondContact O-N 2.99Å; R350-V352 VanDerWaalsContact C-N 3.31Å; R350-V352 PolarHBondContact O-N 3.32Å; R350-I353 WeakPolarHBondContact O-CA 3.37Å; R350-I353 WeakPolarHBondContact O-CB 3.43Å; R350-I353 PolarHBondContact O-N 3.12Å; R350-S354 PolarHBondContact O-N 2.84Å; R350-S354 PolarHBondContact O-OG 2.97Å
351R97.7Very high97.6Very high69 Ų6933.2 Ų33.226%0.2616%0.156SC..Hα-helixtrans-55-43.5177.2177175.357.877.30112.3P347 I353 S354 K355 S516 V517 D522P347-R351 VanDerWaalsContact O-CB 3.31Å; P347-R351 WeakPolarHBondContact O-CB 3.41Å; P347-R351 PolarHBondContact O-N 2.68Å; R351-I353 VanDerWaalsContact C-N 3.27Å; R351-I353 PolarHBondContact O-N 3.49Å; R351-S354 PolarHBondContact O-N 3.16Å; R351-K355 VanDerWaalsContact O-CB 3.27Å; R351-K355 WeakPolarHBondContact O-CB 3.23Å; R351-K355 PolarHBondContact O-N 3.39Å; R351-S516 PolarHBondContact NH1-OG 2.9Å; R351-S516 PolarHBondContact NH2-OG 3.16Å; R351-V517 PolarHBondContact NH2-O 3.13Å; R351-D522 IonicContact CZ-OD1 2.74Å; R351-D522 IonicContact CZ-OD2 2.73Å; R351-D522 IonicContact NE-OD1 2.63Å; R351-D522 PolarHBondContact NE-OD1 3.49Å; R351-D522 IonicContact NE-OD2 3.44Å; R351-D522 PolarHBondContact NE-OD2 3.47Å; R351-D522 IonicContact NH2-OD1 3.01Å; R351-D522 IonicContact NH2-OD2 2.75Å; R351-D522 PolarHBondContact NH2-OD2 3Å
352V98Very high97.9Very high1 Ų132.9 Ų32.91%0.00616%0.162CC..Hα-helixtrans-60.8-37.5176.1164.20000111.5A348 C349 R350 S356 C515 V555 L557 W580A348-V352 PolarHBondContact O-N 2.75Å; C349-V352 PolarHBondContact O-N 3.13Å; R350-V352 VanDerWaalsContact C-N 3.31Å; R350-V352 PolarHBondContact O-N 3.32Å; V352-S356 VanDerWaalsContact O-CB 3.24Å; V352-S356 WeakPolarHBondContact O-CB 3.46Å; V352-S356 PolarHBondContact O-N 2.92Å; V352-S356 PolarHBondContact O-OG 3.38Å; V352-C515 HydrophobicContact CB-CB 4.45Å; V352-C515 HydrophobicContact CG1-CB 3.52Å; V352-C515 HydrophobicContact CG2-CB 4.05Å; V352-V555 HydrophobicContact CB-CG1 4.19Å; V352-V555 HydrophobicContact CG2-CB 3.98Å; V352-V555 HydrophobicContact CG2-CG1 3.59Å; V352-L557 HydrophobicContact CG1-CB 3.84Å; V352-W580 HydrophobicContact CB-CZ2 4.47Å; V352-W580 HydrophobicContact CG1-CZ2 4.18Å; V352-W580 HydrophobicContact CG2-CH2 4.31Å; V352-W580 HydrophobicContact CG2-CZ2 4.44Å
353I98.7Very high98Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-71.1-48.7176.1-54.6-48.5000111.4Y336 E338 C349 R350 R351 K355 S356 K357 I476 C477 P478 L557Y336-I353 HydrophobicContact CD2-CG2 4.45Å; E338-I353 HydrophobicContact CG-CB 4.22Å; E338-I353 HydrophobicContact CG-CG2 4.22Å; C349-I353 WeakPolarHBondContact O-CG1 3.38Å; C349-I353 PolarHBondContact O-N 2.69Å; R350-I353 WeakPolarHBondContact O-CA 3.37Å; R350-I353 WeakPolarHBondContact O-CB 3.43Å; R350-I353 PolarHBondContact O-N 3.12Å; R351-I353 VanDerWaalsContact C-N 3.27Å; R351-I353 PolarHBondContact O-N 3.49Å; I353-K355 VanDerWaalsContact C-N 3.27Å; I353-K355 PolarHBondContact O-N 3.46Å; I353-S356 PolarHBondContact O-N 3.17Å; I353-K357 WeakPolarHBondContact O-CB 3.41Å; I353-K357 PolarHBondContact O-N 3.49Å; I353-I476 HydrophobicContact CG2-CD1 4.49Å; I353-C477 WeakPolarHBondContact CD1-O 3.42Å; I353-P478 HydrophobicContact CG1-CG 4.01Å; I353-L557 HydrophobicContact CD1-CB 4.39Å; I353-L557 HydrophobicContact CD1-CD1 3.83Å; I353-L557 HydrophobicContact CD1-CG 3.83Å
354S98.4Very high98.1Very high33 Ų3337.1 Ų37.123%0.23120%0.204CC..Hα-helixtrans-58.4-43.1178.6-35.90000110.7E338 R350 R351 K357 E358E338-S354 PolarHBondContact OE1-OG 3.15Å; R350-S354 PolarHBondContact O-N 2.84Å; R350-S354 PolarHBondContact O-OG 2.97Å; R351-S354 PolarHBondContact O-N 3.16Å; S354-K357 WeakPolarHBondContact O-CB 3.42Å; S354-K357 PolarHBondContact O-N 3.19Å; S354-E358 PolarHBondContact O-N 3.46Å
355K98Very high98.2Very high75 Ų7535.8 Ų35.833%0.32620%0.198SC..Hα-helixtrans-69.3-41.7179.5-171.659.4-175.7172.20112.6R351 I353 K357 E358 M359 W580R351-K355 VanDerWaalsContact O-CB 3.27Å; R351-K355 WeakPolarHBondContact O-CB 3.23Å; R351-K355 PolarHBondContact O-N 3.39Å; I353-K355 VanDerWaalsContact C-N 3.27Å; I353-K355 PolarHBondContact O-N 3.46Å; K355-K357 VanDerWaalsContact C-N 3.31Å; K355-K357 PolarHBondContact O-N 2.88Å; K355-E358 WeakPolarHBondContact CD-OE2 3.39Å; K355-E358 IonicContact NZ-OE2 3.27Å; K355-E358 PolarHBondContact NZ-OE2 3.34Å; K355-E358 PolarHBondContact O-N 2.91Å; K355-M359 HydrophobicContact CG-CE 4.19Å; K355-M359 HydrophobicContact CG-SD 4.48Å; K355-M359 WeakPolarHBondContact O-CG 3.42Å; K355-M359 PolarHBondContact O-N 3.48Å; K355-M359 VanDerWaalsContact O-N 3.11Å; K355-W580 HydrophobicContact CB-CH2 3.86Å; K355-W580 HydrophobicContact CB-CZ2 3.88Å; K355-W580 HydrophobicContact CG-CH2 3.72Å; K355-W580 HydrophobicContact CG-CZ2 3.94Å; K355-W580 HydrophobicContact CG-CZ3 4.45Å
356S98.5Very high98.3Very high1 Ų142.5 Ų42.51%0.00722%0.223CC..Hα-helixtrans-64.7-37.2176.7-58.80000111.8V352 I353 M359 L360 L557 W580V352-S356 VanDerWaalsContact O-CB 3.24Å; V352-S356 WeakPolarHBondContact O-CB 3.46Å; V352-S356 PolarHBondContact O-N 2.92Å; V352-S356 PolarHBondContact O-OG 3.38Å; I353-S356 PolarHBondContact O-N 3.17Å; S356-M359 PolarHBondContact O-N 2.96Å; S356-L360 VanDerWaalsContact O-CB 3.32Å; S356-L360 WeakPolarHBondContact O-CB 3.34Å; S356-L360 WeakPolarHBondContact O-CD1 3.49Å; S356-L360 VanDerWaalsContact O-CG 3.23Å; S356-L360 WeakPolarHBondContact O-CG 3.4Å; S356-L360 PolarHBondContact O-N 3.48Å; S356-L557 WeakPolarHBondContact OG-CD1 3.38Å; S356-W580 PolarHBondContact OG-NE1 3.07Å
357K98.6Very high98.3Very high43 Ų4343 Ų4319%0.18723%0.226CC..Hα-helixtrans-55.6-53.4172.1174.5-160.2175-76.60110.9Y336 I353 S354 K355 M359 L360 E361 L367Y336-K357 HydrophobicContact CD1-CD 4.26Å; Y336-K357 HydrophobicContact CD1-CG 4.28Å; Y336-K357 HydrophobicContact CD2-CD 4.23Å; Y336-K357 HydrophobicContact CE1-CD 3.77Å; Y336-K357 HydrophobicContact CE1-CG 4.16Å; Y336-K357 HydrophobicContact CE2-CD 3.75Å; Y336-K357 HydrophobicContact CG-CD 4.48Å; Y336-K357 VanDerWaalsContact CZ-CD 3.5Å; Y336-K357 WeakPolarHBondContact OH-CE 3.29Å; I353-K357 WeakPolarHBondContact O-CB 3.41Å; I353-K357 PolarHBondContact O-N 3.49Å; S354-K357 WeakPolarHBondContact O-CB 3.42Å; S354-K357 PolarHBondContact O-N 3.19Å; K355-K357 VanDerWaalsContact C-N 3.31Å; K355-K357 PolarHBondContact O-N 2.88Å; K357-M359 VanDerWaalsContact C-N 3.32Å; K357-M359 PolarHBondContact O-N 2.77Å; K357-L360 PolarHBondContact O-N 3.45Å; K357-E361 WeakPolarHBondContact CE-OE1 3.14Å; K357-E361 IonicContact NZ-OE1 3.75Å; K357-E361 PolarHBondContact NZ-OE1 3.22Å; K357-E361 IonicContact NZ-OE2 2.78Å; K357-E361 PolarHBondContact NZ-OE2 2.92Å; K357-E361 WeakPolarHBondContact O-CB 3.37Å; K357-E361 WeakPolarHBondContact O-CG 3.35Å; K357-E361 PolarHBondContact O-N 3.48Å; K357-L367 HydrophobicContact CB-CG 4.43Å; K357-L367 HydrophobicContact CG-CB 3.97Å; K357-L367 HydrophobicContact CG-CD1 4.29Å; K357-L367 HydrophobicContact CG-CG 3.85Å
358E98.5Very high98.3Very high93 Ų9343.2 Ų43.244%0.43523%0.227SC..Hα-helixtrans-56.7-44.9179.5-69.3170.1-171.300112.3S354 K355 S362S354-E358 PolarHBondContact O-N 3.46Å; K355-E358 WeakPolarHBondContact CD-OE2 3.39Å; K355-E358 IonicContact NZ-OE2 3.27Å; K355-E358 PolarHBondContact NZ-OE2 3.34Å; K355-E358 PolarHBondContact O-N 2.91Å; E358-S362 WeakPolarHBondContact O-CB 3.4Å; E358-S362 PolarHBondContact O-N 3.45Å; E358-S362 PolarHBondContact O-OG 2.56Å
359M98.4Very high98.3Very high20 Ų2048 Ų4810%0.09926%0.258CS..Hα-helixtrans-68.9-40.4-178.4-66.5-172.3-59.400112K355 S356 K357 S362 A363 L579 W580 L583K355-M359 HydrophobicContact CG-CE 4.19Å; K355-M359 HydrophobicContact CG-SD 4.48Å; K355-M359 WeakPolarHBondContact O-CG 3.42Å; K355-M359 PolarHBondContact O-N 3.48Å; K355-M359 VanDerWaalsContact O-N 3.11Å; S356-M359 PolarHBondContact O-N 2.96Å; K357-M359 VanDerWaalsContact C-N 3.32Å; K357-M359 PolarHBondContact O-N 2.77Å; M359-S362 PolarHBondContact O-N 2.77Å; M359-A363 WeakPolarHBondContact O-CB 3.15Å; M359-A363 PolarHBondContact O-N 3.42Å; M359-L579 HydrophobicContact CB-CB 4.34Å; M359-L579 HydrophobicContact CB-CD1 4.13Å; M359-L579 HydrophobicContact CB-CD2 4.49Å; M359-L579 HydrophobicContact CE-CB 4.41Å; M359-L579 HydrophobicContact SD-CB 4.39Å; M359-W580 HydrophobicContact CE-CD2 3.67Å; M359-W580 HydrophobicContact CE-CE3 4.41Å; M359-W580 HydrophobicContact CE-CG 3.85Å; M359-W580 HydrophobicContact CE-CZ2 3.85Å; M359-W580 VanDerWaalsContact CE-NE1 3.27Å; M359-L583 HydrophobicContact CE-CD1 4.45Å; M359-L583 HydrophobicContact SD-CD1 3.88Å; M359-L583 HydrophobicContact SD-CD2 4.15Å; M359-L583 HydrophobicContact SD-CG 4.19Å
360L98.6Very high98.3Very high1 Ų148.4 Ų48.41%0.00526%0.26CS..Hα-helixtrans-69.9-37.2177.5-71.6165.5000112.1I334 S356 K357 S362 A363 G364 H365 L367 I476 L572 V576 L579I334-L360 HydrophobicContact CD1-CD1 4.21Å; I334-L360 HydrophobicContact CD1-CD2 4.4Å; S356-L360 VanDerWaalsContact O-CB 3.32Å; S356-L360 WeakPolarHBondContact O-CB 3.34Å; S356-L360 WeakPolarHBondContact O-CD1 3.49Å; S356-L360 VanDerWaalsContact O-CG 3.23Å; S356-L360 WeakPolarHBondContact O-CG 3.4Å; S356-L360 PolarHBondContact O-N 3.48Å; K357-L360 PolarHBondContact O-N 3.45Å; L360-S362 VanDerWaalsContact C-N 3.33Å; L360-A363 PolarHBondContact O-N 3.08Å; L360-G364 PolarHBondContact O-N 3.05Å; L360-H365 HydrophobicContact CB-CB 4.47Å; L360-H365 WeakPolarHBondContact O-CB 3.27Å; L360-H365 PolarHBondContact O-CD2 2.88Å; L360-H365 PolarHBondContact O-N 3.09Å; L360-L367 HydrophobicContact CB-CD2 3.8Å; L360-I476 HydrophobicContact CD1-CD1 3.93Å; L360-I476 HydrophobicContact CD1-CG2 4.44Å; L360-L572 HydrophobicContact CD1-CD1 4.24Å; L360-L572 HydrophobicContact CD2-CD1 3.7Å; L360-V576 HydrophobicContact CD1-CG2 4.22Å; L360-V576 HydrophobicContact CD2-CG2 4.38Å; L360-L579 HydrophobicContact CD2-CD1 3.65Å; L360-L579 HydrophobicContact CG-CD1 4.06Å
361E98.5Very high98.2Very high74 Ų7451.1 Ų51.135%0.34627%0.274SS..Hα-helixtrans-60.2-45170.1-75173.5150.300110.8K357 A363 G364 L367K357-E361 WeakPolarHBondContact CE-OE1 3.14Å; K357-E361 IonicContact NZ-OE1 3.75Å; K357-E361 PolarHBondContact NZ-OE1 3.22Å; K357-E361 IonicContact NZ-OE2 2.78Å; K357-E361 PolarHBondContact NZ-OE2 2.92Å; K357-E361 WeakPolarHBondContact O-CB 3.37Å; K357-E361 WeakPolarHBondContact O-CG 3.35Å; K357-E361 PolarHBondContact O-N 3.48Å; E361-A363 VanDerWaalsContact C-N 3.26Å; E361-A363 PolarHBondContact O-N 3.33Å; E361-G364 PolarHBondContact O-N 3.41Å; E361-L367 HydrophobicContact CG-CB 3.76Å; E361-L367 HydrophobicContact CG-CD2 3.77Å; E361-L367 HydrophobicContact CG-CG 3.81Å
362S98.1Very high98.2Very high108 Ų10848.3 Ų48.376%0.75526%0.264SS*.Hα-helixtrans-64.7-30.1177.3-56.90000112.8E358 M359 L360 G364E358-S362 WeakPolarHBondContact O-CB 3.4Å; E358-S362 PolarHBondContact O-N 3.45Å; E358-S362 PolarHBondContact O-OG 2.56Å; M359-S362 PolarHBondContact O-N 2.77Å; L360-S362 VanDerWaalsContact C-N 3.33Å; S362-G364 PolarHBondContact O-N 2.88Å
363A97.7Very high98.1Very high57 Ų5749.4 Ų49.447%0.47127%0.271SS..THydrogen-bonded Turntrans-78.21.5172.700000113.7M359 L360 E361 L579M359-A363 WeakPolarHBondContact O-CB 3.15Å; M359-A363 PolarHBondContact O-N 3.42Å; L360-A363 PolarHBondContact O-N 3.08Å; E361-A363 VanDerWaalsContact C-N 3.26Å; E361-A363 PolarHBondContact O-N 3.33Å; A363-L579 HydrophobicContact CB-CD1 4.3Å; A363-L579 HydrophobicContact CB-CD2 4.28Å
364G98.1Very high98Very high45 Ų4554.2 Ų54.246%0.46430%0.297SS..THydrogen-bonded Turntrans94.66.8173.700000115.3P331 L360 E361 S362P331-G364 WeakPolarHBondContact CB-O 3.42Å; L360-G364 PolarHBondContact O-N 3.05Å; E361-G364 PolarHBondContact O-N 3.41Å; S362-G364 PolarHBondContact O-N 2.88Å
365H98.6Very high97.9Very high18 Ų1853.1 Ų53.18%0.08329%0.289CS..  trans-78.8154173.9-62.6-89.1000111.7L332 I334 L360 L367 Q575L332-H365 WeakPolarHBondContact CB-ND1 3.4Å; L332-H365 PolarHBondContact N-ND1 3.43Å; L332-H365 VanDerWaalsContact N-ND1 3.16Å; I334-H365 HydrophobicContact CD1-CB 3.79Å; L360-H365 HydrophobicContact CB-CB 4.47Å; L360-H365 WeakPolarHBondContact O-CB 3.27Å; L360-H365 PolarHBondContact O-CD2 2.88Å; L360-H365 PolarHBondContact O-N 3.09Å; H365-L367 HydrophobicContact CB-CD2 3.92Å; H365-Q575 PolarHBondContact CE1-OE1 2.94Å; H365-Q575 PolarHBondContact NE2-OE1 2.79Å
366R98.6Very high97.8Very high141 Ų14152.7 Ų52.753%0.53229%0.292SS..EExtended strand (participates in β ladder)trans-93.3113.8173.5178.7178178.6-106.7-1.5109.2L332 T333 I334 V368L332-R366 PolarHBondContact O-N 3.16Å; T333-R366 CarbonylContact C-O 3.4Å; T333-R366 WeakPolarHBondContact CA-O 3.44Å; T333-R366 HydrophobicContact CG2-CG 4.49Å; I334-R366 PolarHBondContact N-O 3.4Å; R366-V368 HydrophobicContact CG-CG1 4.25Å
367L98.7Very high97.8Very high16 Ų1654.4 Ų54.48%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-97133.2176.6-80.4-73.1000110.3I334 Y336 K357 L360 E361 H365 I476I334-L367 HydrophobicContact CB-CD1 3.71Å; I334-L367 HydrophobicContact CB-CD2 4.33Å; I334-L367 HydrophobicContact CD1-CD2 4.45Å; I334-L367 HydrophobicContact CG2-CD1 3.66Å; I334-L367 CarbonylContact O-C 3.48Å; I334-L367 VanDerWaalsContact O-CA 3.32Å; I334-L367 WeakPolarHBondContact O-CA 3.37Å; Y336-L367 HydrophobicContact CD1-CB 4.02Å; Y336-L367 HydrophobicContact CD1-CD1 4.04Å; Y336-L367 HydrophobicContact CE1-CB 4.13Å; K357-L367 HydrophobicContact CB-CG 4.43Å; K357-L367 HydrophobicContact CG-CB 3.97Å; K357-L367 HydrophobicContact CG-CD1 4.29Å; K357-L367 HydrophobicContact CG-CG 3.85Å; L360-L367 HydrophobicContact CB-CD2 3.8Å; E361-L367 HydrophobicContact CG-CB 3.76Å; E361-L367 HydrophobicContact CG-CD2 3.77Å; E361-L367 HydrophobicContact CG-CG 3.81Å; H365-L367 HydrophobicContact CB-CD2 3.92Å; L367-I476 HydrophobicContact CD1-CD1 4.04Å
368V98.4Very high97.7Very high18 Ų1852.4 Ų52.411%0.10930%0.298CS..EExtended strand (participates in β ladder)trans-130135.5178-62.30000111T333 I334 G335 Y336 R366 F370 L472T333-V368 HydrophobicContact CG2-CG1 4.32Å; T333-V368 HydrophobicContact CG2-CG2 4.09Å; I334-V368 PolarHBondContact O-N 3.4Å; G335-V368 CarbonylContact C-O 3.52Å; G335-V368 VanDerWaalsContact CA-O 3.28Å; G335-V368 WeakPolarHBondContact CA-O 3.41Å; Y336-V368 VanDerWaalsContact CD1-O 3.25Å; Y336-V368 WeakPolarHBondContact CD1-O 3.43Å; Y336-V368 VanDerWaalsContact CE1-C 3.44Å; Y336-V368 PolarHBondContact N-O 2.92Å; R366-V368 HydrophobicContact CG-CG1 4.25Å; V368-F370 PolarHBondContact O-N 2.81Å; V368-L472 HydrophobicContact CG2-CD2 3.2Å
369P98.3Very high97.6Very high101 Ų10148.1 Ų48.166%0.65628%0.278SS*.EExtended strand (participates in β ladder)trans-57.2128.6170.5-20.429.8000109.8Y336Y336-P369 HydrophobicContact CE1-CG 4.17Å
370F98.2Very high97.5Very high12 Ų1247.6 Ų47.65%0.05328%0.278CS..  trans-121.9127.9176.6179.3-109.6000109.5Y336 Y337 V368 P372 F463 A466 A470 L472 L475Y336-F370 PolarHBondContact O-N 3.01Å; Y337-F370 WeakPolarHBondContact CB-O 3.44Å; V368-F370 PolarHBondContact O-N 2.81Å; F370-P372 HydrophobicContact CD1-CG 4.12Å; F370-P372 HydrophobicContact CE1-CB 4.4Å; F370-P372 HydrophobicContact CE1-CG 4.01Å; F370-P372 WeakPolarHBondContact O-CD 3.41Å; F370-F463 HydrophobicContact CE1-CE2 4.09Å; F370-F463 AromaticContact CE1-CZ 3.88Å; F370-F463 HydrophobicContact CE1-CZ 3.88Å; F370-F463 HydrophobicContact CZ-CE1 4.49Å; F370-F463 HydrophobicContact CZ-CE2 4.31Å; F370-F463 HydrophobicContact CZ-CZ 4.12Å; F370-A466 HydrophobicContact CE2-CB 4.08Å; F370-A466 HydrophobicContact CZ-CB 4.37Å; F370-A470 HydrophobicContact CD2-CB 4.16Å; F370-L472 HydrophobicContact CB-CD1 4.18Å; F370-L472 HydrophobicContact CD1-CD1 4.36Å; F370-L472 HydrophobicContact CD2-CD1 3.56Å; F370-L472 HydrophobicContact CE2-CD1 3.96Å; F370-L472 HydrophobicContact CG-CD1 3.77Å; F370-L475 HydrophobicContact CB-CD1 4.11Å; F370-L475 HydrophobicContact CD1-CD1 3.75Å; F370-L475 HydrophobicContact CD1-CD2 3.9Å; F370-L475 HydrophobicContact CD1-CG 4.49Å; F370-L475 HydrophobicContact CE1-CD2 3.99Å; F370-L475 HydrophobicContact CG-CD1 4.27Å
371K96.4Very high97.4Very high148 Ų14848 Ų4864%0.64328%0.28SS*.  trans-106.9106175.5-176.6169.5-176.4152.50109.4D341D341-K371 WeakPolarHBondContact OD2-CE 3.46Å; D341-K371 IonicContact OD2-NZ 3.58Å; D341-K371 PolarHBondContact OD2-NZ 3.4Å
372P96.4Very high97.3Very high9 Ų944.7 Ų44.76%0.05827%0.265CS..  trans-54.5131.3173.4-27.936.4000111.3Y337 F370 I375 F463 L502Y337-P372 HydrophobicContact CD1-CG 3.66Å; Y337-P372 HydrophobicContact CE1-CG 3.48Å; Y337-P372 VanDerWaalsContact CE1-CG 3.48Å; Y337-P372 HydrophobicContact CG-CG 4.29Å; F370-P372 HydrophobicContact CD1-CG 4.12Å; F370-P372 HydrophobicContact CE1-CB 4.4Å; F370-P372 HydrophobicContact CE1-CG 4.01Å; F370-P372 WeakPolarHBondContact O-CD 3.41Å; P372-I375 HydrophobicContact CB-CD1 3.44Å; P372-I375 VanDerWaalsContact CB-CD1 3.44Å; P372-I375 HydrophobicContact CB-CG1 3.96Å; P372-I375 HydrophobicContact CG-CD1 4.39Å; P372-F463 HydrophobicContact CB-CE2 4.22Å; P372-L502 HydrophobicContact CB-CD2 4.47Å
373P96.2Very high97.1Very high24 Ų2440.6 Ų40.616%0.15623%0.234CC..SBendtrans-66.6137.2-179.925.2-33000111.2I375 Y459 F463P373-I375 PolarHBondContact O-N 3.33Å; P373-Y459 WeakPolarHBondContact O-CE2 3.48Å; P373-Y459 VanDerWaalsContact O-CZ 3.3Å; P373-Y459 PolarHBondContact O-OH 3.37Å; P373-F463 HydrophobicContact CG-CB 4.09Å; P373-F463 HydrophobicContact CG-CD2 3.98Å; P373-F463 HydrophobicContact CG-CG 4.42Å
374D95.9Very high96.9Very high102 Ų10237.9 Ų37.955%0.54521%0.212SC..  trans27.169.6171.1-165.5-7.9000115.6T376 A377 A378 Y459D374-T376 PolarHBondContact O-N 3.21Å; D374-T376 PolarHBondContact OD1-N 3.38Å; D374-A377 HydrophobicContact CB-CB 4.1Å; D374-A377 PolarHBondContact O-N 3.06Å; D374-A377 VanDerWaalsContact O-N 3.12Å; D374-A377 WeakPolarHBondContact OD1-CB 3.28Å; D374-A377 PolarHBondContact OD1-N 3.26Å; D374-A377 VanDerWaalsContact OD2-CB 3.28Å; D374-A377 WeakPolarHBondContact OD2-CB 3.43Å; D374-A378 PolarHBondContact O-N 3.48Å; D374-Y459 WeakPolarHBondContact O-CE2 3.18Å
375I97.5Very high96.7Very high10 Ų1035.7 Ų35.75%0.05119%0.19CC..Hα-helixtrans-60-31177.9-64.4-60.1000112D340 F342 P372 P373 A377 A378 V379 L502D340-I375 HydrophobicContact CB-CG1 4.15Å; D340-I375 HydrophobicContact CB-CG2 4.36Å; D340-I375 WeakPolarHBondContact O-CG1 3.3Å; F342-I375 HydrophobicContact CB-CB 4.15Å; F342-I375 HydrophobicContact CB-CG2 3.5Å; F342-I375 HydrophobicContact CD1-CG2 4.45Å; F342-I375 HydrophobicContact CG-CG2 4.02Å; P372-I375 HydrophobicContact CB-CD1 3.44Å; P372-I375 VanDerWaalsContact CB-CD1 3.44Å; P372-I375 HydrophobicContact CB-CG1 3.96Å; P372-I375 HydrophobicContact CG-CD1 4.39Å; P373-I375 PolarHBondContact O-N 3.33Å; I375-A377 PolarHBondContact O-N 3.42Å; I375-A378 WeakPolarHBondContact O-CB 3.48Å; I375-A378 PolarHBondContact O-N 3.36Å; I375-V379 HydrophobicContact CG2-CG2 4.18Å; I375-V379 WeakPolarHBondContact O-CG2 3.46Å; I375-V379 PolarHBondContact O-N 3.38Å; I375-L502 HydrophobicContact CD1-CD1 4.19Å; I375-L502 HydrophobicContact CD1-CD2 3.54Å; I375-L502 HydrophobicContact CD1-CG 4.47Å
376T96.6Very high96.3Very high65 Ų6536.3 Ų36.340%0.39920%0.196SC..Hα-helixtrans-62.2-44.1176-63.80000111.1D374 G380 L437D374-T376 PolarHBondContact O-N 3.21Å; D374-T376 PolarHBondContact OD1-N 3.38Å; T376-G380 PolarHBondContact O-N 3.33Å; T376-L437 HydrophobicContact CG2-CD2 4.09Å; T376-L437 WeakPolarHBondContact O-CD2 3.45Å
377A96.6Very high96Very high37 Ų3729.7 Ų29.731%0.30617%0.171SC..Hα-helixtrans-63.9-43.7172.500000111.6D374 I375 V379 G380 L381D374-A377 HydrophobicContact CB-CB 4.1Å; D374-A377 PolarHBondContact O-N 3.06Å; D374-A377 VanDerWaalsContact O-N 3.12Å; D374-A377 WeakPolarHBondContact OD1-CB 3.28Å; D374-A377 PolarHBondContact OD1-N 3.26Å; D374-A377 VanDerWaalsContact OD2-CB 3.28Å; D374-A377 WeakPolarHBondContact OD2-CB 3.43Å; I375-A377 PolarHBondContact O-N 3.42Å; A377-V379 VanDerWaalsContact C-N 3.34Å; A377-V379 PolarHBondContact O-N 2.9Å; A377-G380 PolarHBondContact O-N 3.36Å; A377-G380 VanDerWaalsContact O-N 3.15Å; A377-L381 WeakPolarHBondContact O-CG 3.5Å; A377-L381 PolarHBondContact O-N 3.42Å
378A97.4Very high95.6Very high1 Ų130.3 Ų30.31%0.00818%0.175CC..Hα-helixtrans-55.6-47.1178.200000112.2D374 I375 G380 L381 L382 Y459 L502 L505D374-A378 PolarHBondContact O-N 3.48Å; I375-A378 WeakPolarHBondContact O-CB 3.48Å; I375-A378 PolarHBondContact O-N 3.36Å; A378-G380 VanDerWaalsContact C-N 3.35Å; A378-G380 PolarHBondContact O-N 3.11Å; A378-L381 PolarHBondContact O-N 3.3Å; A378-L381 VanDerWaalsContact O-N 3.16Å; A378-L382 WeakPolarHBondContact O-CB 3.31Å; A378-L382 WeakPolarHBondContact O-CG 3.38Å; A378-L382 PolarHBondContact O-N 3.28Å; A378-Y459 HydrophobicContact CB-CD1 4.49Å; A378-Y459 HydrophobicContact CB-CD2 4.42Å; A378-Y459 HydrophobicContact CB-CE1 3.76Å; A378-Y459 HydrophobicContact CB-CE2 3.69Å; A378-Y459 WeakPolarHBondContact CB-OH 3.47Å; A378-L502 HydrophobicContact CB-CD1 3.84Å; A378-L505 HydrophobicContact CB-CD2 4.2Å
379V97.1Very high95.3Very high4 Ų432.3 Ų32.32%0.02419%0.185CC..Hα-helixtrans-63.5-40.3178.2173.20000111.4F342 I375 A377 L381 L382 I383 L437 V497F342-V379 HydrophobicContact CD1-CG2 4.05Å; F342-V379 HydrophobicContact CE1-CB 4.34Å; F342-V379 HydrophobicContact CE1-CG1 4.08Å; F342-V379 HydrophobicContact CE1-CG2 3.79Å; F342-V379 HydrophobicContact CE2-CB 4.36Å; F342-V379 HydrophobicContact CE2-CG1 4.39Å; F342-V379 HydrophobicContact CE2-CG2 4.41Å; F342-V379 HydrophobicContact CG-CG2 4.43Å; F342-V379 HydrophobicContact CZ-CB 4.03Å; F342-V379 HydrophobicContact CZ-CG1 3.68Å; F342-V379 HydrophobicContact CZ-CG2 3.98Å; I375-V379 HydrophobicContact CG2-CG2 4.18Å; I375-V379 WeakPolarHBondContact O-CG2 3.46Å; I375-V379 PolarHBondContact O-N 3.38Å; A377-V379 VanDerWaalsContact C-N 3.34Å; A377-V379 PolarHBondContact O-N 2.9Å; V379-L381 VanDerWaalsContact C-N 3.33Å; V379-L381 PolarHBondContact O-N 3.36Å; V379-L382 WeakPolarHBondContact O-CB 3.24Å; V379-L382 PolarHBondContact O-N 2.86Å; V379-I383 HydrophobicContact CG1-CD1 4Å; V379-I383 WeakPolarHBondContact O-CD1 3.18Å; V379-I383 WeakPolarHBondContact O-CG1 3.26Å; V379-I383 PolarHBondContact O-N 3.24Å; V379-L437 HydrophobicContact CB-CD2 3.86Å; V379-L437 HydrophobicContact CG1-CD2 3.69Å; V379-V497 HydrophobicContact CG1-CG2 4.24Å
380G96.4Very high95Very high9 Ų927.8 Ų27.89%0.09316%0.157CC..Hα-helixtrans-60.2-42.5173.200000112.6T376 A377 A378 A384 S441T376-G380 PolarHBondContact O-N 3.33Å; A377-G380 PolarHBondContact O-N 3.36Å; A377-G380 VanDerWaalsContact O-N 3.15Å; A378-G380 VanDerWaalsContact C-N 3.35Å; A378-G380 PolarHBondContact O-N 3.11Å; G380-A384 PolarHBondContact O-N 3.07Å; G380-A384 VanDerWaalsContact O-N 3.1Å; G380-S441 WeakPolarHBondContact CA-OG 3.33Å; G380-S441 WeakPolarHBondContact O-CB 3.48Å
381L96.4Very high94.8Very high9 Ų927.3 Ų27.35%0.04716%0.155CC..Hα-helixtrans-67.3-39.8176.9-63.6173000112.2A377 A378 V379 A384 I385 M452 K455 V456 Y459 L505A377-L381 WeakPolarHBondContact O-CG 3.5Å; A377-L381 PolarHBondContact O-N 3.42Å; A378-L381 PolarHBondContact O-N 3.3Å; A378-L381 VanDerWaalsContact O-N 3.16Å; V379-L381 VanDerWaalsContact C-N 3.33Å; V379-L381 PolarHBondContact O-N 3.36Å; L381-A384 PolarHBondContact O-N 2.94Å; L381-I385 VanDerWaalsContact O-CG1 3.28Å; L381-I385 WeakPolarHBondContact O-CG1 3.3Å; L381-I385 PolarHBondContact O-N 3.38Å; L381-M452 HydrophobicContact CD2-SD 4Å; L381-K455 HydrophobicContact CD1-CB 4.3Å; L381-K455 HydrophobicContact CD2-CB 3.57Å; L381-K455 HydrophobicContact CD2-CD 4.35Å; L381-V456 HydrophobicContact CB-CG2 4.11Å; L381-V456 HydrophobicContact CD1-CG2 4.3Å; L381-V456 HydrophobicContact CD2-CG2 4.14Å; L381-V456 HydrophobicContact CG-CG2 4.4Å; L381-Y459 HydrophobicContact CD1-CG 4.16Å; L381-L505 HydrophobicContact CB-CD1 4.5Å; L381-L505 HydrophobicContact CB-CD2 4.28Å
382L95.3Very high94.6Very high5 Ų527.2 Ų27.23%0.02615%0.151CC..Hα-helixtrans-56.4-50.4174.3-82.7165000111.8M283 A378 V379 A384 I385 C386 A501 L505M283-L382 HydrophobicContact CE-CD2 4.48Å; M283-L382 HydrophobicContact SD-CD2 3.55Å; M283-L382 VanDerWaalsContact SD-CD2 3.55Å; A378-L382 WeakPolarHBondContact O-CB 3.31Å; A378-L382 WeakPolarHBondContact O-CG 3.38Å; A378-L382 PolarHBondContact O-N 3.28Å; V379-L382 WeakPolarHBondContact O-CB 3.24Å; V379-L382 PolarHBondContact O-N 2.86Å; L382-A384 VanDerWaalsContact C-N 3.31Å; L382-A384 PolarHBondContact O-N 2.94Å; L382-I385 PolarHBondContact O-N 3.19Å; L382-C386 WeakPolarHBondContact O-CB 3.32Å; L382-C386 PolarHBondContact O-N 3.02Å; L382-C386 PolarHBondContact O-SG 2.97Å; L382-C386 VanDerWaalsContact O-SG 3.42Å; L382-A501 HydrophobicContact CD1-CB 3.89Å; L382-A501 HydrophobicContact CD2-CB 3.81Å; L382-A501 WeakPolarHBondContact CD2-O 3.24Å; L382-A501 HydrophobicContact CG-CB 4.47Å; L382-L505 HydrophobicContact CD2-CB 3.7Å; L382-L505 HydrophobicContact CG-CB 4.08Å; L382-L505 HydrophobicContact CG-CD2 4.24Å
383I94.1Very high94.5Very high21 Ų2129.3 Ų29.311%0.10816%0.158CC..Hα-helixtrans-59.5-45.2177.1-66.3154.5000110.2V379 I385 C386 T387 L438 F442V379-I383 HydrophobicContact CG1-CD1 4Å; V379-I383 WeakPolarHBondContact O-CD1 3.18Å; V379-I383 WeakPolarHBondContact O-CG1 3.26Å; V379-I383 PolarHBondContact O-N 3.24Å; I383-I385 PolarHBondContact O-N 3.22Å; I383-C386 PolarHBondContact O-N 3.32Å; I383-T387 WeakPolarHBondContact O-CB 3.35Å; I383-T387 PolarHBondContact O-N 2.67Å; I383-T387 PolarHBondContact O-OG1 3.34Å; I383-L438 HydrophobicContact CD1-CB 4.46Å; I383-L438 HydrophobicContact CD1-CD1 3.95Å; I383-L438 HydrophobicContact CG1-CD1 4.14Å; I383-L438 HydrophobicContact CG2-CD1 4.32Å; I383-F442 HydrophobicContact CG2-CD2 4.16Å; I383-F442 HydrophobicContact CG2-CE2 3.97Å; I383-F442 HydrophobicContact CG2-CZ 4.28Å
384A94.1Very high94.4Very high0 Ų028.2 Ų28.20%015%0.151CC..Hα-helixtrans-61.7-44-17900000112.6G380 L381 L382 T387 V388 S441 M452G380-A384 PolarHBondContact O-N 3.07Å; G380-A384 VanDerWaalsContact O-N 3.1Å; L381-A384 PolarHBondContact O-N 2.94Å; L382-A384 VanDerWaalsContact C-N 3.31Å; L382-A384 PolarHBondContact O-N 2.94Å; A384-T387 CarbonylContact O-C 3.51Å; A384-T387 VanDerWaalsContact O-C 3.25Å; A384-T387 PolarHBondContact O-N 3.43Å; A384-V388 PolarHBondContact O-N 3.15Å; A384-S441 WeakPolarHBondContact CA-O 3.2Å; A384-S441 VanDerWaalsContact CB-O 3.32Å; A384-S441 WeakPolarHBondContact CB-O 3.25Å; A384-M452 HydrophobicContact CB-CB 4.23Å; A384-M452 HydrophobicContact CB-CG 4.04Å
385I92.6Very high94.4Very high0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-74.4-31.7179.5-60.6162.3000111.8R280 L282 M283 L381 L382 I383 T387 V388 V456 L505R280-I385 WeakPolarHBondContact CD-O 3.28Å; L282-I385 HydrophobicContact CB-CD1 4.3Å; L282-I385 HydrophobicContact CB-CG2 4.27Å; M283-I385 HydrophobicContact CB-CG2 3.6Å; L381-I385 VanDerWaalsContact O-CG1 3.28Å; L381-I385 WeakPolarHBondContact O-CG1 3.3Å; L381-I385 PolarHBondContact O-N 3.38Å; L382-I385 PolarHBondContact O-N 3.19Å; I383-I385 PolarHBondContact O-N 3.22Å; I385-T387 PolarHBondContact O-N 2.88Å; I385-V388 VanDerWaalsContact O-CG1 3.28Å; I385-V388 WeakPolarHBondContact O-CG1 3.48Å; I385-V456 HydrophobicContact CD1-CB 4.3Å; I385-V456 HydrophobicContact CD1-CG1 4.08Å; I385-V456 HydrophobicContact CD1-CG2 3.27Å; I385-V456 HydrophobicContact CG1-CG2 3.95Å; I385-L505 HydrophobicContact CD1-CD1 3.26Å
386C90.3Very high94.2Very high31 Ų3129.8 Ų29.821%0.20915%0.154CC..Hα-helixtrans-64.4-27170-81.60000112.1I277 M283 L382 I383I277-C386 WeakPolarHBondContact CD1-O 3.43Å; M283-C386 WeakPolarHBondContact CE-SG 3.43Å; L382-C386 WeakPolarHBondContact O-CB 3.32Å; L382-C386 PolarHBondContact O-N 3.02Å; L382-C386 PolarHBondContact O-SG 2.97Å; L382-C386 VanDerWaalsContact O-SG 3.42Å; I383-C386 PolarHBondContact O-N 3.32Å
387T92.2Very high94.1Very high2 Ų229.1 Ų29.11%0.01215%0.146CC..THydrogen-bonded Turntrans-127.848.6-169.462.90000111.3I383 A384 I385 D389 G390 Y414 F442 P443I383-T387 WeakPolarHBondContact O-CB 3.35Å; I383-T387 PolarHBondContact O-N 2.67Å; I383-T387 PolarHBondContact O-OG1 3.34Å; A384-T387 CarbonylContact O-C 3.51Å; A384-T387 VanDerWaalsContact O-C 3.25Å; A384-T387 PolarHBondContact O-N 3.43Å; I385-T387 PolarHBondContact O-N 2.88Å; T387-D389 PolarHBondContact O-N 3.48Å; T387-G390 WeakPolarHBondContact O-CA 3.46Å; T387-G390 PolarHBondContact O-N 3.46Å; T387-Y414 HydrophobicContact CG2-CE1 4.14Å; T387-Y414 WeakPolarHBondContact CG2-OH 3.32Å; T387-F442 HydrophobicContact CG2-CD1 3.95Å; T387-F442 HydrophobicContact CG2-CE1 3.56Å; T387-F442 HydrophobicContact CG2-CZ 4.39Å; T387-F442 VanDerWaalsContact OG1-CD1 3.24Å; T387-F442 WeakPolarHBondContact OG1-CD1 3.34Å; T387-P443 VanDerWaalsContact O-CD 3.28Å; T387-P443 WeakPolarHBondContact O-CD 3.39Å; T387-P443 WeakPolarHBondContact O-CG 3.32Å
388V91.6Very high94Very high28 Ų2827.3 Ų27.317%0.1713%0.131CC..THydrogen-bonded Turntrans-52.2-26.3-174-62.50000114.6R280 A384 I385 L449 Y453R280-V388 HydrophobicContact CG-CG1 4.46Å; A384-V388 PolarHBondContact O-N 3.15Å; I385-V388 VanDerWaalsContact O-CG1 3.28Å; I385-V388 WeakPolarHBondContact O-CG1 3.48Å; V388-L449 HydrophobicContact CB-CD1 4Å; V388-L449 HydrophobicContact CB-CD2 4.16Å; V388-L449 HydrophobicContact CG1-CD1 4.07Å; V388-Y453 HydrophobicContact CG1-CE1 4.44Å; V388-Y453 WeakPolarHBondContact CG1-OH 3.28Å
389D91.9Very high93.8Very high61 Ų6134.8 Ų34.833%0.32616%0.163SC..THydrogen-bonded Turntrans-107.219.2178.269-4.4000113.4T387 G391 R392 Y393T387-D389 PolarHBondContact O-N 3.48Å; D389-G391 VanDerWaalsContact C-N 3.25Å; D389-G391 PolarHBondContact O-N 3.18Å; D389-G391 WeakPolarHBondContact OD1-CA 3.14Å; D389-G391 PolarHBondContact OD1-N 2.71Å; D389-R392 HydrophobicContact CB-CB 4.31Å; D389-R392 WeakPolarHBondContact O-CB 3.35Å; D389-R392 PolarHBondContact O-N 3.09Å; D389-R392 PolarHBondContact OD1-N 3.25Å; D389-R392 VanDerWaalsContact OD1-N 3.09Å; D389-Y393 WeakPolarHBondContact OD2-CA 3.35Å; D389-Y393 WeakPolarHBondContact OD2-CB 3.45Å; D389-Y393 PolarHBondContact OD2-N 2.96Å
390G92.2Very high93.5Very high6 Ų636.3 Ų36.36%0.06218%0.18CC..THydrogen-bonded Turntrans7310.2-176.700000114.8T387 R421 F442T387-G390 WeakPolarHBondContact O-CA 3.46Å; T387-G390 PolarHBondContact O-N 3.46Å; G390-R421 PolarHBondContact O-NH1 2.85Å; G390-F442 WeakPolarHBondContact O-CD1 3.47Å
391G93Very high93.4Very high1 Ų136.7 Ų36.71%0.0118%0.179CC..THydrogen-bonded Turntrans98.38.5-177.900000114.1D389 R395 Y414D389-G391 VanDerWaalsContact C-N 3.25Å; D389-G391 PolarHBondContact O-N 3.18Å; D389-G391 WeakPolarHBondContact OD1-CA 3.14Å; D389-G391 PolarHBondContact OD1-N 2.71Å; G391-R395 WeakPolarHBondContact O-CB 3.43Å; G391-R395 PolarHBondContact O-N 3.18Å; G391-R395 VanDerWaalsContact O-N 3.07Å; G391-Y414 WeakPolarHBondContact O-CD2 3.31Å
392R93.4Very high93.4Very high147 Ų14738 Ų3856%0.55519%0.186SC*.Hα-helixtrans-61.1-47.1-176.5168.9176.3-51.6-127.910.3111.7D389 V394 R395 D396D389-R392 HydrophobicContact CB-CB 4.31Å; D389-R392 WeakPolarHBondContact O-CB 3.35Å; D389-R392 PolarHBondContact O-N 3.09Å; D389-R392 PolarHBondContact OD1-N 3.25Å; D389-R392 VanDerWaalsContact OD1-N 3.09Å; R392-V394 PolarHBondContact O-N 3.49Å; R392-R395 VanDerWaalsContact CG-NH2 3.34Å; R392-R395 PolarHBondContact O-N 2.72Å; R392-D396 VanDerWaalsContact CG-OD2 3.27Å; R392-D396 WeakPolarHBondContact CG-OD2 3.21Å; R392-D396 WeakPolarHBondContact O-CB 3.27Å; R392-D396 PolarHBondContact O-N 2.97Å
393Y93.9Very high93.3Very high53 Ų5339 Ų3921%0.20819%0.191CC..Hα-helixtrans-53.2-56.4-179.4177.4-90.7000110.9S276 I277 P278 D389 R395 D396 H397S276-Y393 WeakPolarHBondContact O-CE1 3.47Å; I277-Y393 HydrophobicContact CB-CD1 4.43Å; I277-Y393 HydrophobicContact CG1-CD1 4.18Å; I277-Y393 HydrophobicContact CG2-CD1 4.16Å; I277-Y393 HydrophobicContact CG2-CG 4.44Å; P278-Y393 WeakPolarHBondContact CD-OH 3.43Å; P278-Y393 HydrophobicContact CG-CE2 3.8Å; D389-Y393 WeakPolarHBondContact OD2-CA 3.35Å; D389-Y393 WeakPolarHBondContact OD2-CB 3.45Å; D389-Y393 PolarHBondContact OD2-N 2.96Å; Y393-R395 PolarHBondContact O-N 2.95Å; Y393-D396 PolarHBondContact O-N 3.32Å; Y393-H397 AromaticContact CD1-ND1 3.93Å; Y393-H397 AromaticContact CD2-CE1 3.52Å; Y393-H397 AromaticContact CD2-ND1 3.85Å; Y393-H397 AromaticContact CE1-CE1 3.84Å; Y393-H397 AromaticContact CE1-ND1 3.83Å; Y393-H397 AromaticContact CE2-CE1 3.09Å; Y393-H397 WeakPolarHBondContact CE2-CE1 3.21Å; Y393-H397 AromaticContact CE2-ND1 3.77Å; Y393-H397 AromaticContact CE2-NE2 3.71Å; Y393-H397 AromaticContact CG-ND1 3.93Å; Y393-H397 AromaticContact CZ-CE1 3.25Å; Y393-H397 AromaticContact CZ-ND1 3.73Å; Y393-H397 AromaticContact CZ-NE2 3.51Å; Y393-H397 WeakPolarHBondContact O-CB 3.47Å; Y393-H397 PolarHBondContact O-N 3.3Å; Y393-H397 PolarHBondContact O-ND1 2.98Å; Y393-H397 PolarHBondContact OH-NE2 2.98Å
394V94.6Very high93.4Very high1 Ų138.9 Ų38.91%0.00619%0.191CC..Hα-helixtrans-63.8-42.7-178.6175.50000111.1T197 L199 I277 R392 D396 H397 L398 M410 Y414T197-V394 HydrophobicContact CG2-CG1 4.27Å; L199-V394 HydrophobicContact CD1-CG2 3.85Å; I277-V394 HydrophobicContact CD1-CG2 3.73Å; I277-V394 HydrophobicContact CG1-CG2 3.78Å; R392-V394 PolarHBondContact O-N 3.49Å; V394-D396 VanDerWaalsContact C-N 3.34Å; V394-D396 PolarHBondContact O-N 3.33Å; V394-H397 PolarHBondContact O-N 2.76Å; V394-L398 HydrophobicContact CG1-CD1 3.84Å; V394-L398 HydrophobicContact CG1-CG 4.31Å; V394-L398 WeakPolarHBondContact O-CB 3.04Å; V394-L398 VanDerWaalsContact O-CG 3.28Å; V394-L398 WeakPolarHBondContact O-CG 3.49Å; V394-L398 PolarHBondContact O-N 3.04Å; V394-M410 HydrophobicContact CG1-CE 3.64Å; V394-M410 HydrophobicContact CG1-SD 4.15Å; V394-Y414 HydrophobicContact CB-CD2 3.76Å; V394-Y414 HydrophobicContact CB-CE2 3.67Å; V394-Y414 HydrophobicContact CG1-CD2 3.96Å; V394-Y414 HydrophobicContact CG1-CE2 3.85Å; V394-Y414 HydrophobicContact CG2-CE2 4Å
395R94.5Very high93.3Very high72 Ų7242.8 Ų42.827%0.27222%0.218SC..Hα-helixtrans-58.9-45.6177.5-178.5-166.863.3-134.3-0.3111.9G391 R392 Y393 H397 L398 K399 Y414G391-R395 WeakPolarHBondContact O-CB 3.43Å; G391-R395 PolarHBondContact O-N 3.18Å; G391-R395 VanDerWaalsContact O-N 3.07Å; R392-R395 VanDerWaalsContact CG-NH2 3.34Å; R392-R395 PolarHBondContact O-N 2.72Å; Y393-R395 PolarHBondContact O-N 2.95Å; R395-H397 VanDerWaalsContact C-N 3.33Å; R395-L398 PolarHBondContact O-N 3.26Å; R395-K399 PolarHBondContact O-N 2.75Å; R395-K399 VanDerWaalsContact O-N 3.14Å; R395-Y414 PolarHBondContact NH1-O 2.89Å
396D94.8Very high93.2Very high73 Ų7343 Ų4339%0.3922%0.22SC..Hα-helixtrans-69.8-35-178-62.8-8.3000110.6R392 Y393 V394 L398 K399R392-D396 VanDerWaalsContact CG-OD2 3.27Å; R392-D396 WeakPolarHBondContact CG-OD2 3.21Å; R392-D396 WeakPolarHBondContact O-CB 3.27Å; R392-D396 PolarHBondContact O-N 2.97Å; Y393-D396 PolarHBondContact O-N 3.32Å; V394-D396 VanDerWaalsContact C-N 3.34Å; V394-D396 PolarHBondContact O-N 3.33Å; D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 PolarHBondContact O-N 3.02Å; D396-K399 VanDerWaalsContact O-CB 3.3Å; D396-K399 WeakPolarHBondContact O-CB 3.37Å; D396-K399 PolarHBondContact O-N 3.13Å
397H94.1Very high93.3Very high50 Ų5041.6 Ų41.623%0.23121%0.21CC..Hα-helixtrans-69.5-25.6171.4-75.172.7000113.6Y163 R165 Y393 V394 R395 E401Y163-H397 HydrophobicContact CE1-CB 4.01Å; R165-H397 PolarHBondContact NE-O 3.14Å; R165-H397 PolarHBondContact NH1-O 3.14Å; R165-H397 PolarHBondContact NH2-O 3.08Å; Y393-H397 AromaticContact CD1-ND1 3.93Å; Y393-H397 AromaticContact CD2-CE1 3.52Å; Y393-H397 AromaticContact CD2-ND1 3.85Å; Y393-H397 AromaticContact CE1-CE1 3.84Å; Y393-H397 AromaticContact CE1-ND1 3.83Å; Y393-H397 AromaticContact CE2-CE1 3.09Å; Y393-H397 WeakPolarHBondContact CE2-CE1 3.21Å; Y393-H397 AromaticContact CE2-ND1 3.77Å; Y393-H397 AromaticContact CE2-NE2 3.71Å; Y393-H397 AromaticContact CG-ND1 3.93Å; Y393-H397 AromaticContact CZ-CE1 3.25Å; Y393-H397 AromaticContact CZ-ND1 3.73Å; Y393-H397 AromaticContact CZ-NE2 3.51Å; Y393-H397 WeakPolarHBondContact O-CB 3.47Å; Y393-H397 PolarHBondContact O-N 3.3Å; Y393-H397 PolarHBondContact O-ND1 2.98Å; Y393-H397 PolarHBondContact OH-NE2 2.98Å; V394-H397 PolarHBondContact O-N 2.76Å; R395-H397 VanDerWaalsContact C-N 3.33Å; H397-E401 WeakPolarHBondContact O-CG 3.4Å
398L94.9Very high93.3Very high0 Ų046.3 Ų46.30%023%0.232CC..Hα-helixtrans-84.7-8.8172.9-69.3173000112.7Y163 Q196 T197 V394 R395 D396 G400 E401 I403 M410 K411Y163-L398 HydrophobicContact CE1-CD2 3.91Å; Y163-L398 HydrophobicContact CE1-CG 4.49Å; Q196-L398 HydrophobicContact CG-CD2 4.38Å; T197-L398 HydrophobicContact CG2-CD1 4.48Å; T197-L398 HydrophobicContact CG2-CD2 3.89Å; T197-L398 HydrophobicContact CG2-CG 4.41Å; V394-L398 HydrophobicContact CG1-CD1 3.84Å; V394-L398 HydrophobicContact CG1-CG 4.31Å; V394-L398 WeakPolarHBondContact O-CB 3.04Å; V394-L398 VanDerWaalsContact O-CG 3.28Å; V394-L398 WeakPolarHBondContact O-CG 3.49Å; V394-L398 PolarHBondContact O-N 3.04Å; R395-L398 PolarHBondContact O-N 3.26Å; D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 PolarHBondContact O-N 3.02Å; L398-G400 PolarHBondContact O-N 3.04Å; L398-G400 VanDerWaalsContact O-N 3.08Å; L398-E401 PolarHBondContact O-N 3.44Å; L398-I403 HydrophobicContact CB-CD1 3.9Å; L398-I403 HydrophobicContact CD2-CD1 3.8Å; L398-I403 HydrophobicContact CG-CD1 4.36Å; L398-I403 WeakPolarHBondContact O-CD1 3.34Å; L398-M410 HydrophobicContact CD1-CE 4.4Å; L398-K411 HydrophobicContact CD1-CB 3.97Å; L398-K411 HydrophobicContact CD1-CG 4.23Å
399K92Very high93.3Very high157 Ų15748.5 Ų48.568%0.68324%0.242SC*.THydrogen-bonded Turntrans-65.9112.7-177.8-172.1177.8178.2-179.50111.1R165 R395 D396 E401R165-K399 PolarHBondContact NH2-O 3.26Å; R395-K399 PolarHBondContact O-N 2.75Å; R395-K399 VanDerWaalsContact O-N 3.14Å; D396-K399 VanDerWaalsContact O-CB 3.3Å; D396-K399 WeakPolarHBondContact O-CB 3.37Å; D396-K399 PolarHBondContact O-N 3.13Å; K399-E401 VanDerWaalsContact C-N 3.28Å; K399-E401 PolarHBondContact O-N 3.18Å
400G90.6Very high93.4Very high36 Ų3646.1 Ų46.137%0.37123%0.229SC..THydrogen-bonded Turntrans72.516.7-179.100000114.6K31 L35 L398K31-G400 WeakPolarHBondContact CE-O 3.35Å; L35-G400 VanDerWaalsContact CD1-O 3.27Å; L35-G400 WeakPolarHBondContact CD1-O 3.3Å; L398-G400 PolarHBondContact O-N 3.04Å; L398-G400 VanDerWaalsContact O-N 3.08Å
401E94.6Very high93.4Very high17 Ų1749.3 Ų49.38%0.07924%0.241CC..SBendtrans-74.7164.1162.7-82.6-55.1116.400111.8Y163 V164 R165 H397 L398 K399 I403Y163-E401 HydrophobicContact CD1-CG 3.98Å; V164-E401 WeakPolarHBondContact CB-OE2 3.17Å; V164-E401 PolarHBondContact N-OE2 3.41Å; R165-E401 VanDerWaalsContact CB-OE1 3.31Å; R165-E401 WeakPolarHBondContact CB-OE1 3.43Å; R165-E401 WeakPolarHBondContact CG-OE1 3.25Å; R165-E401 IonicContact CZ-OE1 3.16Å; R165-E401 PolarHBondContact N-OE1 3.15Å; R165-E401 IonicContact NE-OE1 3.48Å; R165-E401 PolarHBondContact NE-OE1 3.43Å; R165-E401 IonicContact NH2-OE1 2.86Å; R165-E401 PolarHBondContact NH2-OE1 2.97Å; H397-E401 WeakPolarHBondContact O-CG 3.4Å; L398-E401 PolarHBondContact O-N 3.44Å; K399-E401 VanDerWaalsContact C-N 3.28Å; K399-E401 PolarHBondContact O-N 3.18Å; E401-I403 HydrophobicContact CB-CD1 3.76Å
402I95.8Very high93.4Very high36 Ų3654.5 Ų54.519%0.18527%0.268CS..PPolyproline II helixtrans-76.2125.4153.7-57.2177.9000106.4L35 K36 I39 V164 Q196 P206L35-I402 HydrophobicContact CB-CD1 3.98Å; L35-I402 HydrophobicContact CB-CG1 4.22Å; L35-I402 HydrophobicContact CD1-CG1 4.1Å; K36-I402 HydrophobicContact CG-CD1 4.08Å; I39-I402 HydrophobicContact CD1-CD1 3.71Å; V164-I402 HydrophobicContact CG2-CB 4.43Å; Q196-I402 PolarHBondContact NE2-O 2.72Å; P206-I402 HydrophobicContact CB-CB 3.93Å; P206-I402 HydrophobicContact CB-CG2 3.71Å; P206-I402 HydrophobicContact CG-CB 4.18Å; P206-I402 HydrophobicContact CG-CG2 4.1Å; P206-I402 WeakPolarHBondContact CG-O 3.45Å
403I94.8Very high93.4Very high27 Ų2748.4 Ų48.414%0.13825%0.246CC..PPolyproline II helixtrans-99.1124.7-173.1-51.5-61000108.5L398 E401 V407 H408 K411L398-I403 HydrophobicContact CB-CD1 3.9Å; L398-I403 HydrophobicContact CD2-CD1 3.8Å; L398-I403 HydrophobicContact CG-CD1 4.36Å; L398-I403 WeakPolarHBondContact O-CD1 3.34Å; E401-I403 HydrophobicContact CB-CD1 3.76Å; I403-V407 HydrophobicContact CG2-CG2 3.73Å; I403-H408 PolarHBondContact O-CE1 3.01Å; I403-H408 VanDerWaalsContact O-CE1 3.24Å; I403-K411 HydrophobicContact CD1-CD 4.05Å; I403-K411 HydrophobicContact CG1-CD 4.04Å; I403-K411 HydrophobicContact CG2-CD 4.26Å
404D95.3Very high93.3Very high18 Ų1846.9 Ų46.910%0.09624%0.24CC..PPolyproline II helixtrans-71.3147.1171.2177.653.7000111.1Q196 P206 S406 V407 H408Q196-D404 HydrophobicContact CB-CB 4.29Å; P206-D404 HydrophobicContact CG-CB 4.27Å; D404-S406 PolarHBondContact O-N 2.87Å; D404-S406 VanDerWaalsContact O-N 3.12Å; D404-S406 WeakPolarHBondContact OD2-CB 3.42Å; D404-S406 PolarHBondContact OD2-N 2.94Å; D404-S406 PolarHBondContact OD2-OG 2.72Å; D404-V407 HydrophobicContact CB-CG2 4.42Å; D404-V407 VanDerWaalsContact O-CG2 3.31Å; D404-V407 WeakPolarHBondContact O-CG2 3.45Å; D404-V407 PolarHBondContact O-N 3.42Å; D404-V407 VanDerWaalsContact O-N 3.13Å; D404-H408 PolarHBondContact O-CE1 2.86Å; D404-H408 PolarHBondContact O-ND1 3.43Å
405S92.2Very high93.3Very high83 Ų8349.7 Ų49.758%0.5826%0.26SS*.G310 helixtrans-51.7-35.5178.666.90000112.7V407 H408S405-V407 VanDerWaalsContact C-N 3.26Å; S405-V407 PolarHBondContact O-N 3.48Å; S405-H408 VanDerWaalsContact CA-ND1 3.31Å; S405-H408 WeakPolarHBondContact CA-ND1 3.09Å; S405-H408 PolarHBondContact O-N 2.96Å
406S90.6Very high93.2Very high4 Ų448.6 Ų48.63%0.02826%0.26CS..G310 helixtrans-69.2-21-175.970.90000114.4D404 P491D404-S406 PolarHBondContact O-N 2.87Å; D404-S406 VanDerWaalsContact O-N 3.12Å; D404-S406 WeakPolarHBondContact OD2-CB 3.42Å; D404-S406 PolarHBondContact OD2-N 2.94Å; D404-S406 PolarHBondContact OD2-OG 2.72Å; S406-P491 WeakPolarHBondContact O-CB 3.27Å; S406-P491 VanDerWaalsContact O-CG 3.3Å; S406-P491 WeakPolarHBondContact O-CG 3.4Å
407V93.1Very high93.1Very high1 Ų148 Ų481%0.00626%0.26CS..G310 helixtrans-109.43.2-178.2-61.40000113.7Q196 T197 I403 D404 S405 L409 M410 K411Q196-V407 HydrophobicContact CB-CG2 4.48Å; Q196-V407 HydrophobicContact CG-CG2 4.4Å; Q196-V407 WeakPolarHBondContact O-CG1 3.48Å; T197-V407 HydrophobicContact CG2-CG1 4.26Å; I403-V407 HydrophobicContact CG2-CG2 3.73Å; D404-V407 HydrophobicContact CB-CG2 4.42Å; D404-V407 VanDerWaalsContact O-CG2 3.31Å; D404-V407 WeakPolarHBondContact O-CG2 3.45Å; D404-V407 PolarHBondContact O-N 3.42Å; D404-V407 VanDerWaalsContact O-N 3.13Å; S405-V407 VanDerWaalsContact C-N 3.26Å; S405-V407 PolarHBondContact O-N 3.48Å; V407-L409 PolarHBondContact O-N 2.67Å; V407-M410 HydrophobicContact CB-CE 3.86Å; V407-M410 HydrophobicContact CG1-CE 3.86Å; V407-M410 PolarHBondContact O-N 3.28Å; V407-K411 WeakPolarHBondContact O-CB 3.21Å; V407-K411 PolarHBondContact O-N 3.15Å
408H91.6Very high93Very high101 Ų10152 Ų5247%0.46827%0.274SS..Hα-helixtrans-60.4-45.4179.4-85.473.1000112.6I403 D404 S405 M410 K411 L412I403-H408 PolarHBondContact O-CE1 3.01Å; I403-H408 VanDerWaalsContact O-CE1 3.24Å; D404-H408 PolarHBondContact O-CE1 2.86Å; D404-H408 PolarHBondContact O-ND1 3.43Å; S405-H408 VanDerWaalsContact CA-ND1 3.31Å; S405-H408 WeakPolarHBondContact CA-ND1 3.09Å; S405-H408 PolarHBondContact O-N 2.96Å; H408-M410 VanDerWaalsContact C-N 3.34Å; H408-M410 PolarHBondContact O-N 2.99Å; H408-K411 PolarHBondContact O-N 2.86Å; H408-L412 PolarHBondContact O-N 3.04Å
409L91.3Very high92.9Very high74 Ų7458.8 Ų58.839%0.38730%0.3SS..Hα-helixtrans-64.7-41.4179.4-176.661.2000111.2V407 L412 L413 P491 R492V407-L409 PolarHBondContact O-N 2.67Å; L409-L412 PolarHBondContact O-N 2.82Å; L409-L413 WeakPolarHBondContact O-CB 3.39Å; L409-L413 PolarHBondContact O-N 3.39Å; L409-P491 WeakPolarHBondContact CD2-O 3.3Å; L409-R492 HydrophobicContact CD2-CG 4.42Å
410M93.2Very high93Very high11 Ų1152.3 Ų52.35%0.05427%0.274CS..Hα-helixtrans-60.7-46.9175.2-177.7179.860.200111.2T197 L199 V394 L398 V407 H408 L412 L413 Y414T197-M410 HydrophobicContact CG2-CE 3.78Å; T197-M410 WeakPolarHBondContact OG1-CE 3.45Å; L199-M410 HydrophobicContact CB-CE 4.46Å; L199-M410 HydrophobicContact CB-SD 4.02Å; L199-M410 HydrophobicContact CD1-SD 4.12Å; V394-M410 HydrophobicContact CG1-CE 3.64Å; V394-M410 HydrophobicContact CG1-SD 4.15Å; L398-M410 HydrophobicContact CD1-CE 4.4Å; V407-M410 HydrophobicContact CB-CE 3.86Å; V407-M410 HydrophobicContact CG1-CE 3.86Å; V407-M410 PolarHBondContact O-N 3.28Å; H408-M410 VanDerWaalsContact C-N 3.34Å; H408-M410 PolarHBondContact O-N 2.99Å; M410-L412 VanDerWaalsContact C-N 3.34Å; M410-L412 PolarHBondContact O-N 2.99Å; M410-L413 PolarHBondContact O-N 3.13Å; M410-Y414 HydrophobicContact CG-CD1 4.17Å; M410-Y414 HydrophobicContact CG-CD2 3.98Å; M410-Y414 HydrophobicContact CG-CE1 3.72Å; M410-Y414 HydrophobicContact CG-CE2 3.56Å; M410-Y414 HydrophobicContact CG-CG 4.29Å; M410-Y414 VanDerWaalsContact CG-CZ 3.43Å; M410-Y414 WeakPolarHBondContact O-CB 3.43Å; M410-Y414 WeakPolarHBondContact O-CD1 3.31Å; M410-Y414 VanDerWaalsContact O-CG 3.31Å; M410-Y414 PolarHBondContact O-N 3.39Å; M410-Y414 HydrophobicContact SD-CE2 3.76Å
411K93.6Very high93.3Very high74 Ų7451.3 Ų51.332%0.32226%0.259SS..Hα-helixtrans-58.2-46176.9-176.9-176.4173.4-174.40111.7L398 I403 V407 H408 Y414 S415L398-K411 HydrophobicContact CD1-CB 3.97Å; L398-K411 HydrophobicContact CD1-CG 4.23Å; I403-K411 HydrophobicContact CD1-CD 4.05Å; I403-K411 HydrophobicContact CG1-CD 4.04Å; I403-K411 HydrophobicContact CG2-CD 4.26Å; V407-K411 WeakPolarHBondContact O-CB 3.21Å; V407-K411 PolarHBondContact O-N 3.15Å; H408-K411 PolarHBondContact O-N 2.86Å; K411-Y414 PolarHBondContact O-N 2.8Å; K411-S415 WeakPolarHBondContact O-CB 3.4Å; K411-S415 PolarHBondContact O-N 3.47Å; K411-S415 VanDerWaalsContact O-N 3.11Å; K411-S415 PolarHBondContact O-OG 3.14Å
412L92.7Very high93.3Very high110 Ų11054.9 Ų54.958%0.57627%0.271SS*.Hα-helixtrans-59.5-51.6177.4178.664.2000110.3H408 L409 M410 Y414 S415 L416H408-L412 PolarHBondContact O-N 3.04Å; L409-L412 PolarHBondContact O-N 2.82Å; M410-L412 VanDerWaalsContact C-N 3.34Å; M410-L412 PolarHBondContact O-N 2.99Å; L412-Y414 VanDerWaalsContact C-N 3.33Å; L412-Y414 PolarHBondContact O-N 2.71Å; L412-S415 PolarHBondContact O-N 3.19Å; L412-S415 VanDerWaalsContact O-N 3.12Å; L412-L416 PolarHBondContact O-N 3.12Å
413L92.7Very high93.3Very high18 Ų1858.7 Ų58.79%0.09429%0.29CS..Hα-helixtrans-57.4-43.2-179.8179.960.5000112.6L409 M410 S415 L416 L438 L439 F442L409-L413 WeakPolarHBondContact O-CB 3.39Å; L409-L413 PolarHBondContact O-N 3.39Å; M410-L413 PolarHBondContact O-N 3.13Å; L413-S415 VanDerWaalsContact C-N 3.27Å; L413-S415 PolarHBondContact O-N 2.99Å; L413-L416 PolarHBondContact O-N 3.12Å; L413-L438 HydrophobicContact CD2-CD1 3.96Å; L413-L438 HydrophobicContact CD2-CD2 3.85Å; L413-L438 HydrophobicContact CD2-CG 3.8Å; L413-L439 HydrophobicContact CD1-CD2 3.44Å; L413-L439 VanDerWaalsContact CD1-CD2 3.44Å; L413-L439 HydrophobicContact CD1-CG 4.38Å; L413-F442 HydrophobicContact CD1-CE2 4.15Å; L413-F442 HydrophobicContact CD1-CZ 4.41Å; L413-F442 HydrophobicContact CD2-CE2 3.79Å; L413-F442 HydrophobicContact CD2-CZ 3.54Å; L413-F442 HydrophobicContact CG-CE2 3.96Å; L413-F442 HydrophobicContact CG-CZ 3.73Å
414Y93.3Very high93.4Very high21 Ų2161 Ų618%0.08230%0.302CS..Hα-helixtrans-77.4-15.4-178.2-67.49000113.1T387 G391 V394 R395 M410 K411 L412 F442T387-Y414 HydrophobicContact CG2-CE1 4.14Å; T387-Y414 WeakPolarHBondContact CG2-OH 3.32Å; G391-Y414 WeakPolarHBondContact O-CD2 3.31Å; V394-Y414 HydrophobicContact CB-CD2 3.76Å; V394-Y414 HydrophobicContact CB-CE2 3.67Å; V394-Y414 HydrophobicContact CG1-CD2 3.96Å; V394-Y414 HydrophobicContact CG1-CE2 3.85Å; V394-Y414 HydrophobicContact CG2-CE2 4Å; R395-Y414 PolarHBondContact NH1-O 2.89Å; M410-Y414 HydrophobicContact CG-CD1 4.17Å; M410-Y414 HydrophobicContact CG-CD2 3.98Å; M410-Y414 HydrophobicContact CG-CE1 3.72Å; M410-Y414 HydrophobicContact CG-CE2 3.56Å; M410-Y414 HydrophobicContact CG-CG 4.29Å; M410-Y414 VanDerWaalsContact CG-CZ 3.43Å; M410-Y414 WeakPolarHBondContact O-CB 3.43Å; M410-Y414 WeakPolarHBondContact O-CD1 3.31Å; M410-Y414 VanDerWaalsContact O-CG 3.31Å; M410-Y414 PolarHBondContact O-N 3.39Å; M410-Y414 HydrophobicContact SD-CE2 3.76Å; K411-Y414 PolarHBondContact O-N 2.8Å; L412-Y414 VanDerWaalsContact C-N 3.33Å; L412-Y414 PolarHBondContact O-N 2.71Å; Y414-F442 AromaticContact CD1-CE1 3.49Å; Y414-F442 HydrophobicContact CD1-CE1 3.49Å; Y414-F442 VanDerWaalsContact CD1-CE1 3.49Å; Y414-F442 AromaticContact CD1-CZ 3.81Å; Y414-F442 HydrophobicContact CD1-CZ 3.81Å; Y414-F442 AromaticContact CE1-CE1 3.3Å; Y414-F442 HydrophobicContact CE1-CE1 3.3Å; Y414-F442 AromaticContact CE1-CZ 3.51Å; Y414-F442 HydrophobicContact CE1-CZ 3.51Å
415S92.8Very high93.5Very high60 Ų6060.3 Ų60.342%0.4230%0.299SS..Hα-helixtrans-87.1-15176.3-57.30000112.8K411 L412 L413K411-S415 WeakPolarHBondContact O-CB 3.4Å; K411-S415 PolarHBondContact O-N 3.47Å; K411-S415 VanDerWaalsContact O-N 3.11Å; K411-S415 PolarHBondContact O-OG 3.14Å; L412-S415 PolarHBondContact O-N 3.19Å; L412-S415 VanDerWaalsContact O-N 3.12Å; L413-S415 VanDerWaalsContact C-N 3.27Å; L413-S415 PolarHBondContact O-N 2.99Å
416L93.4Very high93.7Very high50 Ų5059.5 Ų59.526%0.26230%0.298SS..SBendtrans-72.3131.7177.2-68.3173.3000111.1L412 L413 R421 L424L412-L416 PolarHBondContact O-N 3.12Å; L413-L416 PolarHBondContact O-N 3.12Å; L416-R421 HydrophobicContact CB-CG 3.61Å; L416-R421 HydrophobicContact CD1-CG 4.16Å; L416-R421 PolarHBondContact O-NE 3.46Å; L416-L424 HydrophobicContact CD1-CD1 3.94Å
417P92.2Very high93.9Very high61 Ų6165.4 Ų65.440%0.39633%0.328SS..  trans-54.5149.4169.2-24.133.7000111.7W419 S420 R421P417-W419 VanDerWaalsContact C-N 3.3Å; P417-W419 HydrophobicContact CB-CD2 4.5Å; P417-W419 HydrophobicContact CB-CG 4.4Å; P417-W419 HydrophobicContact CB-CZ2 4.44Å; P417-W419 HydrophobicContact CG-CZ2 4.47Å; P417-W419 PolarHBondContact O-N 3.41Å; P417-S420 WeakPolarHBondContact O-CB 3.33Å; P417-S420 PolarHBondContact O-N 2.65Å; P417-S420 VanDerWaalsContact O-N 3.14Å; P417-R421 PolarHBondContact O-N 2.74Å
418Y91.7Very high94Very high132 Ų13267 Ų6752%0.51834%0.338SS..Hα-helixtrans-57.1-43.7-175.884.8-89.3000111.9S420 R421 R422Y418-S420 VanDerWaalsContact C-N 3.31Å; Y418-S420 PolarHBondContact O-N 2.58Å; Y418-R421 WeakPolarHBondContact O-CB 3.07Å; Y418-R421 PolarHBondContact O-N 3.41Å; Y418-R422 WeakPolarHBondContact O-CG 3.31Å; Y418-R422 PolarHBondContact O-N 2.86Å
419W93.2Very high94.1Very high144 Ų14468.1 Ų68.155%0.54534%0.342SS..Hα-helixtrans-63.4-40.1-17960.8-97.1000110.9P417 R421 R422 M423P417-W419 VanDerWaalsContact C-N 3.3Å; P417-W419 HydrophobicContact CB-CD2 4.5Å; P417-W419 HydrophobicContact CB-CG 4.4Å; P417-W419 HydrophobicContact CB-CZ2 4.44Å; P417-W419 HydrophobicContact CG-CZ2 4.47Å; P417-W419 PolarHBondContact O-N 3.41Å; W419-R421 PolarHBondContact O-N 2.87Å; W419-R422 PolarHBondContact O-N 3Å; W419-M423 HydrophobicContact CE3-SD 4Å; W419-M423 HydrophobicContact CZ3-SD 4.22Å; W419-M423 WeakPolarHBondContact O-CG 3.24Å; W419-M423 PolarHBondContact O-N 2.89Å
420S95.3Very high94.1Very high20 Ų2070 Ų7014%0.1436%0.358CS..Hα-helixtrans-63.4-42.4176-43.60000111.1P417 Y418 R422 M423 L424P417-S420 WeakPolarHBondContact O-CB 3.33Å; P417-S420 PolarHBondContact O-N 2.65Å; P417-S420 VanDerWaalsContact O-N 3.14Å; Y418-S420 VanDerWaalsContact C-N 3.31Å; Y418-S420 PolarHBondContact O-N 2.58Å; S420-R422 PolarHBondContact O-N 3.21Å; S420-M423 PolarHBondContact O-N 3.37Å; S420-L424 WeakPolarHBondContact O-CB 3.35Å; S420-L424 VanDerWaalsContact O-CG 3.28Å; S420-L424 WeakPolarHBondContact O-CG 3.38Å; S420-L424 PolarHBondContact O-N 3.33Å
421R95.4Very high94Very high15 Ų1575.8 Ų75.86%0.05739%0.389CS..Hα-helixtrans-61.1-43.5174.1-71-176.2-74-172.40.2112G390 L416 P417 Y418 W419 L424 A425 L439 F442G390-R421 PolarHBondContact O-NH1 2.85Å; L416-R421 HydrophobicContact CB-CG 3.61Å; L416-R421 HydrophobicContact CD1-CG 4.16Å; L416-R421 PolarHBondContact O-NE 3.46Å; P417-R421 PolarHBondContact O-N 2.74Å; Y418-R421 WeakPolarHBondContact O-CB 3.07Å; Y418-R421 PolarHBondContact O-N 3.41Å; W419-R421 PolarHBondContact O-N 2.87Å; R421-L424 PolarHBondContact O-N 3.19Å; R421-A425 VanDerWaalsContact O-CB 3.28Å; R421-A425 WeakPolarHBondContact O-CB 3.48Å; R421-A425 PolarHBondContact O-N 3.03Å; R421-L439 HydrophobicContact CB-CD2 4.42Å; R421-L439 HydrophobicContact CG-CD2 4.29Å; R421-F442 VanDerWaalsContact NH1-CB 3.26Å
422R95.2Very high93.9Very high92 Ų9272.7 Ų72.735%0.34738%0.376SS..Hα-helixtrans-66.4-40.1179.2-63.3-64.5173.5112.53.7112Y418 W419 S420 A425 A426 K440 F442 E448Y418-R422 WeakPolarHBondContact O-CG 3.31Å; Y418-R422 PolarHBondContact O-N 2.86Å; W419-R422 PolarHBondContact O-N 3Å; S420-R422 PolarHBondContact O-N 3.21Å; R422-A425 WeakPolarHBondContact O-CB 3.28Å; R422-A425 PolarHBondContact O-N 3.1Å; R422-A426 PolarHBondContact O-N 3.33Å; R422-A426 VanDerWaalsContact O-N 3.07Å; R422-K440 PolarHBondContact NE-O 2.76Å; R422-K440 VanDerWaalsContact NE-O 3.08Å; R422-K440 PolarHBondContact NH2-O 3.28Å; R422-F442 PolarHBondContact NH2-O 3.43Å; R422-E448 IonicContact CZ-OE2 2.72Å; R422-E448 IonicContact NH1-OE2 2.83Å; R422-E448 IonicContact NH2-OE2 3.98Å; R422-E448 PolarHBondContact NH2-OE2 3.42Å
423M96.8Very high94Very high116 Ų11676.1 Ų76.157%0.57138%0.381SS*.Hα-helixtrans-62.7-50.3173.4-71.3-173.27800111.5W419 S420 A425 A426 L427W419-M423 HydrophobicContact CE3-SD 4Å; W419-M423 HydrophobicContact CZ3-SD 4.22Å; W419-M423 WeakPolarHBondContact O-CG 3.24Å; W419-M423 PolarHBondContact O-N 2.89Å; S420-M423 PolarHBondContact O-N 3.37Å; M423-A425 VanDerWaalsContact C-N 3.27Å; M423-A425 PolarHBondContact O-N 3.47Å; M423-A426 WeakPolarHBondContact O-CB 3.33Å; M423-A426 PolarHBondContact O-N 3.02Å; M423-A426 VanDerWaalsContact O-N 3.08Å; M423-L427 WeakPolarHBondContact O-CG 3.26Å; M423-L427 PolarHBondContact O-N 3.21Å
424L95.8Very high94.1Very high75 Ų7576.1 Ų76.139%0.39338%0.38SS..Hα-helixtrans-59.6-38.7176.4-70.9171.4000112L416 S420 R421 A426 L427 V428 L439L416-L424 HydrophobicContact CD1-CD1 3.94Å; S420-L424 WeakPolarHBondContact O-CB 3.35Å; S420-L424 VanDerWaalsContact O-CG 3.28Å; S420-L424 WeakPolarHBondContact O-CG 3.38Å; S420-L424 PolarHBondContact O-N 3.33Å; R421-L424 PolarHBondContact O-N 3.19Å; L424-A426 VanDerWaalsContact C-N 3.31Å; L424-A426 PolarHBondContact O-N 2.83Å; L424-L427 PolarHBondContact O-N 2.62Å; L424-V428 WeakPolarHBondContact O-CB 3.25Å; L424-V428 WeakPolarHBondContact O-CG1 3.41Å; L424-V428 PolarHBondContact O-N 3.1Å; L424-L439 HydrophobicContact CB-CD1 3.95Å
425A96.6Very high94.1Very high4 Ų477.6 Ų77.63%0.03339%0.391CS..Hα-helixtrans-60.1-41.3175.400000111.9R421 R422 M423 K429 S436 L439 K440R421-A425 VanDerWaalsContact O-CB 3.28Å; R421-A425 WeakPolarHBondContact O-CB 3.48Å; R421-A425 PolarHBondContact O-N 3.03Å; R422-A425 WeakPolarHBondContact O-CB 3.28Å; R422-A425 PolarHBondContact O-N 3.1Å; M423-A425 VanDerWaalsContact C-N 3.27Å; M423-A425 PolarHBondContact O-N 3.47Å; A425-K429 WeakPolarHBondContact O-CB 3.45Å; A425-K429 PolarHBondContact O-N 3.47Å; A425-S436 WeakPolarHBondContact O-CB 3.04Å; A425-S436 PolarHBondContact O-OG 3.41Å; A425-L439 HydrophobicContact CB-CB 3.71Å; A425-K440 HydrophobicContact CB-CB 3.88Å
426A96.5Very high94.2Very high67 Ų6775 Ų7555%0.55437%0.373SS*.Hα-helixtrans-67.5-43.417700000111.7R422 M423 L424R422-A426 PolarHBondContact O-N 3.33Å; R422-A426 VanDerWaalsContact O-N 3.07Å; M423-A426 WeakPolarHBondContact O-CB 3.33Å; M423-A426 PolarHBondContact O-N 3.02Å; M423-A426 VanDerWaalsContact O-N 3.08Å; L424-A426 VanDerWaalsContact C-N 3.31Å; L424-A426 PolarHBondContact O-N 2.83Å
427L96.5Very high94.3Very high128 Ų12873.1 Ų73.167%0.6736%0.363SS*.Hα-helixtrans-65.2-40.8-179.8-67.9172.9000112.8M423 L424 P430M423-L427 WeakPolarHBondContact O-CG 3.26Å; M423-L427 PolarHBondContact O-N 3.21Å; L424-L427 PolarHBondContact O-N 2.62Å; L427-P430 WeakPolarHBondContact O-CD 3.28Å
428V94.6Very high94.4Very high35 Ų3572 Ų7221%0.21235%0.353CS..Hα-helixtrans-83.8-17.9-176.581.50000113.3L424 L431 D432 T435 L439L424-V428 WeakPolarHBondContact O-CB 3.25Å; L424-V428 WeakPolarHBondContact O-CG1 3.41Å; L424-V428 PolarHBondContact O-N 3.1Å; V428-L431 PolarHBondContact O-N 3.31Å; V428-D432 HydrophobicContact CG2-CB 4.15Å; V428-D432 PolarHBondContact O-N 3.05Å; V428-T435 HydrophobicContact CG1-CG2 4.19Å; V428-T435 HydrophobicContact CG2-CG2 4.42Å; V428-L439 HydrophobicContact CG1-CD1 4.07Å
429K94.1Very high94.6Very high124 Ų12466.5 Ų66.554%0.53933%0.333SS..THydrogen-bonded Turntrans-49.7-41.9-175-173.1-178176.2-169.90115.1A425 L431 S436A425-K429 WeakPolarHBondContact O-CB 3.45Å; A425-K429 PolarHBondContact O-N 3.47Å; K429-L431 PolarHBondContact O-N 3.15Å; K429-S436 WeakPolarHBondContact CB-OG 3.35Å
430P91.4Very high94.6Very high112 Ų11264 Ų6473%0.72733%0.326SS*.THydrogen-bonded Turntrans-66.8-26.6179.1-20.634.5000113.4L427L427-P430 WeakPolarHBondContact O-CD 3.28Å
431L90.6Very high94.7Very high134 Ų13463.8 Ų63.870%0.70232%0.324SS*.THydrogen-bonded Turntrans-96.7-41-174.9-63.7169.7000112.5V428 K429 G534V428-L431 PolarHBondContact O-N 3.31Å; K429-L431 PolarHBondContact O-N 3.15Å; L431-G534 WeakPolarHBondContact O-CA 3.49Å
432D92.2Very high94.6Very high9 Ų963.3 Ų63.35%0.04832%0.322CS..  trans-146.698.5-175.3-174.8-13.7000110.3V428 R434 T435 S436V428-D432 HydrophobicContact CG2-CB 4.15Å; V428-D432 PolarHBondContact O-N 3.05Å; D432-R434 VanDerWaalsContact C-N 3.3Å; D432-R434 PolarHBondContact O-N 2.78Å; D432-R434 PolarHBondContact OD1-N 3.01Å; D432-T435 VanDerWaalsContact CG-CB 3.46Å; D432-T435 VanDerWaalsContact CG-OG1 3.24Å; D432-T435 PolarHBondContact OD1-N 3.27Å; D432-T435 VanDerWaalsContact OD2-CB 3.24Å; D432-T435 WeakPolarHBondContact OD2-CB 3.29Å; D432-T435 PolarHBondContact OD2-OG1 2.95Å; D432-S436 WeakPolarHBondContact O-CB 3.48Å; D432-S436 PolarHBondContact O-N 3.3Å
433R94.2Very high94.6Very high181 Ų18159.1 Ų59.168%0.68331%0.307SS*.Hα-helixtrans-65.9-32.9180-65.4177.6177-178.21.3112.1L437R433-L437 WeakPolarHBondContact O-CB 3.46Å; R433-L437 PolarHBondContact O-N 3.45Å
434R94.6Very high94.4Very high19 Ų1956 Ų567%0.07230%0.297CS..Hα-helixtrans-73.2-44.7-178.7-74.6178.8-83.4-74.4-12.4111.1F342 D432 S436 L437 L438 D533F342-R434 HydrophobicContact CE1-CG 4.11Å; F342-R434 HydrophobicContact CE2-CG 3.85Å; F342-R434 HydrophobicContact CZ-CB 4.36Å; F342-R434 HydrophobicContact CZ-CG 3.6Å; F342-R434 PolarHBondContact O-NH1 2.66Å; D432-R434 VanDerWaalsContact C-N 3.3Å; D432-R434 PolarHBondContact O-N 2.78Å; D432-R434 PolarHBondContact OD1-N 3.01Å; R434-S436 VanDerWaalsContact C-N 3.32Å; R434-S436 PolarHBondContact O-N 3.41Å; R434-L437 WeakPolarHBondContact O-CB 3.34Å; R434-L437 PolarHBondContact O-N 3.48Å; R434-L438 PolarHBondContact O-N 3.21Å; R434-D533 IonicContact CZ-OD1 3.23Å; R434-D533 VanDerWaalsContact CZ-OD1 3.23Å; R434-D533 IonicContact NH1-OD1 3.36Å; R434-D533 PolarHBondContact NH1-OD1 3.09Å; R434-D533 IonicContact NH1-OD2 2.93Å; R434-D533 VanDerWaalsContact NH2-C 3.34Å; R434-D533 PolarHBondContact NH2-O 2.99Å; R434-D533 IonicContact NH2-OD1 2.68Å; R434-D533 PolarHBondContact NH2-OD1 3.22Å; R434-D533 IonicContact NH2-OD2 3.58Å
435T92.9Very high94.3Very high52 Ų5256.4 Ų56.432%0.31930%0.3SS..Hα-helixtrans-64.6-38.6173.4-65.20000111.4V428 D432 L437 L438 L439V428-T435 HydrophobicContact CG1-CG2 4.19Å; V428-T435 HydrophobicContact CG2-CG2 4.42Å; D432-T435 VanDerWaalsContact CG-CB 3.46Å; D432-T435 VanDerWaalsContact CG-OG1 3.24Å; D432-T435 PolarHBondContact OD1-N 3.27Å; D432-T435 VanDerWaalsContact OD2-CB 3.24Å; D432-T435 WeakPolarHBondContact OD2-CB 3.29Å; D432-T435 PolarHBondContact OD2-OG1 2.95Å; T435-L437 PolarHBondContact O-N 2.7Å; T435-L438 PolarHBondContact O-N 3.2Å; T435-L439 HydrophobicContact CG2-CD1 3.94Å; T435-L439 WeakPolarHBondContact O-CG 3.11Å; T435-L439 PolarHBondContact O-N 2.99Å
436S95.2Very high94.1Very high6 Ų662 Ų624%0.04233%0.334CS..Hα-helixtrans-59.7-44.3172.3-179.30000112.2A425 K429 D432 R434 L439 K440A425-S436 WeakPolarHBondContact O-CB 3.04Å; A425-S436 PolarHBondContact O-OG 3.41Å; K429-S436 WeakPolarHBondContact CB-OG 3.35Å; D432-S436 WeakPolarHBondContact O-CB 3.48Å; D432-S436 PolarHBondContact O-N 3.3Å; R434-S436 VanDerWaalsContact C-N 3.32Å; R434-S436 PolarHBondContact O-N 3.41Å; S436-L439 PolarHBondContact O-N 2.57Å; S436-K440 WeakPolarHBondContact O-CG 3.22Å; S436-K440 PolarHBondContact O-N 3.36Å; S436-K440 VanDerWaalsContact O-N 3.1Å
437L96Very high94.1Very high9 Ų960 Ų605%0.04732%0.319CS..Hα-helixtrans-61.7-44.9175.4-178.965.8000111.8F342 T376 V379 R433 R434 T435 L439 K440 S441F342-L437 HydrophobicContact CE2-CD2 3.53Å; F342-L437 HydrophobicContact CZ-CD2 3.86Å; T376-L437 HydrophobicContact CG2-CD2 4.09Å; T376-L437 WeakPolarHBondContact O-CD2 3.45Å; V379-L437 HydrophobicContact CB-CD2 3.86Å; V379-L437 HydrophobicContact CG1-CD2 3.69Å; R433-L437 WeakPolarHBondContact O-CB 3.46Å; R433-L437 PolarHBondContact O-N 3.45Å; R434-L437 WeakPolarHBondContact O-CB 3.34Å; R434-L437 PolarHBondContact O-N 3.48Å; T435-L437 PolarHBondContact O-N 2.7Å; L437-L439 PolarHBondContact O-N 3.28Å; L437-K440 PolarHBondContact O-N 2.96Å; L437-S441 WeakPolarHBondContact O-CB 3.41Å; L437-S441 PolarHBondContact O-N 3.46Å; L437-S441 PolarHBondContact O-OG 2.89Å
438L94.1Very high93.9Very high38 Ų3855.3 Ų55.320%0.19929%0.294CS..Hα-helixtrans-55-55176.2177.860.1000111.1I383 L413 R434 T435 K440 S441 F442I383-L438 HydrophobicContact CD1-CB 4.46Å; I383-L438 HydrophobicContact CD1-CD1 3.95Å; I383-L438 HydrophobicContact CG1-CD1 4.14Å; I383-L438 HydrophobicContact CG2-CD1 4.32Å; L413-L438 HydrophobicContact CD2-CD1 3.96Å; L413-L438 HydrophobicContact CD2-CD2 3.85Å; L413-L438 HydrophobicContact CD2-CG 3.8Å; R434-L438 PolarHBondContact O-N 3.21Å; T435-L438 PolarHBondContact O-N 3.2Å; L438-K440 PolarHBondContact O-N 2.96Å; L438-S441 PolarHBondContact O-N 2.87Å; L438-F442 HydrophobicContact CD1-CE2 4.24Å; L438-F442 VanDerWaalsContact O-CD2 3.25Å; L438-F442 WeakPolarHBondContact O-CD2 3.39Å; L438-F442 WeakPolarHBondContact O-CE2 3.41Å
439L94.7Very high93.9Very high17 Ų1755 Ų559%0.08929%0.29CS..Hα-helixtrans-61.2-39.7-176.5-73.7162.5000113.2L413 R421 L424 A425 V428 T435 S436 L437L413-L439 HydrophobicContact CD1-CD2 3.44Å; L413-L439 VanDerWaalsContact CD1-CD2 3.44Å; L413-L439 HydrophobicContact CD1-CG 4.38Å; R421-L439 HydrophobicContact CB-CD2 4.42Å; R421-L439 HydrophobicContact CG-CD2 4.29Å; L424-L439 HydrophobicContact CB-CD1 3.95Å; A425-L439 HydrophobicContact CB-CB 3.71Å; V428-L439 HydrophobicContact CG1-CD1 4.07Å; T435-L439 HydrophobicContact CG2-CD1 3.94Å; T435-L439 WeakPolarHBondContact O-CG 3.11Å; T435-L439 PolarHBondContact O-N 2.99Å; S436-L439 PolarHBondContact O-N 2.57Å; L437-L439 PolarHBondContact O-N 3.28Å
440K94.9Very high93.9Very high91 Ų9156.7 Ų56.740%0.39629%0.294SS..Hα-helixtrans-81-19.2-174.677.4-174.5-176-1780114.7R422 A425 S436 L437 L438 F442R422-K440 PolarHBondContact NE-O 2.76Å; R422-K440 VanDerWaalsContact NE-O 3.08Å; R422-K440 PolarHBondContact NH2-O 3.28Å; A425-K440 HydrophobicContact CB-CB 3.88Å; S436-K440 WeakPolarHBondContact O-CG 3.22Å; S436-K440 PolarHBondContact O-N 3.36Å; S436-K440 VanDerWaalsContact O-N 3.1Å; L437-K440 PolarHBondContact O-N 2.96Å; L438-K440 PolarHBondContact O-N 2.96Å; K440-F442 VanDerWaalsContact C-N 3.33Å; K440-F442 PolarHBondContact O-N 2.88Å
441S95.8Very high94.1Very high16 Ų1656.4 Ų56.411%0.11228%0.278CS..THydrogen-bonded Turntrans-85.6-2.7-165.7-60.30000114.9G380 A384 L437 L438G380-S441 WeakPolarHBondContact CA-OG 3.33Å; G380-S441 WeakPolarHBondContact O-CB 3.48Å; A384-S441 WeakPolarHBondContact CA-O 3.2Å; A384-S441 VanDerWaalsContact CB-O 3.32Å; A384-S441 WeakPolarHBondContact CB-O 3.25Å; L437-S441 WeakPolarHBondContact O-CB 3.41Å; L437-S441 PolarHBondContact O-N 3.46Å; L437-S441 PolarHBondContact O-OG 2.89Å; L438-S441 PolarHBondContact O-N 2.87Å
442F94.6Very high94.3Very high4 Ų451.9 Ų51.92%0.01825%0.254CS..SBendtrans-72.4127.8174.4-68.2-101.5000110.7I383 T387 G390 L413 Y414 R421 R422 L438 K440I383-F442 HydrophobicContact CG2-CD2 4.16Å; I383-F442 HydrophobicContact CG2-CE2 3.97Å; I383-F442 HydrophobicContact CG2-CZ 4.28Å; T387-F442 HydrophobicContact CG2-CD1 3.95Å; T387-F442 HydrophobicContact CG2-CE1 3.56Å; T387-F442 HydrophobicContact CG2-CZ 4.39Å; T387-F442 VanDerWaalsContact OG1-CD1 3.24Å; T387-F442 WeakPolarHBondContact OG1-CD1 3.34Å; G390-F442 WeakPolarHBondContact O-CD1 3.47Å; L413-F442 HydrophobicContact CD1-CE2 4.15Å; L413-F442 HydrophobicContact CD1-CZ 4.41Å; L413-F442 HydrophobicContact CD2-CE2 3.79Å; L413-F442 HydrophobicContact CD2-CZ 3.54Å; L413-F442 HydrophobicContact CG-CE2 3.96Å; L413-F442 HydrophobicContact CG-CZ 3.73Å; Y414-F442 AromaticContact CD1-CE1 3.49Å; Y414-F442 HydrophobicContact CD1-CE1 3.49Å; Y414-F442 VanDerWaalsContact CD1-CE1 3.49Å; Y414-F442 AromaticContact CD1-CZ 3.81Å; Y414-F442 HydrophobicContact CD1-CZ 3.81Å; Y414-F442 AromaticContact CE1-CE1 3.3Å; Y414-F442 HydrophobicContact CE1-CE1 3.3Å; Y414-F442 AromaticContact CE1-CZ 3.51Å; Y414-F442 HydrophobicContact CE1-CZ 3.51Å; R421-F442 VanDerWaalsContact NH1-CB 3.26Å; R422-F442 PolarHBondContact NH2-O 3.43Å; L438-F442 HydrophobicContact CD1-CE2 4.24Å; L438-F442 VanDerWaalsContact O-CD2 3.25Å; L438-F442 WeakPolarHBondContact O-CD2 3.39Å; L438-F442 WeakPolarHBondContact O-CE2 3.41Å; K440-F442 VanDerWaalsContact C-N 3.33Å; K440-F442 PolarHBondContact O-N 2.88Å
443P93.8Very high94.5Very high4 Ų454.3 Ų54.33%0.02626%0.263CS..  trans-65.7139.4172.628.3-33.5000109.9T387 E448 L449T387-P443 VanDerWaalsContact O-CD 3.28Å; T387-P443 WeakPolarHBondContact O-CD 3.39Å; T387-P443 WeakPolarHBondContact O-CG 3.32Å; P443-E448 HydrophobicContact CB-CB 4.32Å; P443-L449 HydrophobicContact CB-CB 4.26Å; P443-L449 HydrophobicContact CB-CD1 4.42Å; P443-L449 HydrophobicContact CG-CD1 4.23Å
444S92.7Very high94.6Very high51 Ų5151.1 Ų51.136%0.35726%0.255SS..  trans-91-29.6174.952.80000113.5E448S444-E448 VanDerWaalsContact OG-CG 3.3Å; S444-E448 WeakPolarHBondContact OG-CG 3.17Å; S444-E448 PolarHBondContact OG-OE2 2.9Å
445D93.6Very high94.7Very high84 Ų8455.5 Ų55.545%0.44928%0.275SS..SBendtrans-153.5175.7-174.457.764.4000111.3G447 E448 L449D445-G447 VanDerWaalsContact C-N 3.26Å; D445-G447 PolarHBondContact O-N 2.89Å; D445-G447 VanDerWaalsContact OD1-CA 3.25Å; D445-G447 WeakPolarHBondContact OD1-CA 3.15Å; D445-G447 PolarHBondContact OD1-N 3.48Å; D445-E448 PolarHBondContact O-N 3.45Å; D445-E448 PolarHBondContact OD1-N 3.23Å; D445-L449 WeakPolarHBondContact O-CB 3.38Å; D445-L449 PolarHBondContact O-N 3.29Å
446T93.3Very high94.9Very high122 Ų12253 Ų5375%0.74826%0.26SS*.Hα-helixtrans-66.6-26.9-179.353.90000113R450T446-R450 WeakPolarHBondContact O-CB 3.36Å; T446-R450 PolarHBondContact O-N 3.43Å
447G96.2Very high95Very high23 Ų2354.4 Ų54.424%0.23728%0.275CS..Hα-helixtrans-69.4-45.4175.900000112D445 R451D445-G447 VanDerWaalsContact C-N 3.26Å; D445-G447 PolarHBondContact O-N 2.89Å; D445-G447 VanDerWaalsContact OD1-CA 3.25Å; D445-G447 WeakPolarHBondContact OD1-CA 3.15Å; D445-G447 PolarHBondContact OD1-N 3.48Å; G447-R451 WeakPolarHBondContact O-CG 3.44Å; G447-R451 PolarHBondContact O-N 3.08Å; G447-R451 VanDerWaalsContact O-N 3.16Å; G447-R451 PolarHBondContact O-NH1 3.07Å
448E93.5Very high95.1Very high31 Ų3157 Ų5715%0.14529%0.289CS..Hα-helixtrans-60.4-48170.7-59.1-118.8116.200111R422 P443 S444 D445 R450 R451 M452R422-E448 IonicContact CZ-OE2 2.72Å; R422-E448 IonicContact NH1-OE2 2.83Å; R422-E448 IonicContact NH2-OE2 3.98Å; R422-E448 PolarHBondContact NH2-OE2 3.42Å; P443-E448 HydrophobicContact CB-CB 4.32Å; S444-E448 VanDerWaalsContact OG-CG 3.3Å; S444-E448 WeakPolarHBondContact OG-CG 3.17Å; S444-E448 PolarHBondContact OG-OE2 2.9Å; D445-E448 PolarHBondContact O-N 3.45Å; D445-E448 PolarHBondContact OD1-N 3.23Å; E448-R450 VanDerWaalsContact C-N 3.33Å; E448-R450 PolarHBondContact O-N 3.14Å; E448-R451 VanDerWaalsContact CG-NH2 3.3Å; E448-R451 WeakPolarHBondContact O-CB 3.37Å; E448-R451 PolarHBondContact O-N 3.44Å; E448-R451 VanDerWaalsContact O-N 3.09Å; E448-R451 IonicContact OE1-NH2 3.47Å; E448-R451 PolarHBondContact OE1-NH2 3.33Å; E448-M452 WeakPolarHBondContact O-CG 3.34Å; E448-M452 PolarHBondContact O-N 2.91Å
449L92.9Very high95.3Very high27 Ų2756 Ų5614%0.14128%0.282CS..Hα-helixtrans-57.8-46.7-179.2-177.663.7000111.3V388 P443 D445 R451 M452 Y453V388-L449 HydrophobicContact CB-CD1 4Å; V388-L449 HydrophobicContact CB-CD2 4.16Å; V388-L449 HydrophobicContact CG1-CD1 4.07Å; P443-L449 HydrophobicContact CB-CB 4.26Å; P443-L449 HydrophobicContact CB-CD1 4.42Å; P443-L449 HydrophobicContact CG-CD1 4.23Å; D445-L449 WeakPolarHBondContact O-CB 3.38Å; D445-L449 PolarHBondContact O-N 3.29Å; L449-R451 VanDerWaalsContact C-N 3.33Å; L449-R451 PolarHBondContact O-N 3.18Å; L449-M452 WeakPolarHBondContact O-CB 3.22Å; L449-M452 PolarHBondContact O-N 2.93Å; L449-M452 VanDerWaalsContact O-N 3.08Å; L449-Y453 HydrophobicContact CD1-CD1 4.04Å; L449-Y453 HydrophobicContact CD1-CE1 3.45Å; L449-Y453 VanDerWaalsContact CD1-CE1 3.45Å; L449-Y453 HydrophobicContact CG-CD1 4.37Å; L449-Y453 HydrophobicContact CG-CE1 3.94Å; L449-Y453 HydrophobicContact CG-CE2 4.45Å; L449-Y453 PolarHBondContact O-N 3.27Å
450R95.3Very high95.4Very high161 Ų16158.4 Ų58.461%0.60829%0.29SS*.Hα-helixtrans-58.2-43.2175.3-172.2-159.666.977.8-3.8112T446 E448 M452 Y453 H454T446-R450 WeakPolarHBondContact O-CB 3.36Å; T446-R450 PolarHBondContact O-N 3.43Å; E448-R450 VanDerWaalsContact C-N 3.33Å; E448-R450 PolarHBondContact O-N 3.14Å; R450-M452 VanDerWaalsContact C-N 3.31Å; R450-M452 PolarHBondContact O-N 2.85Å; R450-Y453 PolarHBondContact O-N 2.77Å; R450-H454 PolarHBondContact O-N 2.98Å
451R95.8Very high95.5Very high106 Ų10661.2 Ų61.240%0.430%0.298SS..Hα-helixtrans-62.8-38.9175.3-71.1-172.6-61.9-89.57.7111.5G447 E448 L449 H454 K455G447-R451 WeakPolarHBondContact O-CG 3.44Å; G447-R451 PolarHBondContact O-N 3.08Å; G447-R451 VanDerWaalsContact O-N 3.16Å; G447-R451 PolarHBondContact O-NH1 3.07Å; E448-R451 VanDerWaalsContact CG-NH2 3.3Å; E448-R451 WeakPolarHBondContact O-CB 3.37Å; E448-R451 PolarHBondContact O-N 3.44Å; E448-R451 VanDerWaalsContact O-N 3.09Å; E448-R451 IonicContact OE1-NH2 3.47Å; E448-R451 PolarHBondContact OE1-NH2 3.33Å; L449-R451 VanDerWaalsContact C-N 3.33Å; L449-R451 PolarHBondContact O-N 3.18Å; R451-H454 PolarHBondContact O-N 3.2Å; R451-K455 WeakPolarHBondContact O-CG 3.11Å; R451-K455 PolarHBondContact O-N 2.87Å
452M94.6Very high95.7Very high39 Ų3962.8 Ų62.819%0.19231%0.309CS..Hα-helixtrans-65.9-43.1175.7-66-56.8144.700111.5L381 A384 E448 L449 R450 H454 K455 V456L381-M452 HydrophobicContact CD2-SD 4Å; A384-M452 HydrophobicContact CB-CB 4.23Å; A384-M452 HydrophobicContact CB-CG 4.04Å; E448-M452 WeakPolarHBondContact O-CG 3.34Å; E448-M452 PolarHBondContact O-N 2.91Å; L449-M452 WeakPolarHBondContact O-CB 3.22Å; L449-M452 PolarHBondContact O-N 2.93Å; L449-M452 VanDerWaalsContact O-N 3.08Å; R450-M452 VanDerWaalsContact C-N 3.31Å; R450-M452 PolarHBondContact O-N 2.85Å; M452-H454 VanDerWaalsContact C-N 3.3Å; M452-H454 PolarHBondContact O-N 3.48Å; M452-K455 HydrophobicContact CE-CD 4.44Å; M452-K455 CarbonylContact O-C 3.59Å; M452-K455 WeakPolarHBondContact O-CA 3.24Å; M452-K455 WeakPolarHBondContact O-CB 3.47Å; M452-K455 PolarHBondContact O-N 3.18Å; M452-K455 HydrophobicContact SD-CD 4.06Å; M452-V456 WeakPolarHBondContact O-CG2 3.39Å; M452-V456 PolarHBondContact O-N 3.34Å
453Y94.9Very high95.8Very high60 Ų6062.6 Ų62.624%0.23531%0.309CS..Hα-helixtrans-59.3-41.4175.5-75.88.7000112.3P281 L282 V388 L449 R450 K455 V456 G457P281-Y453 VanDerWaalsContact CD-OH 3.32Å; P281-Y453 WeakPolarHBondContact CD-OH 3.3Å; P281-Y453 HydrophobicContact CG-CE2 3.67Å; P281-Y453 WeakPolarHBondContact CG-OH 3.25Å; L282-Y453 HydrophobicContact CD1-CD1 3.43Å; L282-Y453 VanDerWaalsContact CD1-CD1 3.43Å; L282-Y453 HydrophobicContact CD1-CD2 3.99Å; L282-Y453 HydrophobicContact CD1-CE1 3.98Å; L282-Y453 HydrophobicContact CD1-CE2 4.48Å; L282-Y453 HydrophobicContact CD1-CG 3.43Å; L282-Y453 VanDerWaalsContact CD1-CG 3.43Å; L282-Y453 HydrophobicContact CG-CD1 4.32Å; L282-Y453 HydrophobicContact CG-CD2 4.46Å; L282-Y453 HydrophobicContact CG-CE1 4.42Å; L282-Y453 HydrophobicContact CG-CG 4.33Å; V388-Y453 HydrophobicContact CG1-CE1 4.44Å; V388-Y453 WeakPolarHBondContact CG1-OH 3.28Å; L449-Y453 HydrophobicContact CD1-CD1 4.04Å; L449-Y453 HydrophobicContact CD1-CE1 3.45Å; L449-Y453 VanDerWaalsContact CD1-CE1 3.45Å; L449-Y453 HydrophobicContact CG-CD1 4.37Å; L449-Y453 HydrophobicContact CG-CE1 3.94Å; L449-Y453 HydrophobicContact CG-CE2 4.45Å; L449-Y453 PolarHBondContact O-N 3.27Å; R450-Y453 PolarHBondContact O-N 2.77Å; Y453-K455 VanDerWaalsContact C-N 3.34Å; Y453-K455 PolarHBondContact O-N 2.87Å; Y453-V456 WeakPolarHBondContact O-CB 3.24Å; Y453-V456 PolarHBondContact O-N 3.49Å; Y453-G457 PolarHBondContact O-N 2.86Å; Y453-G457 VanDerWaalsContact O-N 3.16Å
454H97Very high96Very high113 Ų11364.9 Ų64.952%0.52332%0.324SS..Hα-helixtrans-61-43.5173.2-179.361.2000112.1R450 R451 M452 V456 G457 N458R450-H454 PolarHBondContact O-N 2.98Å; R451-H454 PolarHBondContact O-N 3.2Å; M452-H454 VanDerWaalsContact C-N 3.3Å; M452-H454 PolarHBondContact O-N 3.48Å; H454-V456 VanDerWaalsContact C-N 3.31Å; H454-V456 PolarHBondContact O-N 3.31Å; H454-G457 PolarHBondContact O-N 3.25Å; H454-N458 PolarHBondContact NE2-ND2 3.43Å; H454-N458 VanDerWaalsContact NE2-ND2 3.12Å; H454-N458 PolarHBondContact O-N 2.78Å
455K97.5Very high96.3Very high111 Ų11167.3 Ų67.348%0.48333%0.33SS..Hα-helixtrans-63.6-33.5176-71.6177.2178.4-172.40113.1L381 R451 M452 Y453 N458 Y459L381-K455 HydrophobicContact CD1-CB 4.3Å; L381-K455 HydrophobicContact CD2-CB 3.57Å; L381-K455 HydrophobicContact CD2-CD 4.35Å; R451-K455 WeakPolarHBondContact O-CG 3.11Å; R451-K455 PolarHBondContact O-N 2.87Å; M452-K455 HydrophobicContact CE-CD 4.44Å; M452-K455 CarbonylContact O-C 3.59Å; M452-K455 WeakPolarHBondContact O-CA 3.24Å; M452-K455 WeakPolarHBondContact O-CB 3.47Å; M452-K455 PolarHBondContact O-N 3.18Å; M452-K455 HydrophobicContact SD-CD 4.06Å; Y453-K455 VanDerWaalsContact C-N 3.34Å; Y453-K455 PolarHBondContact O-N 2.87Å; K455-N458 PolarHBondContact O-N 3.27Å; K455-Y459 WeakPolarHBondContact O-CB 3.38Å; K455-Y459 PolarHBondContact O-N 3.48Å
456V96.9Very high96.5Very high1 Ų164.7 Ų64.71%0.00632%0.32CS..Hα-helixtrans-61.4-46.4172.6174.60000110.7L282 L381 I385 M452 Y453 H454 N458 Y459 R460 L505L282-V456 HydrophobicContact CD1-CB 4.03Å; L282-V456 HydrophobicContact CD1-CG1 4.06Å; L282-V456 HydrophobicContact CD1-CG2 4.27Å; L381-V456 HydrophobicContact CB-CG2 4.11Å; L381-V456 HydrophobicContact CD1-CG2 4.3Å; L381-V456 HydrophobicContact CD2-CG2 4.14Å; L381-V456 HydrophobicContact CG-CG2 4.4Å; I385-V456 HydrophobicContact CD1-CB 4.3Å; I385-V456 HydrophobicContact CD1-CG1 4.08Å; I385-V456 HydrophobicContact CD1-CG2 3.27Å; I385-V456 HydrophobicContact CG1-CG2 3.95Å; M452-V456 WeakPolarHBondContact O-CG2 3.39Å; M452-V456 PolarHBondContact O-N 3.34Å; Y453-V456 WeakPolarHBondContact O-CB 3.24Å; Y453-V456 PolarHBondContact O-N 3.49Å; H454-V456 VanDerWaalsContact C-N 3.31Å; H454-V456 PolarHBondContact O-N 3.31Å; V456-N458 VanDerWaalsContact C-N 3.32Å; V456-N458 PolarHBondContact O-N 2.72Å; V456-Y459 PolarHBondContact O-N 3.24Å; V456-R460 HydrophobicContact CG1-CG 4.48Å; V456-R460 WeakPolarHBondContact O-CB 3.43Å; V456-R460 WeakPolarHBondContact O-CG 3.17Å; V456-R460 PolarHBondContact O-N 2.85Å; V456-L505 HydrophobicContact CG1-CD1 3.81Å; V456-L505 HydrophobicContact CG2-CD1 4.17Å
457G96.6Very high96.8Very high35 Ų3559.4 Ų59.436%0.36129%0.286SS..Hα-helixtrans-58-44.3175.100000112.5Y453 H454 R461Y453-G457 PolarHBondContact O-N 2.86Å; Y453-G457 VanDerWaalsContact O-N 3.16Å; H454-G457 PolarHBondContact O-N 3.25Å; G457-R461 PolarHBondContact O-N 3.33Å; G457-R461 VanDerWaalsContact O-N 3.09Å
458N98Very high96.8Very high64 Ų6466.4 Ų66.434%0.34231%0.31SS..Hα-helixtrans-66-41.8177.3-63.9-15.6000112.2H454 K455 V456 R461 S462H454-N458 PolarHBondContact NE2-ND2 3.43Å; H454-N458 VanDerWaalsContact NE2-ND2 3.12Å; H454-N458 PolarHBondContact O-N 2.78Å; K455-N458 PolarHBondContact O-N 3.27Å; V456-N458 VanDerWaalsContact C-N 3.32Å; V456-N458 PolarHBondContact O-N 2.72Å; N458-R461 PolarHBondContact O-N 2.95Å; N458-S462 PolarHBondContact O-N 3.06Å
459Y98.2Very high97Very high15 Ų1571.5 Ų71.56%0.05934%0.338CS..Hα-helixtrans-63.1-46.8177.7-175-92.9000111.6P373 D374 A378 L381 K455 V456 R461 S462 F463 L502 L505 L506P373-Y459 WeakPolarHBondContact O-CE2 3.48Å; P373-Y459 VanDerWaalsContact O-CZ 3.3Å; P373-Y459 PolarHBondContact O-OH 3.37Å; D374-Y459 WeakPolarHBondContact O-CE2 3.18Å; A378-Y459 HydrophobicContact CB-CD1 4.49Å; A378-Y459 HydrophobicContact CB-CD2 4.42Å; A378-Y459 HydrophobicContact CB-CE1 3.76Å; A378-Y459 HydrophobicContact CB-CE2 3.69Å; A378-Y459 WeakPolarHBondContact CB-OH 3.47Å; L381-Y459 HydrophobicContact CD1-CG 4.16Å; K455-Y459 WeakPolarHBondContact O-CB 3.38Å; K455-Y459 PolarHBondContact O-N 3.48Å; V456-Y459 PolarHBondContact O-N 3.24Å; Y459-R461 VanDerWaalsContact C-N 3.29Å; Y459-R461 PolarHBondContact O-N 3.42Å; Y459-S462 PolarHBondContact O-N 3.22Å; Y459-F463 HydrophobicContact CE1-CD2 4.49Å; Y459-F463 PolarHBondContact O-N 2.72Å; Y459-L502 HydrophobicContact CE1-CD1 3.79Å; Y459-L502 WeakPolarHBondContact OH-CD1 3.13Å; Y459-L505 HydrophobicContact CD1-CD2 3.81Å; Y459-L505 HydrophobicContact CE1-CD2 4.03Å; Y459-L506 HydrophobicContact CD1-CD2 3.98Å; Y459-L506 HydrophobicContact CE1-CD2 3.89Å; Y459-L506 HydrophobicContact CE1-CG 4.46Å
460R97.7Very high97.3Very high69 Ų6971.6 Ų71.626%0.2634%0.343SS..Hα-helixtrans-55.3-45.3174.7-77.4177.3172.6176.9-3.8111.6L282 V456 F463 C464 L505 L506L282-R460 PolarHBondContact O-NH2 3.34Å; V456-R460 HydrophobicContact CG1-CG 4.48Å; V456-R460 WeakPolarHBondContact O-CB 3.43Å; V456-R460 WeakPolarHBondContact O-CG 3.17Å; V456-R460 PolarHBondContact O-N 2.85Å; R460-F463 PolarHBondContact O-N 3.01Å; R460-C464 PolarHBondContact O-N 3.34Å; R460-C464 PolarHBondContact O-SG 3.24Å; R460-L505 PolarHBondContact NE-O 2.92Å; R460-L505 PolarHBondContact NH2-O 3.24Å; R460-L506 HydrophobicContact CG-CD2 4.03Å
461R97.4Very high97.4Very high150 Ų15066 Ų6657%0.56634%0.335SS*.Hα-helixtrans-60-51.4177-173.2-176.6-58.7148.14.2111.6G457 N458 Y459 F463 C464 E465G457-R461 PolarHBondContact O-N 3.33Å; G457-R461 VanDerWaalsContact O-N 3.09Å; N458-R461 PolarHBondContact O-N 2.95Å; Y459-R461 VanDerWaalsContact C-N 3.29Å; Y459-R461 PolarHBondContact O-N 3.42Å; R461-F463 VanDerWaalsContact C-N 3.3Å; R461-F463 PolarHBondContact O-N 3.45Å; R461-C464 PolarHBondContact O-N 3.2Å; R461-C464 VanDerWaalsContact O-N 3.13Å; R461-E465 HydrophobicContact CG-CG 4.43Å; R461-E465 WeakPolarHBondContact CG-OE1 3.38Å; R461-E465 WeakPolarHBondContact O-CG 3.47Å; R461-E465 PolarHBondContact O-N 3.18Å
462S98.1Very high97.5Very high49 Ų4961.6 Ų61.634%0.34332%0.319SS..Hα-helixtrans-59.7-39.8179.31770000112.6N458 Y459 E465 A466N458-S462 PolarHBondContact O-N 3.06Å; Y459-S462 PolarHBondContact O-N 3.22Å; S462-E465 PolarHBondContact O-N 3.21Å; S462-A466 WeakPolarHBondContact O-CB 3.41Å; S462-A466 PolarHBondContact O-N 2.65Å
463F98.4Very high97.7Very high0 Ų061.4 Ų61.40%032%0.319CS..Hα-helixtrans-64-44.3175-168-79.7000111.9F370 P372 P373 Y459 R460 R461 A466 W467 L502 Y503 L506 L508F370-F463 HydrophobicContact CE1-CE2 4.09Å; F370-F463 AromaticContact CE1-CZ 3.88Å; F370-F463 HydrophobicContact CE1-CZ 3.88Å; F370-F463 HydrophobicContact CZ-CE1 4.49Å; F370-F463 HydrophobicContact CZ-CE2 4.31Å; F370-F463 HydrophobicContact CZ-CZ 4.12Å; P372-F463 HydrophobicContact CB-CE2 4.22Å; P373-F463 HydrophobicContact CG-CB 4.09Å; P373-F463 HydrophobicContact CG-CD2 3.98Å; P373-F463 HydrophobicContact CG-CG 4.42Å; Y459-F463 HydrophobicContact CE1-CD2 4.49Å; Y459-F463 PolarHBondContact O-N 2.72Å; R460-F463 PolarHBondContact O-N 3.01Å; R461-F463 VanDerWaalsContact C-N 3.3Å; R461-F463 PolarHBondContact O-N 3.45Å; F463-A466 PolarHBondContact O-N 2.87Å; F463-W467 AromaticContact CE1-CE3 3.61Å; F463-W467 HydrophobicContact CE1-CE3 3.61Å; F463-W467 HydrophobicContact CE1-CZ3 4.15Å; F463-W467 HydrophobicContact CZ-CE3 4.18Å; F463-W467 HydrophobicContact CZ-CZ3 4.47Å; F463-W467 WeakPolarHBondContact O-CB 3.49Å; F463-W467 PolarHBondContact O-N 2.74Å; F463-L502 HydrophobicContact CE2-CD2 4.3Å; F463-Y503 HydrophobicContact CZ-CE1 4.25Å; F463-L506 HydrophobicContact CB-CD1 4.44Å; F463-L506 HydrophobicContact CB-CD2 3.71Å; F463-L506 HydrophobicContact CD1-CD1 3.64Å; F463-L506 HydrophobicContact CD1-CD2 4.14Å; F463-L506 HydrophobicContact CD1-CG 4.48Å; F463-L506 HydrophobicContact CD2-CD1 3.51Å; F463-L506 HydrophobicContact CD2-CD2 4.26Å; F463-L506 HydrophobicContact CE1-CD1 3.64Å; F463-L506 HydrophobicContact CE2-CD1 3.53Å; F463-L506 HydrophobicContact CG-CD1 3.58Å; F463-L506 HydrophobicContact CG-CD2 3.78Å; F463-L506 HydrophobicContact CG-CG 4.33Å; F463-L506 HydrophobicContact CZ-CD1 3.6Å; F463-L508 HydrophobicContact CD1-CD1 4.38Å; F463-L508 HydrophobicContact CE1-CD1 3.76Å; F463-L508 HydrophobicContact CZ-CD1 4.46Å
464C98Very high97.9Very high52 Ų5258.6 Ų58.635%0.35131%0.308SS..Hα-helixtrans-65-39177.4-65.20000112.3R460 R461 W467 K468R460-C464 PolarHBondContact O-N 3.34Å; R460-C464 PolarHBondContact O-SG 3.24Å; R461-C464 PolarHBondContact O-N 3.2Å; R461-C464 VanDerWaalsContact O-N 3.13Å; C464-W467 PolarHBondContact O-N 2.72Å; C464-K468 VanDerWaalsContact O-CB 3.3Å; C464-K468 WeakPolarHBondContact O-CB 3.34Å; C464-K468 PolarHBondContact O-N 2.82Å
465E98Very high98Very high102 Ų10253.2 Ų53.248%0.47728%0.283SS..Hα-helixtrans-62.1-50.9174.6-73.8166.917700110.4R461 S462 W467 K468 D469R461-E465 HydrophobicContact CG-CG 4.43Å; R461-E465 WeakPolarHBondContact CG-OE1 3.38Å; R461-E465 WeakPolarHBondContact O-CG 3.47Å; R461-E465 PolarHBondContact O-N 3.18Å; S462-E465 PolarHBondContact O-N 3.21Å; E465-W467 VanDerWaalsContact C-N 3.31Å; E465-W467 PolarHBondContact O-N 2.73Å; E465-K468 PolarHBondContact O-N 2.83Å; E465-K468 VanDerWaalsContact O-N 3.13Å; E465-D469 WeakPolarHBondContact O-CB 3.46Å; E465-D469 PolarHBondContact O-N 2.61Å
466A98.3Very high98.1Very high29 Ų2947.9 Ų47.924%0.2426%0.26CS..Hα-helixtrans-58.8-41.4176.400000112.6F370 S462 F463 A470F370-A466 HydrophobicContact CE2-CB 4.08Å; F370-A466 HydrophobicContact CZ-CB 4.37Å; S462-A466 WeakPolarHBondContact O-CB 3.41Å; S462-A466 PolarHBondContact O-N 2.65Å; F463-A466 PolarHBondContact O-N 2.87Å; A466-A470 WeakPolarHBondContact O-CB 3.47Å; A466-A470 PolarHBondContact O-N 3.46Å; A466-A470 VanDerWaalsContact O-N 3.09Å
467W98.5Very high98.2Very high11 Ų1147.9 Ų47.94%0.04226%0.26CS..Hα-helixtrans-62.1-44.6176-174.6-70.3000111.8F463 C464 E465 G471 L472 L475 M562F463-W467 AromaticContact CE1-CE3 3.61Å; F463-W467 HydrophobicContact CE1-CE3 3.61Å; F463-W467 HydrophobicContact CE1-CZ3 4.15Å; F463-W467 HydrophobicContact CZ-CE3 4.18Å; F463-W467 HydrophobicContact CZ-CZ3 4.47Å; F463-W467 WeakPolarHBondContact O-CB 3.49Å; F463-W467 PolarHBondContact O-N 2.74Å; C464-W467 PolarHBondContact O-N 2.72Å; E465-W467 VanDerWaalsContact C-N 3.31Å; E465-W467 PolarHBondContact O-N 2.73Å; W467-G471 PolarHBondContact O-N 3.31Å; W467-L472 HydrophobicContact CD2-CB 3.99Å; W467-L472 HydrophobicContact CD2-CD1 3.99Å; W467-L472 HydrophobicContact CD2-CG 4.49Å; W467-L472 HydrophobicContact CE3-CD1 4.08Å; W467-L472 HydrophobicContact CG-CB 4.12Å; W467-L472 HydrophobicContact CG-CD1 4.34Å; W467-L472 HydrophobicContact CZ2-CB 4.04Å; W467-L472 PolarHBondContact NE1-O 3.41Å; W467-L472 PolarHBondContact O-N 3.5Å; W467-L475 HydrophobicContact CE3-CD2 4.48Å; W467-L475 HydrophobicContact CH2-CB 3.51Å; W467-L475 HydrophobicContact CZ3-CB 3.54Å; W467-L475 HydrophobicContact CZ3-CD2 3.73Å; W467-L475 HydrophobicContact CZ3-CG 4.31Å; W467-M562 HydrophobicContact CD2-CG 4.01Å; W467-M562 HydrophobicContact CD2-SD 3.98Å; W467-M562 HydrophobicContact CE3-SD 4.49Å; W467-M562 HydrophobicContact CG-CG 4.14Å; W467-M562 HydrophobicContact CG-SD 4.02Å; W467-M562 HydrophobicContact CZ2-CG 4.01Å
468K97.9Very high98.3Very high170 Ų17046.2 Ų46.274%0.73924%0.243SC*.Hα-helixtrans-66.8-44.3178.6-176.9-176.4176.5-173.70111.7C464 E465 A470 G471C464-K468 VanDerWaalsContact O-CB 3.3Å; C464-K468 WeakPolarHBondContact O-CB 3.34Å; C464-K468 PolarHBondContact O-N 2.82Å; E465-K468 PolarHBondContact O-N 2.83Å; E465-K468 VanDerWaalsContact O-N 3.13Å; K468-A470 VanDerWaalsContact C-N 3.27Å; K468-A470 PolarHBondContact O-N 2.92Å; K468-G471 WeakPolarHBondContact O-CA 3.41Å; K468-G471 PolarHBondContact O-N 3.31Å
469D98Very high98.2Very high137 Ų13743.2 Ų43.273%0.73323%0.227SC*.Hα-helixtrans-64.1-34.7-179.6-69.2-13.7000111.6E465 G471E465-D469 WeakPolarHBondContact O-CB 3.46Å; E465-D469 PolarHBondContact O-N 2.61Å; D469-G471 PolarHBondContact O-N 3.24Å
470A97.9Very high98.2Very high30 Ų3042.5 Ų42.525%0.24822%0.224CC..THydrogen-bonded Turntrans-76-10.6171.900000113.6F370 A466 K468 L472F370-A470 HydrophobicContact CD2-CB 4.16Å; A466-A470 WeakPolarHBondContact O-CB 3.47Å; A466-A470 PolarHBondContact O-N 3.46Å; A466-A470 VanDerWaalsContact O-N 3.09Å; K468-A470 VanDerWaalsContact C-N 3.27Å; K468-A470 PolarHBondContact O-N 2.92Å; A470-L472 HydrophobicContact CB-CD1 4.27Å; A470-L472 HydrophobicContact CB-CD2 3.75Å; A470-L472 HydrophobicContact CB-CG 3.73Å
471G97.9Very high98.2Very high42 Ų4239.2 Ų39.243%0.43321%0.212SC..THydrogen-bonded Turntrans67.634.5178.300000113.6T333 W467 K468 D469T333-G471 VanDerWaalsContact CB-O 3.23Å; T333-G471 WeakPolarHBondContact CB-O 3.15Å; T333-G471 VanDerWaalsContact CG2-O 3.27Å; T333-G471 WeakPolarHBondContact CG2-O 3.23Å; W467-G471 PolarHBondContact O-N 3.31Å; K468-G471 WeakPolarHBondContact O-CA 3.41Å; K468-G471 PolarHBondContact O-N 3.31Å; D469-G471 PolarHBondContact O-N 3.24Å
472L98.7Very high98.2Very high14 Ų1432 Ų327%0.07319%0.185CC..  trans-80.3138.5-170.8-52.1-174000112.9T333 V368 F370 W467 A470T333-L472 HydrophobicContact CG2-CD2 4.1Å; V368-L472 HydrophobicContact CG2-CD2 3.2Å; F370-L472 HydrophobicContact CB-CD1 4.18Å; F370-L472 HydrophobicContact CD1-CD1 4.36Å; F370-L472 HydrophobicContact CD2-CD1 3.56Å; F370-L472 HydrophobicContact CE2-CD1 3.96Å; F370-L472 HydrophobicContact CG-CD1 3.77Å; W467-L472 HydrophobicContact CD2-CB 3.99Å; W467-L472 HydrophobicContact CD2-CD1 3.99Å; W467-L472 HydrophobicContact CD2-CG 4.49Å; W467-L472 HydrophobicContact CE3-CD1 4.08Å; W467-L472 HydrophobicContact CG-CB 4.12Å; W467-L472 HydrophobicContact CG-CD1 4.34Å; W467-L472 HydrophobicContact CZ2-CB 4.04Å; W467-L472 PolarHBondContact NE1-O 3.41Å; W467-L472 PolarHBondContact O-N 3.5Å; A470-L472 HydrophobicContact CB-CD1 4.27Å; A470-L472 HydrophobicContact CB-CD2 3.75Å; A470-L472 HydrophobicContact CB-CG 3.73Å
473D98.5Very high98.1Very high36 Ų3629.7 Ų29.719%0.19317%0.168CC..SBendtrans-89.7-37.9163.1-70-65.3000111.4R330 L332 T333R330-D473 IonicContact CZ-OD1 3.75Å; R330-D473 IonicContact CZ-OD2 3.88Å; R330-D473 IonicContact NH1-OD1 3.17Å; R330-D473 PolarHBondContact NH1-OD1 3.45Å; R330-D473 IonicContact NH1-OD2 3.16Å; R330-D473 PolarHBondContact NH1-OD2 2.91Å; R330-D473 IonicContact NH2-OD1 2.75Å; R330-D473 PolarHBondContact NH2-OD1 3.44Å; R330-D473 IonicContact NH2-OD2 2.62Å; L332-D473 WeakPolarHBondContact CA-OD2 3.46Å; L332-D473 HydrophobicContact CB-CB 4.15Å; L332-D473 HydrophobicContact CD2-CB 3.83Å; T333-D473 PolarHBondContact N-OD2 3.1Å; T333-D473 PolarHBondContact O-N 3.24Å
474A98.8Very high98.1Very high0 Ų029.8 Ų29.80%017%0.169CC..EExtended strand (participates in β ladder)trans-150.6173.2-177.500000110.9T333 I334 G335 V560 V568 L572T333-A474 PolarHBondContact O-N 2.94Å; I334-A474 CarbonylContact C-O 3.56Å; I334-A474 WeakPolarHBondContact CA-O 3.43Å; G335-A474 PolarHBondContact N-O 3.34Å; A474-V560 CarbonylContact C-O 3.54Å; A474-V560 WeakPolarHBondContact CA-O 3.44Å; A474-V568 HydrophobicContact CB-CG1 4.4Å; A474-L572 HydrophobicContact CB-CD2 3.53Å
475L98.9Very high98Very high0 Ų027.3 Ų27.30%015%0.152CC..EExtended strand (participates in β ladder)trans-139.1135.4-179.6171.662.9000109.8G335 Y337 F370 W467 Y503 V559 V560G335-L475 VanDerWaalsContact C-CD1 3.45Å; G335-L475 CarbonylContact O-C 3.58Å; G335-L475 WeakPolarHBondContact O-CA 3.42Å; G335-L475 WeakPolarHBondContact O-CD1 3.37Å; Y337-L475 HydrophobicContact CD1-CD1 3.96Å; Y337-L475 HydrophobicContact CE1-CD1 4.2Å; Y337-L475 HydrophobicContact CE1-CD2 4.07Å; Y337-L475 HydrophobicContact CE1-CG 4.39Å; F370-L475 HydrophobicContact CB-CD1 4.11Å; F370-L475 HydrophobicContact CD1-CD1 3.75Å; F370-L475 HydrophobicContact CD1-CD2 3.9Å; F370-L475 HydrophobicContact CD1-CG 4.49Å; F370-L475 HydrophobicContact CE1-CD2 3.99Å; F370-L475 HydrophobicContact CG-CD1 4.27Å; W467-L475 HydrophobicContact CE3-CD2 4.48Å; W467-L475 HydrophobicContact CH2-CB 3.51Å; W467-L475 HydrophobicContact CZ3-CB 3.54Å; W467-L475 HydrophobicContact CZ3-CD2 3.73Å; W467-L475 HydrophobicContact CZ3-CG 4.31Å; L475-Y503 HydrophobicContact CD2-CE1 4.08Å; L475-Y503 WeakPolarHBondContact CD2-OH 3.19Å; L475-V559 CarbonylContact O-C 3.28Å; L475-V559 WeakPolarHBondContact O-CA 3.33Å; L475-V560 HydrophobicContact CB-CB 4.28Å; L475-V560 PolarHBondContact N-O 3.36Å; L475-V560 PolarHBondContact O-N 3.49Å
476I98.9Very high97.9Very high0 Ų023 Ų230%013%0.133CC..EExtended strand (participates in β ladder)trans-111.2136.3169.263.4172.8000110.8I334 G335 Y336 Y337 I353 L360 L367 L557 Q558 V559 L572I334-I476 HydrophobicContact CG2-CG1 4.1Å; I334-I476 HydrophobicContact CG2-CG2 3.92Å; G335-I476 PolarHBondContact O-N 3.02Å; Y336-I476 VanDerWaalsContact CA-O 3.31Å; Y336-I476 WeakPolarHBondContact CA-O 3.41Å; Y337-I476 PolarHBondContact N-O 2.6Å; I353-I476 HydrophobicContact CG2-CD1 4.49Å; L360-I476 HydrophobicContact CD1-CD1 3.93Å; L360-I476 HydrophobicContact CD1-CG2 4.44Å; L367-I476 HydrophobicContact CD1-CD1 4.04Å; I476-L557 HydrophobicContact CB-CD1 4.08Å; I476-L557 HydrophobicContact CB-CD2 4.07Å; I476-L557 HydrophobicContact CB-CG 4.32Å; I476-L557 HydrophobicContact CD1-CD1 4.28Å; I476-L557 HydrophobicContact CG2-CD1 4.34Å; I476-L557 HydrophobicContact CG2-CD2 3.88Å; I476-Q558 WeakPolarHBondContact CA-O 3.47Å; I476-V559 HydrophobicContact CG2-CG2 4.44Å; I476-L572 HydrophobicContact CG2-CD2 4.09Å
477C98.8Very high97.5Very high0 Ų022.6 Ų22.60%013%0.127CC..EExtended strand (participates in β ladder)trans-158.9169.8-17961.50000110.9Y337 I353 A479 Y503 Q558Y337-C477 HydrophobicContact CD1-CB 3.84Å; Y337-C477 HydrophobicContact CD2-CB 4.12Å; Y337-C477 HydrophobicContact CE1-CB 3.31Å; Y337-C477 HydrophobicContact CE2-CB 3.66Å; Y337-C477 HydrophobicContact CG-CB 4.2Å; Y337-C477 WeakPolarHBondContact OH-CB 3.23Å; Y337-C477 PolarHBondContact OH-SG 3.48Å; I353-C477 WeakPolarHBondContact CD1-O 3.42Å; C477-A479 PolarHBondContact O-N 3.01Å; C477-Y503 PolarHBondContact SG-OH 3.13Å; C477-Y503 VanDerWaalsContact SG-OH 3.36Å; C477-Q558 PolarHBondContact N-O 3.47Å; C477-Q558 WeakPolarHBondContact O-CA 3.4Å; C477-Q558 WeakPolarHBondContact O-CB 3.48Å; C477-Q558 PolarHBondContact O-N 3.47Å; C477-Q558 PolarHBondContact SG-NE2 2.9Å; C477-Q558 VanDerWaalsContact SG-NE2 3.36Å
478P98.7Very high97Very high1 Ų129.2 Ų29.21%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-59.9139.7171.9-23.434.6000111.4Y337 E338 A345 C349 I353 C480 Y499 Q558Y337-P478 WeakPolarHBondContact O-CD 3.37Å; E338-P478 VanDerWaalsContact O-CG 3.23Å; E338-P478 WeakPolarHBondContact O-CG 3.46Å; A345-P478 HydrophobicContact CB-CB 4.5Å; A345-P478 HydrophobicContact CB-CG 4.02Å; C349-P478 HydrophobicContact CB-CB 4.2Å; C349-P478 HydrophobicContact CB-CG 4.44Å; I353-P478 HydrophobicContact CG1-CG 4.01Å; P478-C480 VanDerWaalsContact C-N 3.26Å; P478-C480 PolarHBondContact O-N 3.22Å; P478-Y499 HydrophobicContact CB-CD1 3.79Å; P478-Y499 HydrophobicContact CB-CE1 3.82Å; P478-Y499 HydrophobicContact CG-CD1 4.15Å; P478-Y499 HydrophobicContact CG-CE1 3.73Å; P478-Y499 WeakPolarHBondContact O-CD1 3.47Å; P478-Q558 PolarHBondContact O-NE2 3.46Å
479A97.7Very high96.7Very high0 Ų021.5 Ų21.50%012%0.123CC..SBendtrans-66.8-32.2171.900000112.5H254 C477 V512 Q558H254-A479 HydrophobicContact CB-CB 3.84Å; C477-A479 PolarHBondContact O-N 3.01Å; A479-V512 HydrophobicContact CB-CG1 4.23Å; A479-V512 HydrophobicContact CB-CG2 3.57Å; A479-Q558 HydrophobicContact CB-CB 3.95Å
480C97.4Very high96.2Very high0 Ų015.1 Ų15.10%09%0.089CC..SBendtrans-154.8149-179-170.20000106.5F255 C349 P478 I482F255-C480 HydrophobicContact CE1-CB 4.33Å; C349-C480 PolarHBondContact SG-O 2.9Å; P478-C480 VanDerWaalsContact C-N 3.26Å; P478-C480 PolarHBondContact O-N 3.22Å; C480-I482 PolarHBondContact O-N 3.48Å
481P97.1Very high95.6Very high0 Ų014.1 Ų14.10%08%0.08CC..SBendtrans-72.6-5.5178.727.5-32.4000113.6F343 A345 I346 I496 Y499F343-P481 HydrophobicContact CB-CB 4.37Å; F343-P481 HydrophobicContact CB-CG 4.2Å; F343-P481 HydrophobicContact CD1-CB 3.41Å; F343-P481 VanDerWaalsContact CD1-CB 3.41Å; F343-P481 HydrophobicContact CD1-CG 3.53Å; F343-P481 HydrophobicContact CD2-CG 4.14Å; F343-P481 HydrophobicContact CE1-CB 3.88Å; F343-P481 HydrophobicContact CE1-CG 3.88Å; F343-P481 HydrophobicContact CE2-CG 4.44Å; F343-P481 HydrophobicContact CG-CB 4Å; F343-P481 HydrophobicContact CG-CG 3.7Å; F343-P481 HydrophobicContact CZ-CG 4.33Å; A345-P481 CarbonylContact C-O 3.6Å; A345-P481 WeakPolarHBondContact CA-O 3.5Å; A345-P481 HydrophobicContact CB-CB 4.31Å; I346-P481 PolarHBondContact N-O 3.3Å; P481-I496 HydrophobicContact CG-CB 4.07Å; P481-I496 HydrophobicContact CG-CG2 3.88Å; P481-Y499 HydrophobicContact CB-CD2 4Å; P481-Y499 HydrophobicContact CB-CE2 3.52Å; P481-Y499 VanDerWaalsContact CD-CD2 3.44Å; P481-Y499 HydrophobicContact CG-CD2 3.82Å; P481-Y499 HydrophobicContact CG-CE2 3.78Å
482I97.3Very high94.9Very high0 Ų021.1 Ų21.10%09%0.093CC..SBendtrans-138.3167.2-175.954.9165000110H254 F255 F343 I346 C480 L485 L493 I496 V540 L544H254-I482 PolarHBondContact NE2-O 2.93Å; F255-I482 WeakPolarHBondContact CE1-O 3.28Å; F343-I482 HydrophobicContact CE1-CG2 4.02Å; F343-I482 HydrophobicContact CZ-CG2 4.16Å; I346-I482 HydrophobicContact CG2-CG2 4.07Å; C480-I482 PolarHBondContact O-N 3.48Å; I482-L485 HydrophobicContact CD1-CD1 3.41Å; I482-L485 VanDerWaalsContact CD1-CD1 3.41Å; I482-L485 HydrophobicContact CD1-CG 4.02Å; I482-L493 HydrophobicContact CD1-CD1 4.03Å; I482-I496 HydrophobicContact CD1-CG2 3.87Å; I482-I496 HydrophobicContact CG1-CG2 4.02Å; I482-V540 HydrophobicContact CG2-CG2 4.47Å; I482-L544 HydrophobicContact CB-CD1 4Å; I482-L544 HydrophobicContact CG2-CD1 3.89Å
483V97.6Very high94.4Very high0 Ų020.5 Ų20.50%09%0.09CC..  trans-97.3-173.2165.3-63.80000111F255 I346 L485 V518 L544 L553 P554 V555F255-V483 VanDerWaalsContact CE1-C 3.45Å; I346-V483 HydrophobicContact CD1-CG1 4.16Å; I346-V483 HydrophobicContact CD1-CG2 4.08Å; V483-L485 PolarHBondContact O-N 3.03Å; V483-V518 HydrophobicContact CB-CG2 4.41Å; V483-V518 HydrophobicContact CG1-CG2 3.85Å; V483-V518 HydrophobicContact CG2-CG2 3.92Å; V483-L544 HydrophobicContact CG2-CD2 3.43Å; V483-L544 VanDerWaalsContact CG2-CD2 3.43Å; V483-L553 HydrophobicContact CB-CB 4.28Å; V483-L553 HydrophobicContact CB-CD1 4.4Å; V483-L553 HydrophobicContact CG2-CB 4.14Å; V483-L553 HydrophobicContact CG2-CD1 3.73Å; V483-P554 WeakPolarHBondContact CG1-O 3.48Å; V483-V555 HydrophobicContact CG1-CG2 3.87Å
484A97.6Very high93.8Very high1 Ų121.2 Ų21.21%0.0089%0.093CC..  trans-56.6126.3-17700000112.7R219 T220 F255 L553R219-A484 HydrophobicContact CB-CB 3.94Å; T220-A484 WeakPolarHBondContact O-CB 3.39Å; F255-A484 HydrophobicContact CB-CB 4.08Å; F255-A484 HydrophobicContact CD1-CB 4.46Å; F255-A484 HydrophobicContact CD2-CB 4.27Å; F255-A484 HydrophobicContact CG-CB 4.04Å; A484-L553 HydrophobicContact CB-CD1 4.31Å; A484-L553 HydrophobicContact CB-CD2 3.93Å; A484-L553 WeakPolarHBondContact O-CD1 3.22Å
485L96.1Very high93.4Very high0 Ų021.9 Ų21.90%010%0.097CC..  trans-110165.1174.8-68.7177.2000110.6T220 I482 V483 D487 V489 M490 L493 Y543 L544T220-L485 WeakPolarHBondContact CB-O 3.27Å; T220-L485 WeakPolarHBondContact CG2-O 3.34Å; T220-L485 PolarHBondContact N-O 2.87Å; I482-L485 HydrophobicContact CD1-CD1 3.41Å; I482-L485 VanDerWaalsContact CD1-CD1 3.41Å; I482-L485 HydrophobicContact CD1-CG 4.02Å; V483-L485 PolarHBondContact O-N 3.03Å; L485-D487 PolarHBondContact O-N 3.49Å; L485-V489 HydrophobicContact CB-CB 4.44Å; L485-V489 HydrophobicContact CD1-CG1 4.08Å; L485-M490 HydrophobicContact CB-SD 3.9Å; L485-M490 HydrophobicContact CD1-SD 4.27Å; L485-L493 HydrophobicContact CD1-CD1 3.15Å; L485-Y543 VanDerWaalsContact CD2-CB 3.49Å; L485-Y543 HydrophobicContact CD2-CG 4.42Å; L485-L544 HydrophobicContact CD2-CD1 3.88Å; L485-L544 HydrophobicContact CD2-CD2 3.76Å; L485-L544 HydrophobicContact CD2-CG 3.65Å
486P94.9Very high93.1Very high13 Ų1321.9 Ų21.98%0.08410%0.097CC..  trans-58.9139.8171.5-24.235.5000111.6K488 V489 Y543P486-K488 HydrophobicContact CB-CG 4.42Å; P486-K488 PolarHBondContact O-N 2.82Å; P486-V489 HydrophobicContact CB-CG2 4.22Å; P486-V489 HydrophobicContact CG-CG2 4.48Å; P486-V489 VanDerWaalsContact O-CB 3.3Å; P486-V489 WeakPolarHBondContact O-CB 3.37Å; P486-V489 PolarHBondContact O-N 2.9Å; P486-Y543 HydrophobicContact CG-CD1 3.65Å; P486-Y543 HydrophobicContact CG-CE1 3.71Å; P486-Y543 HydrophobicContact CG-CG 4.36Å
487D90.4Very high92.9Very high20 Ų2023 Ų2311%0.10710%0.104CC..THydrogen-bonded Turntrans-53.7-36.4-172.9-69.3-92000114A202 R210 T220 L485 V489 M490 P491A202-D487 HydrophobicContact CB-CB 4.18Å; A202-D487 WeakPolarHBondContact CB-OD1 3.18Å; R210-D487 IonicContact CZ-OD2 3.22Å; R210-D487 VanDerWaalsContact CZ-OD2 3.22Å; R210-D487 IonicContact NE-OD1 3.95Å; R210-D487 IonicContact NE-OD2 2.72Å; R210-D487 PolarHBondContact NE-OD2 3.08Å; R210-D487 IonicContact NH2-OD2 2.87Å; R210-D487 PolarHBondContact NH2-OD2 3.04Å; T220-D487 WeakPolarHBondContact CA-OD2 3.46Å; T220-D487 WeakPolarHBondContact CB-OD1 3.47Å; T220-D487 PolarHBondContact OG1-OD1 3.42Å; L485-D487 PolarHBondContact O-N 3.49Å; D487-V489 PolarHBondContact O-N 3.22Å; D487-V489 VanDerWaalsContact O-N 3.11Å; D487-M490 PolarHBondContact O-N 3.11Å; D487-P491 WeakPolarHBondContact O-CD 3.5Å
488K88.2Confident92.8Very high150 Ų15023 Ų2365%0.65211%0.105SC*.THydrogen-bonded Turntrans-62.9-17.4178.368-175.1177-170.20114.2P486P486-K488 HydrophobicContact CB-CG 4.42Å; P486-K488 PolarHBondContact O-N 2.82Å
489V91.2Very high92.8Very high8 Ų823 Ų235%0.04810%0.104CC..THydrogen-bonded Turntrans-90-37.6-178.2-175.90000110.9L485 P486 D487 R492 L493 V539 Y543L485-V489 HydrophobicContact CB-CB 4.44Å; L485-V489 HydrophobicContact CD1-CG1 4.08Å; P486-V489 HydrophobicContact CB-CG2 4.22Å; P486-V489 HydrophobicContact CG-CG2 4.48Å; P486-V489 VanDerWaalsContact O-CB 3.3Å; P486-V489 WeakPolarHBondContact O-CB 3.37Å; P486-V489 PolarHBondContact O-N 2.9Å; D487-V489 PolarHBondContact O-N 3.22Å; D487-V489 VanDerWaalsContact O-N 3.11Å; V489-R492 WeakPolarHBondContact O-CB 3.41Å; V489-R492 PolarHBondContact O-N 3.3Å; V489-L493 HydrophobicContact CG1-CD1 3.75Å; V489-L493 HydrophobicContact CG1-CG 4.32Å; V489-V539 HydrophobicContact CG1-CG1 3.3Å; V489-Y543 HydrophobicContact CG2-CD2 3.96Å; V489-Y543 HydrophobicContact CG2-CE2 3.51Å
490M88.6Confident92.7Very high2 Ų223 Ų231%0.0110%0.104CC..G310 helixtrans-53.7-39.3-173.3-70.9-45.5-54.500115.6Y201 A202 T220 F255 L485 D487 R492 L493 I496Y201-M490 HydrophobicContact CD2-CE 4.43Å; Y201-M490 HydrophobicContact CG-CE 4.43Å; A202-M490 HydrophobicContact CB-CB 4.28Å; T220-M490 HydrophobicContact CG2-CG 3.75Å; T220-M490 HydrophobicContact CG2-SD 4.26Å; F255-M490 HydrophobicContact CE2-CE 4.46Å; L485-M490 HydrophobicContact CB-SD 3.9Å; L485-M490 HydrophobicContact CD1-SD 4.27Å; D487-M490 PolarHBondContact O-N 3.11Å; M490-R492 PolarHBondContact O-N 2.88Å; M490-L493 PolarHBondContact O-N 3.06Å; M490-I496 HydrophobicContact CE-CD1 3.6Å
491P84Confident92.7Very high10 Ų1023.2 Ų23.27%0.06511%0.106CC..G310 helixtrans-57.8-25177.7-2837000113.7S406 L409 D487S406-P491 WeakPolarHBondContact O-CB 3.27Å; S406-P491 VanDerWaalsContact O-CG 3.3Å; S406-P491 WeakPolarHBondContact O-CG 3.4Å; L409-P491 WeakPolarHBondContact CD2-O 3.3Å; D487-P491 WeakPolarHBondContact O-CD 3.5Å
492R83.3Confident92.7Very high189 Ų18923.2 Ų23.271%0.71311%0.106SC*.G310 helixtrans-88.6-8.2-178.1-57.8-180179.6175.7-0.9113.4L409 V489 M490L409-R492 HydrophobicContact CD2-CG 4.42Å; V489-R492 WeakPolarHBondContact O-CB 3.41Å; V489-R492 PolarHBondContact O-N 3.3Å; M490-R492 PolarHBondContact O-N 2.88Å
493L87.7Confident92.7Very high1 Ų123.2 Ų23.21%0.00511%0.106CC..  trans-110.836.9-173.6-67.2175.5000112.1F343 I482 L485 V489 M490 S495 I496 I536 V539F343-L493 HydrophobicContact CE2-CD2 4.46Å; I482-L493 HydrophobicContact CD1-CD1 4.03Å; L485-L493 HydrophobicContact CD1-CD1 3.15Å; V489-L493 HydrophobicContact CG1-CD1 3.75Å; V489-L493 HydrophobicContact CG1-CG 4.32Å; M490-L493 PolarHBondContact O-N 3.06Å; L493-S495 PolarHBondContact O-N 2.72Å; L493-I496 HydrophobicContact CB-CG2 4.22Å; L493-I496 WeakPolarHBondContact O-CG1 3.46Å; L493-I496 WeakPolarHBondContact O-CG2 3.48Å; L493-I496 PolarHBondContact O-N 2.87Å; L493-I536 HydrophobicContact CD2-CB 4.43Å; L493-I536 HydrophobicContact CD2-CD1 4.03Å; L493-I536 HydrophobicContact CD2-CG1 3.87Å; L493-I536 HydrophobicContact CD2-CG2 3.9Å; L493-V539 HydrophobicContact CD1-CG1 4.36Å
494M86.3Confident92.7Very high51 Ų5123.4 Ų23.425%0.25111%0.107SC..G310 helixtrans-56.4-17.3177.3-68.6-63.9174.300113.7I496 V497M494-I496 PolarHBondContact O-N 2.84Å; M494-V497 WeakPolarHBondContact O-CG1 3.47Å; M494-V497 WeakPolarHBondContact O-CG2 3.28Å; M494-V497 PolarHBondContact O-N 2.76Å
495S90.3Very high92.6Very high13 Ų1323.4 Ų23.49%0.09111%0.107CC..G310 helixtrans-67.4-16.3174.849.90000114.5F343 L493 V497 S498 I536F343-S495 VanDerWaalsContact CD2-OG 3.25Å; F343-S495 WeakPolarHBondContact CD2-OG 3.48Å; F343-S495 VanDerWaalsContact CE2-OG 3.28Å; F343-S495 WeakPolarHBondContact CE2-OG 3.4Å; L493-S495 PolarHBondContact O-N 2.72Å; S495-V497 PolarHBondContact O-N 2.87Å; S495-V497 VanDerWaalsContact O-N 3.1Å; S495-S498 PolarHBondContact O-N 3.4Å; S495-S498 PolarHBondContact O-OG 3.35Å; S495-I536 WeakPolarHBondContact OG-CD1 3.42Å
496I93.7Very high92.6Very high0 Ų024 Ų240%011%0.11CC..G310 helixtrans-63.4-16.9177.268.8164.2000113.1Y201 F343 P481 I482 M490 L493 M494 S498 Y499 P500Y201-I496 HydrophobicContact CD2-CD1 3.59Å; Y201-I496 HydrophobicContact CD2-CG1 3.93Å; Y201-I496 HydrophobicContact CE2-CD1 3.72Å; Y201-I496 HydrophobicContact CE2-CG1 3.66Å; Y201-I496 HydrophobicContact CG-CD1 4.01Å; F343-I496 HydrophobicContact CD2-CG2 4.3Å; F343-I496 HydrophobicContact CE2-CG2 3.82Å; F343-I496 HydrophobicContact CZ-CG2 4.25Å; P481-I496 HydrophobicContact CG-CB 4.07Å; P481-I496 HydrophobicContact CG-CG2 3.88Å; I482-I496 HydrophobicContact CD1-CG2 3.87Å; I482-I496 HydrophobicContact CG1-CG2 4.02Å; M490-I496 HydrophobicContact CE-CD1 3.6Å; L493-I496 HydrophobicContact CB-CG2 4.22Å; L493-I496 WeakPolarHBondContact O-CG1 3.46Å; L493-I496 WeakPolarHBondContact O-CG2 3.48Å; L493-I496 PolarHBondContact O-N 2.87Å; M494-I496 PolarHBondContact O-N 2.84Å; I496-S498 PolarHBondContact O-N 2.91Å; I496-Y499 PolarHBondContact O-N 3.48Å; I496-P500 WeakPolarHBondContact O-CD 3.43Å
497V94Very high92.7Very high24 Ų2424.5 Ų24.515%0.14511%0.112CC..G310 helixtrans-56.3-19.4177.3-61.90000113Y201 V379 M494 S495 Y499 A501Y201-V497 HydrophobicContact CE2-CG1 3.9Å; Y201-V497 WeakPolarHBondContact OH-CG1 3.2Å; V379-V497 HydrophobicContact CG1-CG2 4.24Å; M494-V497 WeakPolarHBondContact O-CG1 3.47Å; M494-V497 WeakPolarHBondContact O-CG2 3.28Å; M494-V497 PolarHBondContact O-N 2.76Å; S495-V497 PolarHBondContact O-N 2.87Å; S495-V497 VanDerWaalsContact O-N 3.1Å; V497-Y499 PolarHBondContact O-N 3.44Å; V497-Y499 VanDerWaalsContact O-N 3.17Å; V497-A501 HydrophobicContact CB-CB 3.85Å; V497-A501 WeakPolarHBondContact O-CA 3.4Å; V497-A501 WeakPolarHBondContact O-CB 3.46Å; V497-A501 PolarHBondContact O-N 3.32Å
498S96.9Very high93.1Very high1 Ų123.8 Ų23.81%0.00711%0.108CC..G310 helixtrans-60.5-24.6-177.865.30000113.9D340 F342 S495 I496 L502D340-S498 WeakPolarHBondContact OD2-CB 3.35Å; D340-S498 PolarHBondContact OD2-OG 2.62Å; F342-S498 VanDerWaalsContact CD1-CB 3.45Å; S495-S498 PolarHBondContact O-N 3.4Å; S495-S498 PolarHBondContact O-OG 3.35Å; I496-S498 PolarHBondContact O-N 2.91Å; S498-L502 WeakPolarHBondContact O-CB 3.29Å
499Y97.6Very high93.6Very high0 Ų016.6 Ų16.60%08%0.077CC..THydrogen-bonded Turntrans-90-64.1175.9-68.7-106.4000112Y337 S339 D340 F343 P478 P481 I496 V497 Y503Y337-Y499 AromaticContact CE2-CD1 3.99Å; Y337-Y499 HydrophobicContact CE2-CD1 3.99Å; Y337-Y499 AromaticContact CE2-CE1 3.74Å; Y337-Y499 HydrophobicContact CE2-CE1 3.74Å; S339-Y499 WeakPolarHBondContact CA-OH 3.27Å; D340-Y499 HydrophobicContact CB-CE1 4.22Å; D340-Y499 HydrophobicContact CB-CE2 4.09Å; D340-Y499 PolarHBondContact N-OH 2.96Å; D340-Y499 VanDerWaalsContact N-OH 3.13Å; D340-Y499 PolarHBondContact OD1-OH 3.39Å; D340-Y499 WeakPolarHBondContact OD2-CD2 3.23Å; D340-Y499 WeakPolarHBondContact OD2-CE2 3.45Å; F343-Y499 HydrophobicContact CB-CE2 4.28Å; F343-Y499 VanDerWaalsContact O-CE2 3.29Å; F343-Y499 WeakPolarHBondContact O-CE2 3.48Å; F343-Y499 PolarHBondContact O-OH 2.99Å; P478-Y499 HydrophobicContact CB-CD1 3.79Å; P478-Y499 HydrophobicContact CB-CE1 3.82Å; P478-Y499 HydrophobicContact CG-CD1 4.15Å; P478-Y499 HydrophobicContact CG-CE1 3.73Å; P478-Y499 WeakPolarHBondContact O-CD1 3.47Å; P481-Y499 HydrophobicContact CB-CD2 4Å; P481-Y499 HydrophobicContact CB-CE2 3.52Å; P481-Y499 VanDerWaalsContact CD-CD2 3.44Å; P481-Y499 HydrophobicContact CG-CD2 3.82Å; P481-Y499 HydrophobicContact CG-CE2 3.78Å; I496-Y499 PolarHBondContact O-N 3.48Å; V497-Y499 PolarHBondContact O-N 3.44Å; V497-Y499 VanDerWaalsContact O-N 3.17Å; Y499-Y503 WeakPolarHBondContact O-CD2 3.36Å; Y499-Y503 WeakPolarHBondContact O-CE2 3.22Å
500P97.1Very high93.9Very high0 Ų016.2 Ų16.20%08%0.075CC..Hα-helixtrans-76.5-41.1-173.431.4-35.7000112.4R250 V251 I496 L502 Y503 N504R250-P500 VanDerWaalsContact CZ-O 3.24Å; R250-P500 PolarHBondContact NH1-O 3.43Å; R250-P500 PolarHBondContact NH2-O 3.28Å; V251-P500 HydrophobicContact CG2-CB 4.11Å; V251-P500 HydrophobicContact CG2-CG 3.79Å; I496-P500 WeakPolarHBondContact O-CD 3.43Å; P500-L502 VanDerWaalsContact C-N 3.31Å; P500-L502 PolarHBondContact O-N 3.43Å; P500-Y503 PolarHBondContact O-N 3.45Å; P500-N504 PolarHBondContact O-OD1 2.91Å
501A96.5Very high94.4Very high4 Ų416.1 Ų16.13%0.0337%0.074CC..Hα-helixtrans-73.9-24.1-172.600000112.5L382 V497 Y503 N504 L505L382-A501 HydrophobicContact CD1-CB 3.89Å; L382-A501 HydrophobicContact CD2-CB 3.81Å; L382-A501 WeakPolarHBondContact CD2-O 3.24Å; L382-A501 HydrophobicContact CG-CB 4.47Å; V497-A501 HydrophobicContact CB-CB 3.85Å; V497-A501 WeakPolarHBondContact O-CA 3.4Å; V497-A501 WeakPolarHBondContact O-CB 3.46Å; V497-A501 PolarHBondContact O-N 3.32Å; A501-Y503 PolarHBondContact O-N 3.4Å; A501-N504 WeakPolarHBondContact CA-OD1 3.25Å; A501-N504 WeakPolarHBondContact O-CA 3.41Å; A501-N504 WeakPolarHBondContact O-CB 3.45Å; A501-N504 PolarHBondContact O-N 2.56Å; A501-L505 PolarHBondContact O-N 3.24Å
502L97.4Very high95.1Very high0 Ų015.7 Ų15.70%07%0.071CC..Hα-helixtrans-49.1-43.9171.8176.363.2000111.6P372 I375 A378 Y459 F463 S498 P500 N504 L505 L506P372-L502 HydrophobicContact CB-CD2 4.47Å; I375-L502 HydrophobicContact CD1-CD1 4.19Å; I375-L502 HydrophobicContact CD1-CD2 3.54Å; I375-L502 HydrophobicContact CD1-CG 4.47Å; A378-L502 HydrophobicContact CB-CD1 3.84Å; Y459-L502 HydrophobicContact CE1-CD1 3.79Å; Y459-L502 WeakPolarHBondContact OH-CD1 3.13Å; F463-L502 HydrophobicContact CE2-CD2 4.3Å; S498-L502 WeakPolarHBondContact O-CB 3.29Å; P500-L502 VanDerWaalsContact C-N 3.31Å; P500-L502 PolarHBondContact O-N 3.43Å; L502-N504 VanDerWaalsContact C-N 3.3Å; L502-N504 PolarHBondContact O-N 3.31Å; L502-L505 WeakPolarHBondContact O-CB 3.4Å; L502-L505 PolarHBondContact O-N 3.5Å; L502-L505 VanDerWaalsContact O-N 3.17Å; L502-L506 HydrophobicContact CD1-CD1 3.91Å; L502-L506 HydrophobicContact CD1-CG 4.38Å; L502-L506 HydrophobicContact CG-CD1 3.9Å; L502-L506 WeakPolarHBondContact O-CG 3.28Å; L502-L506 PolarHBondContact O-N 3.14Å
503Y97.7Very high95.9Very high0 Ų06.7 Ų6.70%04%0.037CC..Hα-helixtrans-77.3-14.7-179.1-54.1-63.5000113.6Y337 F463 L475 C477 Y499 P500 A501 L506 D507 L508 V560Y337-Y503 VanDerWaalsContact CE1-OH 3.3Å; Y337-Y503 WeakPolarHBondContact CE1-OH 3.43Å; Y337-Y503 PolarHBondContact OH-OH 3.27Å; F463-Y503 HydrophobicContact CZ-CE1 4.25Å; L475-Y503 HydrophobicContact CD2-CE1 4.08Å; L475-Y503 WeakPolarHBondContact CD2-OH 3.19Å; C477-Y503 PolarHBondContact SG-OH 3.13Å; C477-Y503 VanDerWaalsContact SG-OH 3.36Å; Y499-Y503 WeakPolarHBondContact O-CD2 3.36Å; Y499-Y503 WeakPolarHBondContact O-CE2 3.22Å; P500-Y503 PolarHBondContact O-N 3.45Å; A501-Y503 PolarHBondContact O-N 3.4Å; Y503-L506 HydrophobicContact CD1-CD1 4.38Å; Y503-D507 PolarHBondContact O-N 3.48Å; Y503-L508 HydrophobicContact CD1-CB 4.47Å; Y503-L508 HydrophobicContact CD1-CD1 4.2Å; Y503-L508 PolarHBondContact O-N 3.28Å; Y503-V560 HydrophobicContact CD1-CB 4.22Å; Y503-V560 HydrophobicContact CD1-CG1 3.39Å; Y503-V560 HydrophobicContact CD1-CG2 3.87Å; Y503-V560 HydrophobicContact CD2-CG2 3.85Å; Y503-V560 HydrophobicContact CE1-CB 4.15Å; Y503-V560 HydrophobicContact CE1-CG1 3.68Å; Y503-V560 HydrophobicContact CE1-CG2 3.75Å; Y503-V560 HydrophobicContact CE2-CG2 3.75Å; Y503-V560 HydrophobicContact CG-CG1 3.96Å; Y503-V560 HydrophobicContact CG-CG2 3.9Å
504N96.4Very high96.4Very high5 Ų57.5 Ų7.53%0.0274%0.043CC..Hα-helixtrans-77.2-42.1163.7-58.985000111.1D244 V245 G246 G247 R250 K262 M283 P500 A501 L502 L506 D507D244-N504 PolarHBondContact O-ND2 2.86Å; D244-N504 PolarHBondContact OD1-ND2 3.12Å; D244-N504 PolarHBondContact OD1-OD1 3.11Å; V245-N504 VanDerWaalsContact C-CG 3.42Å; V245-N504 VanDerWaalsContact CA-ND2 3.33Å; V245-N504 WeakPolarHBondContact CA-ND2 3.44Å; G246-N504 VanDerWaalsContact CA-OD1 3.28Å; G246-N504 WeakPolarHBondContact CA-OD1 3.48Å; G246-N504 VanDerWaalsContact N-CG 3.34Å; G246-N504 PolarHBondContact N-ND2 3.32Å; G246-N504 PolarHBondContact N-OD1 2.68Å; G247-N504 PolarHBondContact N-OD1 3.44Å; R250-N504 PolarHBondContact NH2-OD1 2.76Å; K262-N504 VanDerWaalsContact CD-ND2 3.33Å; K262-N504 WeakPolarHBondContact CD-ND2 3.16Å; M283-N504 HydrophobicContact CG-CB 3.86Å; M283-N504 HydrophobicContact SD-CB 3.79Å; P500-N504 PolarHBondContact O-OD1 2.91Å; A501-N504 WeakPolarHBondContact CA-OD1 3.25Å; A501-N504 WeakPolarHBondContact O-CA 3.41Å; A501-N504 WeakPolarHBondContact O-CB 3.45Å; A501-N504 PolarHBondContact O-N 2.56Å; L502-N504 VanDerWaalsContact C-N 3.3Å; L502-N504 PolarHBondContact O-N 3.31Å; N504-L506 PolarHBondContact O-N 3.08Å; N504-D507 PolarHBondContact O-N 2.96Å; N504-D507 VanDerWaalsContact O-N 3.1Å
505L96.3Very high96.9Very high0 Ų05.1 Ų5.10%03%0.031CC..Hα-helixtrans-58-38.5176177.665.4000111.3A378 L381 L382 I385 V456 Y459 R460 A501 L502A378-L505 HydrophobicContact CB-CD2 4.2Å; L381-L505 HydrophobicContact CB-CD1 4.5Å; L381-L505 HydrophobicContact CB-CD2 4.28Å; L382-L505 HydrophobicContact CD2-CB 3.7Å; L382-L505 HydrophobicContact CG-CB 4.08Å; L382-L505 HydrophobicContact CG-CD2 4.24Å; I385-L505 HydrophobicContact CD1-CD1 3.26Å; V456-L505 HydrophobicContact CG1-CD1 3.81Å; V456-L505 HydrophobicContact CG2-CD1 4.17Å; Y459-L505 HydrophobicContact CD1-CD2 3.81Å; Y459-L505 HydrophobicContact CE1-CD2 4.03Å; R460-L505 PolarHBondContact NE-O 2.92Å; R460-L505 PolarHBondContact NH2-O 3.24Å; A501-L505 PolarHBondContact O-N 3.24Å; L502-L505 WeakPolarHBondContact O-CB 3.4Å; L502-L505 PolarHBondContact O-N 3.5Å; L502-L505 VanDerWaalsContact O-N 3.17Å
506L96.9Very high97.2Very high13 Ų134.6 Ų4.67%0.0683%0.027CC..THydrogen-bonded Turntrans-86.8-7.3-179.3-61.8166.9000113.4Y459 R460 F463 L502 Y503 N504 L508Y459-L506 HydrophobicContact CD1-CD2 3.98Å; Y459-L506 HydrophobicContact CE1-CD2 3.89Å; Y459-L506 HydrophobicContact CE1-CG 4.46Å; R460-L506 HydrophobicContact CG-CD2 4.03Å; F463-L506 HydrophobicContact CB-CD1 4.44Å; F463-L506 HydrophobicContact CB-CD2 3.71Å; F463-L506 HydrophobicContact CD1-CD1 3.64Å; F463-L506 HydrophobicContact CD1-CD2 4.14Å; F463-L506 HydrophobicContact CD1-CG 4.48Å; F463-L506 HydrophobicContact CD2-CD1 3.51Å; F463-L506 HydrophobicContact CD2-CD2 4.26Å; F463-L506 HydrophobicContact CE1-CD1 3.64Å; F463-L506 HydrophobicContact CE2-CD1 3.53Å; F463-L506 HydrophobicContact CG-CD1 3.58Å; F463-L506 HydrophobicContact CG-CD2 3.78Å; F463-L506 HydrophobicContact CG-CG 4.33Å; F463-L506 HydrophobicContact CZ-CD1 3.6Å; L502-L506 HydrophobicContact CD1-CD1 3.91Å; L502-L506 HydrophobicContact CD1-CG 4.38Å; L502-L506 HydrophobicContact CG-CD1 3.9Å; L502-L506 WeakPolarHBondContact O-CG 3.28Å; L502-L506 PolarHBondContact O-N 3.14Å; Y503-L506 HydrophobicContact CD1-CD1 4.38Å; N504-L506 PolarHBondContact O-N 3.08Å; L506-L508 VanDerWaalsContact C-N 3.28Å; L506-L508 HydrophobicContact CB-CD1 3.9Å; L506-L508 HydrophobicContact CB-CD2 4.46Å; L506-L508 HydrophobicContact CB-CG 3.62Å; L506-L508 HydrophobicContact CD1-CD1 4Å; L506-L508 PolarHBondContact O-N 3.17Å
507D96.6Very high97.4Very high24 Ų245.5 Ų5.513%0.1283%0.033CC..THydrogen-bonded Turntrans49.846.3-171.9-165.324.7000113.5S265 Y503 N504 H563S265-D507 WeakPolarHBondContact CB-OD1 3.41Å; S265-D507 PolarHBondContact N-OD1 3.05Å; S265-D507 PolarHBondContact OG-OD1 2.87Å; S265-D507 PolarHBondContact OG-OD2 3.36Å; Y503-D507 PolarHBondContact O-N 3.48Å; N504-D507 PolarHBondContact O-N 2.96Å; N504-D507 VanDerWaalsContact O-N 3.1Å; D507-H563 PolarHBondContact O-ND1 2.89Å; D507-H563 IonicContact OD2-CE1 3.46Å; D507-H563 PolarHBondContact OD2-CE1 3.42Å; D507-H563 IonicContact OD2-ND1 2.78Å; D507-H563 PolarHBondContact OD2-ND1 3.18Å
508L98.1Very high97.6Very high4 Ų44.5 Ų4.52%0.0213%0.027CC..  trans-99.4135.6179.1-61.6-172.4000109.9K262 F463 Y503 L506 A510 V560 A561 M562 H563K262-L508 WeakPolarHBondContact CE-O 3.39Å; K262-L508 PolarHBondContact NZ-O 2.98Å; F463-L508 HydrophobicContact CD1-CD1 4.38Å; F463-L508 HydrophobicContact CE1-CD1 3.76Å; F463-L508 HydrophobicContact CZ-CD1 4.46Å; Y503-L508 HydrophobicContact CD1-CB 4.47Å; Y503-L508 HydrophobicContact CD1-CD1 4.2Å; Y503-L508 PolarHBondContact O-N 3.28Å; L506-L508 VanDerWaalsContact C-N 3.28Å; L506-L508 HydrophobicContact CB-CD1 3.9Å; L506-L508 HydrophobicContact CB-CD2 4.46Å; L506-L508 HydrophobicContact CB-CG 3.62Å; L506-L508 HydrophobicContact CD1-CD1 4Å; L506-L508 PolarHBondContact O-N 3.17Å; L508-A510 PolarHBondContact O-N 3.27Å; L508-V560 HydrophobicContact CB-CG1 3.82Å; L508-V560 HydrophobicContact CD1-CG1 4.07Å; L508-A561 WeakPolarHBondContact CB-O 3.27Å; L508-M562 HydrophobicContact CD1-SD 4.46Å; L508-M562 HydrophobicContact CD2-CE 4.36Å; L508-M562 HydrophobicContact CD2-SD 3.95Å; L508-H563 HydrophobicContact CD2-CB 4.03Å
509P98.6Very high97.6Very high0 Ų06.9 Ų6.90%04%0.041CC..  trans-60.9136.1171.527.5-33.9000109.6F261 K262 T264 V560 A561 M562 D566F261-P509 HydrophobicContact CE2-CB 4.32Å; F261-P509 HydrophobicContact CZ-CB 4.01Å; K262-P509 WeakPolarHBondContact O-CA 3.4Å; T264-P509 WeakPolarHBondContact OG1-CD 3.39Å; P509-V560 WeakPolarHBondContact O-CA 3.3Å; P509-V560 WeakPolarHBondContact O-CG1 3.5Å; P509-A561 WeakPolarHBondContact CD-O 3.4Å; P509-A561 HydrophobicContact CG-CB 4.27Å; P509-A561 PolarHBondContact O-N 2.8Å; P509-M562 VanDerWaalsContact CD-O 3.31Å; P509-M562 WeakPolarHBondContact CD-O 3.3Å; P509-M562 WeakPolarHBondContact CG-O 3.34Å; P509-D566 HydrophobicContact CB-CB 4.29Å
510A98.8Very high97.6Very high0 Ų014.1 Ų14.10%08%0.075CC..EExtended strand (participates in β ladder)trans-145.9137.8-179.200000110.3K262 L508 Q558 V559 V560K262-A510 WeakPolarHBondContact CA-O 3.41Å; K262-A510 WeakPolarHBondContact CB-O 3.11Å; K262-A510 PolarHBondContact N-O 2.97Å; K262-A510 PolarHBondContact O-N 3.44Å; L508-A510 PolarHBondContact O-N 3.27Å; A510-Q558 HydrophobicContact CB-CG 4.49Å; A510-V559 CarbonylContact C-O 3.02Å; A510-V559 WeakPolarHBondContact CA-O 3.31Å; A510-V560 HydrophobicContact CB-CG2 4.03Å
511G98.8Very high97.6Very high0 Ų018.1 Ų18.10%010%0.096CC..EExtended strand (participates in β ladder)trans-136.8161.217500000112.7G260 Q558 V559 M573G260-G511 CarbonylContact O-C 3.57Å; G260-G511 WeakPolarHBondContact O-CA 3.25Å; G511-Q558 CarbonylContact O-C 3.58Å; G511-Q558 VanDerWaalsContact O-CA 3.29Å; G511-Q558 WeakPolarHBondContact O-CA 3.48Å; G511-V559 PolarHBondContact N-O 3.5Å; G511-V559 PolarHBondContact O-N 3.27Å; G511-M573 VanDerWaalsContact CA-SD 3.59Å
512V98.8Very high97.7Very high0 Ų018 Ų180%010%0.095CC..EExtended strand (participates in β ladder)trans-119.3136.2-176.6170.20000109.6R250 A253 H254 C259 G260 A479 A556 L557 Q558R250-V512 HydrophobicContact CB-CG2 3.54Å; R250-V512 HydrophobicContact CG-CG2 3.76Å; A253-V512 HydrophobicContact CB-CB 4.47Å; A253-V512 HydrophobicContact CB-CG1 4.39Å; H254-V512 HydrophobicContact CB-CG1 4.03Å; C259-V512 WeakPolarHBondContact CA-O 3.16Å; G260-V512 PolarHBondContact N-O 3.27Å; G260-V512 PolarHBondContact O-N 3.44Å; A479-V512 HydrophobicContact CB-CG1 4.23Å; A479-V512 HydrophobicContact CB-CG2 3.57Å; V512-A556 HydrophobicContact CG1-CB 3.23Å; V512-L557 VanDerWaalsContact CA-O 3.28Å; V512-L557 WeakPolarHBondContact CA-O 3.3Å; V512-Q558 HydrophobicContact CG2-CB 4.17Å; V512-Q558 HydrophobicContact CG2-CG 4.49Å
513V98.7Very high97.7Very high0 Ų018.4 Ų18.40%010%0.097CC..EExtended strand (participates in β ladder)trans-126121.1178.3-175.30000108.4V294 C515 A556 L557 M573 V576 E577V294-V513 HydrophobicContact CG2-CG1 4.4Å; V294-V513 HydrophobicContact CG2-CG2 3.91Å; V513-C515 PolarHBondContact O-N 3.03Å; V513-C515 PolarHBondContact O-SG 2.99Å; V513-A556 CarbonylContact O-C 3.52Å; V513-A556 VanDerWaalsContact O-CA 3.24Å; V513-A556 WeakPolarHBondContact O-CA 3.3Å; V513-A556 VanDerWaalsContact O-CB 3.27Å; V513-A556 WeakPolarHBondContact O-CB 3.38Å; V513-L557 PolarHBondContact N-O 2.83Å; V513-L557 PolarHBondContact O-N 3.3Å; V513-M573 HydrophobicContact CG2-CB 3.68Å; V513-M573 HydrophobicContact CG2-CE 3.9Å; V513-M573 HydrophobicContact CG2-CG 3.8Å; V513-V576 HydrophobicContact CB-CG1 4.22Å; V513-V576 HydrophobicContact CG1-CG1 4.14Å; V513-E577 HydrophobicContact CG1-CB 3.86Å
514P98.2Very high97.7Very high19 Ų1923.2 Ų23.212%0.12312%0.118CC..EExtended strand (participates in β ladder)trans-59.9133171.9-21.433.9000110.6I258 C259 F590I258-P514 WeakPolarHBondContact O-CD 3.4Å; I258-P514 VanDerWaalsContact O-CG 3.25Å; I258-P514 WeakPolarHBondContact O-CG 3.44Å; C259-P514 WeakPolarHBondContact SG-CD 3.14Å; P514-F590 HydrophobicContact CB-CE1 4.01Å; P514-F590 HydrophobicContact CB-CE2 3.98Å; P514-F590 HydrophobicContact CB-CZ 3.63Å
515C97.9Very high97.8Very high0 Ų026.3 Ų26.30%013%0.132CC..EExtended strand (participates in β ladder)trans-122.4-50.7-173.9-70.30000112.2V352 V513 V555 L557 W580 T588 F590V352-C515 HydrophobicContact CB-CB 4.45Å; V352-C515 HydrophobicContact CG1-CB 3.52Å; V352-C515 HydrophobicContact CG2-CB 4.05Å; V513-C515 PolarHBondContact O-N 3.03Å; V513-C515 PolarHBondContact O-SG 2.99Å; C515-V555 PolarHBondContact N-O 3.44Å; C515-L557 VanDerWaalsContact SG-CB 3.55Å; C515-W580 HydrophobicContact CB-CD2 3.62Å; C515-W580 VanDerWaalsContact CB-CE2 3.45Å; C515-W580 HydrophobicContact CB-CE3 4.09Å; C515-W580 HydrophobicContact CB-CG 4.02Å; C515-W580 HydrophobicContact CB-CH2 4.22Å; C515-W580 HydrophobicContact CB-CZ2 3.78Å; C515-W580 HydrophobicContact CB-CZ3 4.36Å; C515-W580 WeakPolarHBondContact O-CZ3 3.41Å; C515-W580 VanDerWaalsContact SG-CD1 3.55Å; C515-W580 PolarHBondContact SG-NE1 3.33Å; C515-T588 WeakPolarHBondContact O-CG2 3.29Å; C515-F590 VanDerWaalsContact C-CE2 3.48Å
516S96.3Very high97.9Very high3 Ų326.5 Ų26.52%0.02113%0.133CC..EExtended strand (participates in β ladder)trans-145.9176-174.9178.20000109.9R351 V555 F590R351-S516 PolarHBondContact NH1-OG 2.9Å; R351-S516 PolarHBondContact NH2-OG 3.16Å; S516-V555 PolarHBondContact N-O 2.9Å; S516-V555 VanDerWaalsContact N-O 3.13Å; S516-V555 WeakPolarHBondContact O-CA 3.4Å; S516-V555 WeakPolarHBondContact O-CB 3.49Å; S516-V555 PolarHBondContact O-N 3.32Å; S516-V555 VanDerWaalsContact O-O 3.09Å; S516-F590 VanDerWaalsContact O-CZ 3.23Å; S516-F590 WeakPolarHBondContact O-CZ 3.28Å
517V97.3Very high97.9Very high18 Ų1828.3 Ų28.311%0.10915%0.145CC..EExtended strand (participates in β ladder)trans-104.6165.3162-63.20000111.8R351 G552 L553 D589 F590R351-V517 PolarHBondContact NH2-O 3.13Å; V517-G552 WeakPolarHBondContact CG1-O 3.35Å; V517-L553 CarbonylContact C-O 3.59Å; V517-L553 VanDerWaalsContact CA-O 3.22Å; V517-L553 WeakPolarHBondContact CA-O 3.47Å; V517-D589 VanDerWaalsContact CG1-O 3.29Å; V517-D589 WeakPolarHBondContact CG1-O 3.05Å; V517-D589 HydrophobicContact CG2-CB 4.42Å; V517-F590 HydrophobicContact CG1-CD1 4.35Å; V517-F590 HydrophobicContact CG1-CE1 4.11Å
518V98Very high97.9Very high4 Ų431.7 Ų31.72%0.02416%0.163CC..  trans-64.6135.2168176.30000109.5A348 V483 D522 E523 S550 V551 G552 L553 V555A348-V518 HydrophobicContact CB-CG2 3.97Å; V483-V518 HydrophobicContact CB-CG2 4.41Å; V483-V518 HydrophobicContact CG1-CG2 3.85Å; V483-V518 HydrophobicContact CG2-CG2 3.92Å; V518-D522 HydrophobicContact CG1-CB 4.13Å; V518-E523 HydrophobicContact CG1-CG 4.22Å; V518-S550 VanDerWaalsContact CB-O 3.29Å; V518-S550 WeakPolarHBondContact CB-O 3.39Å; V518-V551 WeakPolarHBondContact O-CA 3.28Å; V518-G552 PolarHBondContact O-N 3.33Å; V518-L553 HydrophobicContact CG2-CB 4.08Å; V518-L553 PolarHBondContact N-O 2.92Å; V518-V555 HydrophobicContact CG2-CG2 3.75Å
519T97.4Very high97.8Very high50 Ų5038.1 Ų38.131%0.30719%0.192SC..  trans-106.6165.3178.166.50000111.5D521 D522 E523T519-D521 PolarHBondContact O-N 2.85Å; T519-D522 WeakPolarHBondContact CB-OD2 3.49Å; T519-D522 PolarHBondContact N-OD2 3.23Å; T519-D522 WeakPolarHBondContact O-CB 3.45Å; T519-D522 PolarHBondContact O-N 3.44Å; T519-D522 PolarHBondContact OG1-N 2.96Å; T519-D522 PolarHBondContact OG1-OD2 3.43Å; T519-E523 PolarHBondContact O-N 3.36Å
520E97.7Very high97.7Very high152 Ų15238.7 Ų38.771%0.7120%0.195SC*.Hα-helixtrans-59.2-35.2173.5-67.2-176.4175.400112.6E523 K524 V551E520-E523 PolarHBondContact O-N 3.01Å; E520-K524 WeakPolarHBondContact O-CB 3.35Å; E520-K524 PolarHBondContact O-N 2.98Å; E520-V551 HydrophobicContact CG-CG1 4.47Å; E520-V551 HydrophobicContact CG-CG2 4.03Å
521D97.8Very high97.4Very high84 Ų8442.8 Ų42.845%0.44922%0.223SC..Hα-helixtrans-67.8-38.4177.2-171.265.8000111.4T519 E523 K524 Q525T519-D521 PolarHBondContact O-N 2.85Å; D521-E523 VanDerWaalsContact C-N 3.34Å; D521-E523 PolarHBondContact O-N 3.32Å; D521-K524 WeakPolarHBondContact O-CB 3.32Å; D521-K524 PolarHBondContact O-N 3.2Å; D521-Q525 WeakPolarHBondContact O-CB 3.15Å; D521-Q525 WeakPolarHBondContact O-CG 3.27Å; D521-Q525 PolarHBondContact O-N 2.61Å; D521-Q525 PolarHBondContact OD2-NE2 3.23Å
522D98Very high97.1Very high3 Ų343.4 Ų43.42%0.01623%0.226CC..Hα-helixtrans-59.8-45.3174.2-60.2-54.3000111.1P347 A348 R351 V518 T519 K524 Q525 V526P347-D522 HydrophobicContact CB-CB 4.4Å; A348-D522 WeakPolarHBondContact CA-OD1 3.45Å; A348-D522 HydrophobicContact CB-CB 3.88Å; A348-D522 PolarHBondContact N-OD1 3.19Å; R351-D522 IonicContact CZ-OD1 2.74Å; R351-D522 IonicContact CZ-OD2 2.73Å; R351-D522 IonicContact NE-OD1 2.63Å; R351-D522 PolarHBondContact NE-OD1 3.49Å; R351-D522 IonicContact NE-OD2 3.44Å; R351-D522 PolarHBondContact NE-OD2 3.47Å; R351-D522 IonicContact NH2-OD1 3.01Å; R351-D522 IonicContact NH2-OD2 2.75Å; R351-D522 PolarHBondContact NH2-OD2 3Å; V518-D522 HydrophobicContact CG1-CB 4.13Å; T519-D522 WeakPolarHBondContact CB-OD2 3.49Å; T519-D522 PolarHBondContact N-OD2 3.23Å; T519-D522 WeakPolarHBondContact O-CB 3.45Å; T519-D522 PolarHBondContact O-N 3.44Å; T519-D522 PolarHBondContact OG1-N 2.96Å; T519-D522 PolarHBondContact OG1-OD2 3.43Å; D522-K524 PolarHBondContact O-N 3.34Å; D522-Q525 PolarHBondContact O-N 2.92Å; D522-V526 WeakPolarHBondContact O-CG2 3.45Å; D522-V526 PolarHBondContact O-N 2.86Å
523E98.1Very high96.6Very high8 Ų846.6 Ų46.64%0.03724%0.243CC..Hα-helixtrans-61.9-42.4176.1-74.3-157.6156.800112.3V518 T519 E520 D521 Q525 V526 T527 G545 Q546 G547 S548 S550 V551V518-E523 HydrophobicContact CG1-CG 4.22Å; T519-E523 PolarHBondContact O-N 3.36Å; E520-E523 PolarHBondContact O-N 3.01Å; D521-E523 VanDerWaalsContact C-N 3.34Å; D521-E523 PolarHBondContact O-N 3.32Å; E523-Q525 VanDerWaalsContact C-N 3.34Å; E523-V526 WeakPolarHBondContact O-CB 3.19Å; E523-V526 PolarHBondContact O-N 3.22Å; E523-T527 PolarHBondContact O-N 2.85Å; E523-T527 PolarHBondContact O-OG1 3.02Å; E523-G545 VanDerWaalsContact CD-O 3.23Å; E523-Q546 PolarHBondContact O-N 3.2Å; E523-Q546 WeakPolarHBondContact OE2-CA 3.37Å; E523-G547 PolarHBondContact OE2-N 3.49Å; E523-S548 PolarHBondContact OE1-OG 3.49Å; E523-S550 VanDerWaalsContact CG-OG 3.24Å; E523-S550 WeakPolarHBondContact CG-OG 3.45Å; E523-S550 WeakPolarHBondContact OE1-CA 3.12Å; E523-S550 WeakPolarHBondContact OE1-CB 3.39Å; E523-S550 PolarHBondContact OE1-N 2.97Å; E523-S550 PolarHBondContact OE1-OG 3.14Å; E523-V551 HydrophobicContact CG-CG2 3.91Å; E523-V551 PolarHBondContact OE1-N 2.92Å
524K98Very high96.2Very high100 Ų10048 Ų4844%0.43526%0.257SS..Hα-helixtrans-61.4-44.3176.6-176.9-176.6177.1-173.40110.9E520 D521 D522 V526 T527 L528E520-K524 WeakPolarHBondContact O-CB 3.35Å; E520-K524 PolarHBondContact O-N 2.98Å; D521-K524 WeakPolarHBondContact O-CB 3.32Å; D521-K524 PolarHBondContact O-N 3.2Å; D522-K524 PolarHBondContact O-N 3.34Å; K524-V526 VanDerWaalsContact C-N 3.3Å; K524-V526 PolarHBondContact O-N 3.24Å; K524-T527 PolarHBondContact O-N 3.38Å; K524-L528 HydrophobicContact CD-CD1 4.39Å; K524-L528 HydrophobicContact CG-CD1 3.73Å; K524-L528 HydrophobicContact CG-CG 4.36Å; K524-L528 WeakPolarHBondContact O-CB 3.31Å; K524-L528 WeakPolarHBondContact O-CG 3.47Å; K524-L528 PolarHBondContact O-N 2.68Å
525Q98.2Very high95.8Very high71 Ų7150.6 Ų50.633%0.33228%0.275SS..Hα-helixtrans-63.3-35.6175.5-71.4-172.543.100111.9P347 D521 D522 E523 H529 Y530P347-Q525 HydrophobicContact CB-CB 3.87Å; P347-Q525 HydrophobicContact CG-CB 3.54Å; D521-Q525 WeakPolarHBondContact O-CB 3.15Å; D521-Q525 WeakPolarHBondContact O-CG 3.27Å; D521-Q525 PolarHBondContact O-N 2.61Å; D521-Q525 PolarHBondContact OD2-NE2 3.23Å; D522-Q525 PolarHBondContact O-N 2.92Å; E523-Q525 VanDerWaalsContact C-N 3.34Å; Q525-H529 WeakPolarHBondContact O-CA 3.48Å; Q525-H529 PolarHBondContact O-N 3.14Å; Q525-Y530 PolarHBondContact O-N 3Å
526V97.9Very high95.5Very high3 Ų351.1 Ų51.12%0.01828%0.277CS..Hα-helixtrans-61.7-45.6172.1172.50000111.7I346 P347 D522 E523 K524 Y530 V540 K541 L544I346-V526 HydrophobicContact CB-CG2 4.31Å; I346-V526 HydrophobicContact CG2-CG2 4.47Å; P347-V526 VanDerWaalsContact CD-CG2 3.48Å; P347-V526 HydrophobicContact CG-CG2 4Å; D522-V526 WeakPolarHBondContact O-CG2 3.45Å; D522-V526 PolarHBondContact O-N 2.86Å; E523-V526 WeakPolarHBondContact O-CB 3.19Å; E523-V526 PolarHBondContact O-N 3.22Å; K524-V526 VanDerWaalsContact C-N 3.3Å; K524-V526 PolarHBondContact O-N 3.24Å; V526-Y530 WeakPolarHBondContact O-CB 3.35Å; V526-V540 HydrophobicContact CG1-CG1 3.92Å; V526-K541 HydrophobicContact CG1-CG 4.45Å; V526-L544 WeakPolarHBondContact CB-O 3.38Å; V526-L544 HydrophobicContact CG1-CB 4.44Å; V526-L544 WeakPolarHBondContact CG1-O 3.38Å; V526-L544 WeakPolarHBondContact CG2-O 3.45Å
527T97.3Very high95.4Very high52 Ų5253.2 Ų53.232%0.31929%0.288SS..Hα-helixtrans-63.1-47.6179.3-63.30000111.7E523 K524 K541 Q546E523-T527 PolarHBondContact O-N 2.85Å; E523-T527 PolarHBondContact O-OG1 3.02Å; K524-T527 PolarHBondContact O-N 3.38Å; T527-K541 PolarHBondContact O-NZ 2.68Å; T527-Q546 WeakPolarHBondContact OG1-CB 3.32Å; T527-Q546 PolarHBondContact OG1-N 3.44Å
528L96.6Very high95.3Very high95 Ų9555.7 Ų55.750%0.49731%0.306SS..Hα-helixtrans-86.5-42.5-169-63.3178.5000113.8K524K524-L528 HydrophobicContact CD-CD1 4.39Å; K524-L528 HydrophobicContact CG-CD1 3.73Å; K524-L528 HydrophobicContact CG-CG 4.36Å; K524-L528 WeakPolarHBondContact O-CB 3.31Å; K524-L528 WeakPolarHBondContact O-CG 3.47Å; K524-L528 PolarHBondContact O-N 2.68Å
529H95.2Very high95.1Very high139 Ų13957 Ų5764%0.64431%0.314SS*.THydrogen-bonded Turntrans-122.5-22.3-162.6-56.7-52.8000114.1Q525 S531Q525-H529 WeakPolarHBondContact O-CA 3.48Å; Q525-H529 PolarHBondContact O-N 3.14Å; H529-S531 PolarHBondContact O-N 3.47Å
530Y96.1Very high95Very high12 Ų1254.6 Ų54.65%0.04730%0.299CS..  trans-65.7131.3179.9-176.6-94.6000111.6F343 E344 I346 Q525 V526 I532 L537 V540 K541F343-Y530 WeakPolarHBondContact CE1-OH 3.44Å; E344-Y530 HydrophobicContact CB-CE2 3.98Å; E344-Y530 HydrophobicContact CG-CD2 4.26Å; E344-Y530 HydrophobicContact CG-CE2 3.76Å; E344-Y530 VanDerWaalsContact O-CE2 3.28Å; E344-Y530 WeakPolarHBondContact O-CE2 3.47Å; E344-Y530 PolarHBondContact O-OH 3.31Å; I346-Y530 HydrophobicContact CG2-CD2 4.49Å; I346-Y530 HydrophobicContact CG2-CE2 4.04Å; Q525-Y530 PolarHBondContact O-N 3Å; V526-Y530 WeakPolarHBondContact O-CB 3.35Å; Y530-I532 HydrophobicContact CE1-CB 4.13Å; Y530-I532 HydrophobicContact CE1-CG2 3.67Å; Y530-L537 HydrophobicContact CD1-CD1 3.87Å; Y530-L537 HydrophobicContact CE1-CD1 4.24Å; Y530-V540 HydrophobicContact CD1-CB 4.34Å; Y530-V540 HydrophobicContact CD1-CG1 3.7Å; Y530-V540 HydrophobicContact CE1-CB 3.83Å; Y530-V540 HydrophobicContact CE1-CG1 3.42Å; Y530-V540 VanDerWaalsContact CE1-CG1 3.42Å; Y530-V540 HydrophobicContact CE1-CG2 4.1Å; Y530-V540 HydrophobicContact CG-CG1 4.46Å; Y530-K541 WeakPolarHBondContact O-CE 3.46Å
531S92.6Very high94.9Very high85 Ų8551 Ų5159%0.59428%0.281SS*.  trans-139.9133.1-176.9-172.80000109.7H529H529-S531 PolarHBondContact O-N 3.47Å
532I93.2Very high94.9Very high13 Ų1355.2 Ų55.27%0.06729%0.291CS..  trans-152.6147.3172.9-168.9174.6000106.9F343 Y530 I536 L537F343-I532 HydrophobicContact CB-CD1 4.43Å; F343-I532 HydrophobicContact CD1-CD1 3.66Å; F343-I532 HydrophobicContact CD2-CD1 4.4Å; F343-I532 HydrophobicContact CE1-CD1 3.94Å; F343-I532 HydrophobicContact CG-CD1 3.9Å; F343-I532 HydrophobicContact CZ-CD1 4.42Å; Y530-I532 HydrophobicContact CE1-CB 4.13Å; Y530-I532 HydrophobicContact CE1-CG2 3.67Å; I532-I536 HydrophobicContact CD1-CG2 4.4Å; I532-I536 HydrophobicContact CG2-CG2 4.33Å; I532-L537 HydrophobicContact CG2-CB 3.79Å; I532-L537 HydrophobicContact CG2-CD1 4.06Å; I532-L537 WeakPolarHBondContact O-CB 3.37Å
533D89.4Confident94.8Very high67 Ų6757.3 Ų57.336%0.35830%0.299SS..SBendtrans-70.4160.3179.560.8-49.8000113R434R434-D533 IonicContact CZ-OD1 3.23Å; R434-D533 VanDerWaalsContact CZ-OD1 3.23Å; R434-D533 IonicContact NH1-OD1 3.36Å; R434-D533 PolarHBondContact NH1-OD1 3.09Å; R434-D533 IonicContact NH1-OD2 2.93Å; R434-D533 VanDerWaalsContact NH2-C 3.34Å; R434-D533 PolarHBondContact NH2-O 2.99Å; R434-D533 IonicContact NH2-OD1 2.68Å; R434-D533 PolarHBondContact NH2-OD1 3.22Å; R434-D533 IonicContact NH2-OD2 3.58Å
534G89.5Confident94.8Very high29 Ų2957 Ų5730%0.29930%0.298SS..SBendtrans70-172.7173.700000115.8L431 I536 L537L431-G534 WeakPolarHBondContact O-CA 3.49Å; G534-I536 PolarHBondContact O-N 3.5Å; G534-L537 PolarHBondContact O-N 2.86Å
535P89.8Confident94.8Very high74 Ų7452.3 Ų52.348%0.48128%0.278SS..THydrogen-bonded Turntrans-68.5-18.6-168.926.3-34.5000114.1L537 S538P535-L537 PolarHBondContact O-N 3Å; P535-S538 PolarHBondContact O-N 2.91Å; P535-S538 PolarHBondContact O-OG 3Å
536I92.2Very high94.7Very high12 Ų1255.1 Ų55.16%0.06229%0.29CS..Hα-helixtrans-59-33.5179.8-67.9178.2000111.6F343 L493 S495 I532 G534 S538 V539 V540F343-I536 HydrophobicContact CE1-CG2 4.41Å; F343-I536 HydrophobicContact CE2-CD1 4.13Å; F343-I536 HydrophobicContact CE2-CG2 3.99Å; F343-I536 HydrophobicContact CZ-CG2 3.64Å; L493-I536 HydrophobicContact CD2-CB 4.43Å; L493-I536 HydrophobicContact CD2-CD1 4.03Å; L493-I536 HydrophobicContact CD2-CG1 3.87Å; L493-I536 HydrophobicContact CD2-CG2 3.9Å; S495-I536 WeakPolarHBondContact OG-CD1 3.42Å; I532-I536 HydrophobicContact CD1-CG2 4.4Å; I532-I536 HydrophobicContact CG2-CG2 4.33Å; G534-I536 PolarHBondContact O-N 3.5Å; I536-S538 VanDerWaalsContact C-N 3.27Å; I536-S538 PolarHBondContact O-N 3.03Å; I536-V539 WeakPolarHBondContact O-CA 3.38Å; I536-V539 WeakPolarHBondContact O-CB 3.37Å; I536-V539 PolarHBondContact O-N 2.84Å; I536-V540 HydrophobicContact CG2-CG2 3.96Å; I536-V540 PolarHBondContact O-N 2.91Å
537L94Very high94.5Very high47 Ų4758.3 Ų58.325%0.24632%0.324CS..Hα-helixtrans-53.3-45.9177.2-179.559.6000112.2Y530 I532 G534 P535 V539 V540 K541Y530-L537 HydrophobicContact CD1-CD1 3.87Å; Y530-L537 HydrophobicContact CE1-CD1 4.24Å; I532-L537 HydrophobicContact CG2-CB 3.79Å; I532-L537 HydrophobicContact CG2-CD1 4.06Å; I532-L537 WeakPolarHBondContact O-CB 3.37Å; G534-L537 PolarHBondContact O-N 2.86Å; P535-L537 PolarHBondContact O-N 3Å; L537-V539 VanDerWaalsContact C-N 3.28Å; L537-V539 PolarHBondContact O-N 3.44Å; L537-V540 PolarHBondContact O-N 2.58Å; L537-K541 HydrophobicContact CD1-CD 4.29Å; L537-K541 HydrophobicContact CD1-CG 4.2Å; L537-K541 WeakPolarHBondContact O-CB 3.49Å; L537-K541 WeakPolarHBondContact O-CG 3.42Å; L537-K541 PolarHBondContact O-N 2.71Å
538S94.1Very high94.5Very high69 Ų6957.1 Ų57.148%0.48332%0.318SS..Hα-helixtrans-65.8-32179.671.70000112.7P535 I536 R542P535-S538 PolarHBondContact O-N 2.91Å; P535-S538 PolarHBondContact O-OG 3Å; I536-S538 VanDerWaalsContact C-N 3.27Å; I536-S538 PolarHBondContact O-N 3.03Å; S538-R542 WeakPolarHBondContact O-CB 3.49Å; S538-R542 PolarHBondContact O-N 2.83Å; S538-R542 VanDerWaalsContact O-N 3.12Å
539V94.3Very high94.4Very high31 Ų3154.7 Ų54.719%0.18832%0.316CS..Hα-helixtrans-71.5-47.8177.2176.40000110.1V489 L493 I536 L537 R542 Y543V489-V539 HydrophobicContact CG1-CG1 3.3Å; L493-V539 HydrophobicContact CD1-CG1 4.36Å; I536-V539 WeakPolarHBondContact O-CA 3.38Å; I536-V539 WeakPolarHBondContact O-CB 3.37Å; I536-V539 PolarHBondContact O-N 2.84Å; L537-V539 VanDerWaalsContact C-N 3.28Å; L537-V539 PolarHBondContact O-N 3.44Å; V539-R542 PolarHBondContact O-N 2.92Å; V539-Y543 HydrophobicContact CG1-CD2 4.02Å; V539-Y543 HydrophobicContact CG1-CE2 4.47Å; V539-Y543 WeakPolarHBondContact O-CD2 3.47Å; V539-Y543 PolarHBondContact O-N 3.32Å; V539-Y543 VanDerWaalsContact O-N 3.09Å
540V95.5Very high94.5Very high0 Ų048.1 Ų48.10%029%0.286CS..Hα-helixtrans-61.3-51.5178.1172.90000110.2I346 I482 V526 Y530 I536 L537 R542 Y543 L544I346-V540 HydrophobicContact CG2-CG1 3.94Å; I482-V540 HydrophobicContact CG2-CG2 4.47Å; V526-V540 HydrophobicContact CG1-CG1 3.92Å; Y530-V540 HydrophobicContact CD1-CB 4.34Å; Y530-V540 HydrophobicContact CD1-CG1 3.7Å; Y530-V540 HydrophobicContact CE1-CB 3.83Å; Y530-V540 HydrophobicContact CE1-CG1 3.42Å; Y530-V540 VanDerWaalsContact CE1-CG1 3.42Å; Y530-V540 HydrophobicContact CE1-CG2 4.1Å; Y530-V540 HydrophobicContact CG-CG1 4.46Å; I536-V540 HydrophobicContact CG2-CG2 3.96Å; I536-V540 PolarHBondContact O-N 2.91Å; L537-V540 PolarHBondContact O-N 2.58Å; V540-R542 VanDerWaalsContact C-N 3.25Å; V540-R542 PolarHBondContact O-N 3.09Å; V540-Y543 PolarHBondContact O-N 2.89Å; V540-L544 HydrophobicContact CG1-CB 4.38Å; V540-L544 HydrophobicContact CG1-CD1 4.21Å; V540-L544 WeakPolarHBondContact O-CA 3.38Å; V540-L544 WeakPolarHBondContact O-CB 3.47Å; V540-L544 PolarHBondContact O-N 3.45Å
541K96.1Very high94.6Very high78 Ų7850.3 Ų50.334%0.33930%0.3SS..Hα-helixtrans-59-35.8178.5-72.5-163.8175-157.20113.1V526 T527 Y530 L537 G545V526-K541 HydrophobicContact CG1-CG 4.45Å; T527-K541 PolarHBondContact O-NZ 2.68Å; Y530-K541 WeakPolarHBondContact O-CE 3.46Å; L537-K541 HydrophobicContact CD1-CD 4.29Å; L537-K541 HydrophobicContact CD1-CG 4.2Å; L537-K541 WeakPolarHBondContact O-CB 3.49Å; L537-K541 WeakPolarHBondContact O-CG 3.42Å; L537-K541 PolarHBondContact O-N 2.71Å; K541-G545 WeakPolarHBondContact O-CA 3.37Å; K541-G545 PolarHBondContact O-N 3.4Å
542R96.4Very high94.7Very high172 Ų17247.6 Ų47.665%0.64929%0.285SS*.Hα-helixtrans-69.2-41.5178.7178.5178.9-63.8179.10.1113.1S538 V539 V540S538-R542 WeakPolarHBondContact O-CB 3.49Å; S538-R542 PolarHBondContact O-N 2.83Å; S538-R542 VanDerWaalsContact O-N 3.12Å; V539-R542 PolarHBondContact O-N 2.92Å; V540-R542 VanDerWaalsContact C-N 3.25Å; V540-R542 PolarHBondContact O-N 3.09Å
543Y96.8Very high95Very high46 Ų4647 Ų4718%0.1828%0.282CS..Hα-helixtrans-107.1-8.8-167.6-70.2-65.6000114.8R219 L485 P486 V489 V539 V540 S548R219-Y543 PolarHBondContact NH1-O 3.34Å; L485-Y543 VanDerWaalsContact CD2-CB 3.49Å; L485-Y543 HydrophobicContact CD2-CG 4.42Å; P486-Y543 HydrophobicContact CG-CD1 3.65Å; P486-Y543 HydrophobicContact CG-CE1 3.71Å; P486-Y543 HydrophobicContact CG-CG 4.36Å; V489-Y543 HydrophobicContact CG2-CD2 3.96Å; V489-Y543 HydrophobicContact CG2-CE2 3.51Å; V539-Y543 HydrophobicContact CG1-CD2 4.02Å; V539-Y543 HydrophobicContact CG1-CE2 4.47Å; V539-Y543 WeakPolarHBondContact O-CD2 3.47Å; V539-Y543 PolarHBondContact O-N 3.32Å; V539-Y543 VanDerWaalsContact O-N 3.09Å; V540-Y543 PolarHBondContact O-N 2.89Å; Y543-S548 WeakPolarHBondContact O-CB 3.43Å; Y543-S548 PolarHBondContact O-OG 2.97Å; Y543-S548 VanDerWaalsContact O-OG 3.14Å
544L97.5Very high95.4Very high3 Ų344 Ų442%0.01627%0.266CS..Hα-helixtrans-135.64-179.1-56.7174.6000112.7I346 I482 V483 L485 V526 V540 S548I346-L544 HydrophobicContact CD1-CD1 4.12Å; I346-L544 HydrophobicContact CG2-CD1 4.05Å; I482-L544 HydrophobicContact CB-CD1 4Å; I482-L544 HydrophobicContact CG2-CD1 3.89Å; V483-L544 HydrophobicContact CG2-CD2 3.43Å; V483-L544 VanDerWaalsContact CG2-CD2 3.43Å; L485-L544 HydrophobicContact CD2-CD1 3.88Å; L485-L544 HydrophobicContact CD2-CD2 3.76Å; L485-L544 HydrophobicContact CD2-CG 3.65Å; V526-L544 WeakPolarHBondContact CB-O 3.38Å; V526-L544 HydrophobicContact CG1-CB 4.44Å; V526-L544 WeakPolarHBondContact CG1-O 3.38Å; V526-L544 WeakPolarHBondContact CG2-O 3.45Å; V540-L544 HydrophobicContact CG1-CB 4.38Å; V540-L544 HydrophobicContact CG1-CD1 4.21Å; V540-L544 WeakPolarHBondContact O-CA 3.38Å; V540-L544 WeakPolarHBondContact O-CB 3.47Å; V540-L544 PolarHBondContact O-N 3.45Å; L544-S548 WeakPolarHBondContact CA-OG 3.37Å; L544-S548 PolarHBondContact N-OG 3.48Å
545G97.3Very high95.8Very high1 Ų142.6 Ų42.61%0.0125%0.252CS..SBendtrans-84.3177.9172.400000112.3E523 K541 G547 S548E523-G545 VanDerWaalsContact CD-O 3.23Å; K541-G545 WeakPolarHBondContact O-CA 3.37Å; K541-G545 PolarHBondContact O-N 3.4Å; G545-G547 PolarHBondContact O-N 2.96Å; G545-S548 WeakPolarHBondContact O-CB 3.04Å; G545-S548 PolarHBondContact O-N 2.92Å; G545-S548 PolarHBondContact O-OG 3.44Å
546Q96.9Very high96.2Very high129 Ų12939.1 Ų39.160%0.60323%0.23SC*.THydrogen-bonded Turntrans-52.1125.7179.6-166.9174.62.800112.8E523 T527 S548E523-Q546 PolarHBondContact O-N 3.2Å; E523-Q546 WeakPolarHBondContact OE2-CA 3.37Å; T527-Q546 WeakPolarHBondContact OG1-CB 3.32Å; T527-Q546 PolarHBondContact OG1-N 3.44Å; Q546-S548 VanDerWaalsContact C-N 3.27Å; Q546-S548 PolarHBondContact O-N 3.42Å
547G94.9Very high96.5Very high71 Ų7138.6 Ų38.673%0.73223%0.227SC*.THydrogen-bonded Turntrans77.412.1179.800000113.7E523 G545 G549E523-G547 PolarHBondContact OE2-N 3.49Å; G545-G547 PolarHBondContact O-N 2.96Å; G547-G549 PolarHBondContact O-N 3.04Å
548S96.1Very high96.8Very high26 Ų2636.3 Ų36.318%0.18222%0.215CC..SBendtrans-75.7-14.2177.471.80000113.3R219 E523 Y543 L544 G545 Q546 S550R219-S548 PolarHBondContact NH2-O 3.23Å; E523-S548 PolarHBondContact OE1-OG 3.49Å; Y543-S548 WeakPolarHBondContact O-CB 3.43Å; Y543-S548 PolarHBondContact O-OG 2.97Å; Y543-S548 VanDerWaalsContact O-OG 3.14Å; L544-S548 WeakPolarHBondContact CA-OG 3.37Å; L544-S548 PolarHBondContact N-OG 3.48Å; G545-S548 WeakPolarHBondContact O-CB 3.04Å; G545-S548 PolarHBondContact O-N 2.92Å; G545-S548 PolarHBondContact O-OG 3.44Å; Q546-S548 VanDerWaalsContact C-N 3.27Å; Q546-S548 PolarHBondContact O-N 3.42Å; S548-S550 WeakPolarHBondContact OG-CB 3.24Å; S548-S550 PolarHBondContact OG-N 3.19Å; S548-S550 PolarHBondContact OG-OG 3.29Å
549G95.3Very high97Very high44 Ų4433 Ų3345%0.45419%0.192SC..SBendtrans76.431.7-17300000112.3R219 G547R219-G549 PolarHBondContact NH2-O 3.42Å; G547-G549 PolarHBondContact O-N 3.04Å
550S96.9Very high97.2Very high1 Ų131.6 Ų31.61%0.00718%0.184CC..  trans-94.8-18175.770.90000113.2V518 E523 S548 G552 L553V518-S550 VanDerWaalsContact CB-O 3.29Å; V518-S550 WeakPolarHBondContact CB-O 3.39Å; E523-S550 VanDerWaalsContact CG-OG 3.24Å; E523-S550 WeakPolarHBondContact CG-OG 3.45Å; E523-S550 WeakPolarHBondContact OE1-CA 3.12Å; E523-S550 WeakPolarHBondContact OE1-CB 3.39Å; E523-S550 PolarHBondContact OE1-N 2.97Å; E523-S550 PolarHBondContact OE1-OG 3.14Å; S548-S550 WeakPolarHBondContact OG-CB 3.24Å; S548-S550 PolarHBondContact OG-N 3.19Å; S548-S550 PolarHBondContact OG-OG 3.29Å; S550-G552 PolarHBondContact O-N 3.35Å; S550-L553 WeakPolarHBondContact O-CB 3.49Å; S550-L553 WeakPolarHBondContact O-CG 3.36Å; S550-L553 PolarHBondContact O-N 2.96Å
551V97.3Very high97.4Very high58 Ų5831.6 Ų31.635%0.35218%0.184SC..THydrogen-bonded Turntrans-50.8133.3170.8-179.30000110.3H216 V518 E520 E523 L553H216-V551 PolarHBondContact NE2-O 3.12Å; V518-V551 WeakPolarHBondContact O-CA 3.28Å; E520-V551 HydrophobicContact CG-CG1 4.47Å; E520-V551 HydrophobicContact CG-CG2 4.03Å; E523-V551 HydrophobicContact CG-CG2 3.91Å; E523-V551 PolarHBondContact OE1-N 2.92Å; V551-L553 VanDerWaalsContact C-N 3.32Å
552G96.4Very high97.4Very high28 Ų2830.2 Ų30.229%0.28918%0.179SC..THydrogen-bonded Turntrans87.5-9.4-176.300000114.6V517 V518 S550V517-G552 WeakPolarHBondContact CG1-O 3.35Å; V518-G552 PolarHBondContact O-N 3.33Å; S550-G552 PolarHBondContact O-N 3.35Å
553L98.1Very high97.4Very high0 Ų026 Ų260%017%0.166CC..  trans-65.7137.7172.5-77.4173000111H216 R219 V483 A484 V517 V518 S550 V551H216-L553 HydrophobicContact CB-CD2 3.92Å; R219-L553 HydrophobicContact CG-CD2 4.38Å; V483-L553 HydrophobicContact CB-CB 4.28Å; V483-L553 HydrophobicContact CB-CD1 4.4Å; V483-L553 HydrophobicContact CG2-CB 4.14Å; V483-L553 HydrophobicContact CG2-CD1 3.73Å; A484-L553 HydrophobicContact CB-CD1 4.31Å; A484-L553 HydrophobicContact CB-CD2 3.93Å; A484-L553 WeakPolarHBondContact O-CD1 3.22Å; V517-L553 CarbonylContact C-O 3.59Å; V517-L553 VanDerWaalsContact CA-O 3.22Å; V517-L553 WeakPolarHBondContact CA-O 3.47Å; V518-L553 HydrophobicContact CG2-CB 4.08Å; V518-L553 PolarHBondContact N-O 2.92Å; S550-L553 WeakPolarHBondContact O-CB 3.49Å; S550-L553 WeakPolarHBondContact O-CG 3.36Å; S550-L553 PolarHBondContact O-N 2.96Å; V551-L553 VanDerWaalsContact C-N 3.32Å
554P98.1Very high97.4Very high4 Ų425.2 Ų25.23%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-59.7145177.1-26.636.4000113.7F255 G257 V483 F590F255-P554 WeakPolarHBondContact O-CD 3.41Å; F255-P554 WeakPolarHBondContact O-CG 3.34Å; G257-P554 VanDerWaalsContact CA-CB 3.41Å; V483-P554 WeakPolarHBondContact CG1-O 3.48Å; P554-F590 HydrophobicContact CB-CE1 4.05Å
555V98.3Very high97.4Very high0 Ų030.1 Ų30.10%019%0.188CC..EExtended strand (participates in β ladder)trans-132.6120174.7-168.10000108.5A348 V352 V483 C515 S516 V518A348-V555 HydrophobicContact CB-CG2 3.93Å; V352-V555 HydrophobicContact CB-CG1 4.19Å; V352-V555 HydrophobicContact CG2-CB 3.98Å; V352-V555 HydrophobicContact CG2-CG1 3.59Å; V483-V555 HydrophobicContact CG1-CG2 3.87Å; C515-V555 PolarHBondContact N-O 3.44Å; S516-V555 PolarHBondContact N-O 2.9Å; S516-V555 VanDerWaalsContact N-O 3.13Å; S516-V555 WeakPolarHBondContact O-CA 3.4Å; S516-V555 WeakPolarHBondContact O-CB 3.49Å; S516-V555 PolarHBondContact O-N 3.32Å; S516-V555 VanDerWaalsContact O-O 3.09Å; V518-V555 HydrophobicContact CG2-CG2 3.75Å
556A98.5Very high97.4Very high2 Ų230 Ų302%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-116.6151.2-177.100000112.3H254 V512 V513H254-A556 HydrophobicContact CB-CB 4.08Å; H254-A556 PolarHBondContact CE1-N 2.83Å; H254-A556 WeakPolarHBondContact ND1-CB 3.4Å; H254-A556 PolarHBondContact ND1-N 3.49Å; V512-A556 HydrophobicContact CG1-CB 3.23Å; V513-A556 CarbonylContact O-C 3.52Å; V513-A556 VanDerWaalsContact O-CA 3.24Å; V513-A556 WeakPolarHBondContact O-CA 3.3Å; V513-A556 VanDerWaalsContact O-CB 3.27Å; V513-A556 WeakPolarHBondContact O-CB 3.38Å
557L98.4Very high97.5Very high0 Ų023.9 Ų23.90%016%0.159CC..EExtended strand (participates in β ladder)trans-91.3143.1171.7-179.8148.8000109.6V352 I353 S356 I476 V512 V513 C515 V559 V576V352-L557 HydrophobicContact CG1-CB 3.84Å; I353-L557 HydrophobicContact CD1-CB 4.39Å; I353-L557 HydrophobicContact CD1-CD1 3.83Å; I353-L557 HydrophobicContact CD1-CG 3.83Å; S356-L557 WeakPolarHBondContact OG-CD1 3.38Å; I476-L557 HydrophobicContact CB-CD1 4.08Å; I476-L557 HydrophobicContact CB-CD2 4.07Å; I476-L557 HydrophobicContact CB-CG 4.32Å; I476-L557 HydrophobicContact CD1-CD1 4.28Å; I476-L557 HydrophobicContact CG2-CD1 4.34Å; I476-L557 HydrophobicContact CG2-CD2 3.88Å; V512-L557 VanDerWaalsContact CA-O 3.28Å; V512-L557 WeakPolarHBondContact CA-O 3.3Å; V513-L557 PolarHBondContact N-O 2.83Å; V513-L557 PolarHBondContact O-N 3.3Å; C515-L557 VanDerWaalsContact SG-CB 3.55Å; L557-V559 HydrophobicContact CD2-CG2 3.43Å; L557-V559 VanDerWaalsContact CD2-CG2 3.43Å; L557-V576 HydrophobicContact CD2-CG1 4.35Å; L557-V576 HydrophobicContact CD2-CG2 4.41Å
558Q98.9Very high97.7Very high0 Ų020.7 Ų20.70%013%0.125CC..EExtended strand (participates in β ladder)trans-103.3126.8169174.9173.1-116.400111.1I476 C477 P478 A479 A510 G511 V512 V560I476-Q558 WeakPolarHBondContact CA-O 3.47Å; C477-Q558 PolarHBondContact N-O 3.47Å; C477-Q558 WeakPolarHBondContact O-CA 3.4Å; C477-Q558 WeakPolarHBondContact O-CB 3.48Å; C477-Q558 PolarHBondContact O-N 3.47Å; C477-Q558 PolarHBondContact SG-NE2 2.9Å; C477-Q558 VanDerWaalsContact SG-NE2 3.36Å; P478-Q558 PolarHBondContact O-NE2 3.46Å; A479-Q558 HydrophobicContact CB-CB 3.95Å; A510-Q558 HydrophobicContact CB-CG 4.49Å; G511-Q558 CarbonylContact O-C 3.58Å; G511-Q558 VanDerWaalsContact O-CA 3.29Å; G511-Q558 WeakPolarHBondContact O-CA 3.48Å; V512-Q558 HydrophobicContact CG2-CB 4.17Å; V512-Q558 HydrophobicContact CG2-CG 4.49Å; Q558-V560 HydrophobicContact CG-CG2 3.94Å
559V98.9Very high97.8Very high0 Ų019.4 Ų19.40%012%0.116CC..EExtended strand (participates in β ladder)trans-99.6138.8171-176.40000108.6L475 I476 A510 G511 L557 C569 L572 M573 V576L475-V559 CarbonylContact O-C 3.28Å; L475-V559 WeakPolarHBondContact O-CA 3.33Å; I476-V559 HydrophobicContact CG2-CG2 4.44Å; A510-V559 CarbonylContact C-O 3.02Å; A510-V559 WeakPolarHBondContact CA-O 3.31Å; G511-V559 PolarHBondContact N-O 3.5Å; G511-V559 PolarHBondContact O-N 3.27Å; L557-V559 HydrophobicContact CD2-CG2 3.43Å; L557-V559 VanDerWaalsContact CD2-CG2 3.43Å; V559-C569 PolarHBondContact O-SG 3.08Å; V559-C569 VanDerWaalsContact O-SG 3.35Å; V559-L572 HydrophobicContact CG1-CB 3.91Å; V559-L572 HydrophobicContact CG1-CD2 3.74Å; V559-L572 HydrophobicContact CG1-CG 3.85Å; V559-L572 HydrophobicContact CG2-CG 4.34Å; V559-M573 HydrophobicContact CB-CG 3.73Å; V559-M573 HydrophobicContact CG1-CG 4.26Å; V559-M573 HydrophobicContact CG2-CG 3.69Å; V559-V576 HydrophobicContact CG2-CG2 4.48Å
560V98.9Very high98Very high0 Ų017.3 Ų17.30%010%0.095CC..EExtended strand (participates in β ladder)trans-134.7141.9177.3-171.30000108.6A474 L475 Y503 L508 P509 A510 Q558A474-V560 CarbonylContact C-O 3.54Å; A474-V560 WeakPolarHBondContact CA-O 3.44Å; L475-V560 HydrophobicContact CB-CB 4.28Å; L475-V560 PolarHBondContact N-O 3.36Å; L475-V560 PolarHBondContact O-N 3.49Å; Y503-V560 HydrophobicContact CD1-CB 4.22Å; Y503-V560 HydrophobicContact CD1-CG1 3.39Å; Y503-V560 HydrophobicContact CD1-CG2 3.87Å; Y503-V560 HydrophobicContact CD2-CG2 3.85Å; Y503-V560 HydrophobicContact CE1-CB 4.15Å; Y503-V560 HydrophobicContact CE1-CG1 3.68Å; Y503-V560 HydrophobicContact CE1-CG2 3.75Å; Y503-V560 HydrophobicContact CE2-CG2 3.75Å; Y503-V560 HydrophobicContact CG-CG1 3.96Å; Y503-V560 HydrophobicContact CG-CG2 3.9Å; L508-V560 HydrophobicContact CB-CG1 3.82Å; L508-V560 HydrophobicContact CD1-CG1 4.07Å; P509-V560 WeakPolarHBondContact O-CA 3.3Å; P509-V560 WeakPolarHBondContact O-CG1 3.5Å; A510-V560 HydrophobicContact CB-CG2 4.03Å; Q558-V560 HydrophobicContact CG-CG2 3.94Å
561A98.7Very high98.1Very high0 Ų017.9 Ų17.90%010%0.096CC..EExtended strand (participates in β ladder)trans-126.5171168.500000110.6L508 P509 R565 V568 C569L508-A561 WeakPolarHBondContact CB-O 3.27Å; P509-A561 WeakPolarHBondContact CD-O 3.4Å; P509-A561 HydrophobicContact CG-CB 4.27Å; P509-A561 PolarHBondContact O-N 2.8Å; A561-R565 HydrophobicContact CB-CB 4.01Å; A561-R565 WeakPolarHBondContact CB-O 3.47Å; A561-V568 HydrophobicContact CB-CB 4.18Å; A561-V568 HydrophobicContact CB-CG1 4.38Å; A561-C569 HydrophobicContact CB-CB 3.79Å
562M97.8Very high98.1Very high49 Ų4915.1 Ų15.124%0.2418%0.08CC..SBendtrans-63.6159.4175.2-85.5-60.1-65.200112.6W467 L508 P509 A564 R565W467-M562 HydrophobicContact CD2-CG 4.01Å; W467-M562 HydrophobicContact CD2-SD 3.98Å; W467-M562 HydrophobicContact CE3-SD 4.49Å; W467-M562 HydrophobicContact CG-CG 4.14Å; W467-M562 HydrophobicContact CG-SD 4.02Å; W467-M562 HydrophobicContact CZ2-CG 4.01Å; L508-M562 HydrophobicContact CD1-SD 4.46Å; L508-M562 HydrophobicContact CD2-CE 4.36Å; L508-M562 HydrophobicContact CD2-SD 3.95Å; P509-M562 VanDerWaalsContact CD-O 3.31Å; P509-M562 WeakPolarHBondContact CD-O 3.3Å; P509-M562 WeakPolarHBondContact CG-O 3.34Å; M562-A564 PolarHBondContact O-N 2.84Å; M562-R565 HydrophobicContact CB-CG 4.11Å; M562-R565 WeakPolarHBondContact O-CA 3.46Å; M562-R565 WeakPolarHBondContact O-CB 3.45Å; M562-R565 PolarHBondContact O-N 2.87Å
563H96.1Very high98.2Very high83 Ų8313.8 Ų13.838%0.3847%0.066SC..THydrogen-bonded Turntrans-47.8133.5179.1-177.285.7000111.2T264 D507 L508 R565T264-H563 WeakPolarHBondContact CG2-CE1 3.47Å; T264-H563 WeakPolarHBondContact CG2-ND1 3.48Å; D507-H563 PolarHBondContact O-ND1 2.89Å; D507-H563 IonicContact OD2-CE1 3.46Å; D507-H563 PolarHBondContact OD2-CE1 3.42Å; D507-H563 IonicContact OD2-ND1 2.78Å; D507-H563 PolarHBondContact OD2-ND1 3.18Å; L508-H563 HydrophobicContact CD2-CB 4.03Å; H563-R565 PolarHBondContact O-N 3.27Å
564A95.6Very high98.3Very high31 Ų3114.6 Ų14.626%0.2567%0.071SC..THydrogen-bonded Turntrans60.916.4-17600000115.9T264 M562T264-A564 WeakPolarHBondContact OG1-CA 3.37Å; T264-A564 PolarHBondContact OG1-N 3.2Å; M562-A564 PolarHBondContact O-N 2.84Å
565R97.4Very high98.3Very high105 Ų10516.3 Ų16.340%0.3968%0.079SC..  trans-105.338172-53.6-72.1-97.1178.7-6.3111.6A561 M562 H563 E567 V568 C569A561-R565 HydrophobicContact CB-CB 4.01Å; A561-R565 WeakPolarHBondContact CB-O 3.47Å; M562-R565 HydrophobicContact CB-CG 4.11Å; M562-R565 WeakPolarHBondContact O-CA 3.46Å; M562-R565 WeakPolarHBondContact O-CB 3.45Å; M562-R565 PolarHBondContact O-N 2.87Å; H563-R565 PolarHBondContact O-N 3.27Å; R565-E567 PolarHBondContact O-N 3.27Å; R565-V568 HydrophobicContact CB-CB 4.23Å; R565-V568 HydrophobicContact CB-CG2 4.07Å; R565-V568 WeakPolarHBondContact O-CB 3.2Å; R565-V568 PolarHBondContact O-N 2.73Å; R565-C569 PolarHBondContact O-N 3Å
566D98.6Very high98.3Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-50.4-41.6180-62.9-116.4000112.3F261 P263 T264 R267 P509 V568 C569 L570F261-D566 HydrophobicContact CE1-CB 4.29Å; F261-D566 HydrophobicContact CZ-CB 3.9Å; P263-D566 WeakPolarHBondContact CA-OD1 3.48Å; P263-D566 WeakPolarHBondContact CB-OD1 3.43Å; T264-D566 WeakPolarHBondContact CB-OD2 3.38Å; T264-D566 PolarHBondContact N-OD1 3.39Å; T264-D566 PolarHBondContact OG1-OD2 3.39Å; R267-D566 IonicContact CZ-OD2 3.54Å; R267-D566 IonicContact NH1-OD2 3.58Å; R267-D566 PolarHBondContact NH1-OD2 3.25Å; P509-D566 HydrophobicContact CB-CB 4.29Å; D566-V568 PolarHBondContact O-N 3.12Å; D566-C569 WeakPolarHBondContact O-CB 3.47Å; D566-C569 PolarHBondContact O-N 3.31Å; D566-L570 WeakPolarHBondContact O-CG 3.41Å; D566-L570 PolarHBondContact O-N 3.07Å
567E98.7Very high98.3Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-64.7-34.6178.4-69.184.1172.800113.4R267 F321 Q322 V325 R565 R571R267-E567 IonicContact CZ-OE1 2.96Å; R267-E567 IonicContact CZ-OE2 2.94Å; R267-E567 IonicContact NH1-OE1 3.78Å; R267-E567 IonicContact NH1-OE2 2.67Å; R267-E567 PolarHBondContact NH1-OE2 3.22Å; R267-E567 VanDerWaalsContact NH1-OE2 3.09Å; R267-E567 IonicContact NH2-OE1 3.04Å; R267-E567 PolarHBondContact NH2-OE1 2.93Å; R267-E567 IonicContact NH2-OE2 2.95Å; R267-E567 PolarHBondContact NH2-OE2 2.86Å; F321-E567 WeakPolarHBondContact CA-OE1 3.42Å; F321-E567 HydrophobicContact CD1-CG 4.48Å; F321-E567 HydrophobicContact CD2-CG 4.04Å; F321-E567 HydrophobicContact CE1-CG 4.25Å; F321-E567 HydrophobicContact CE2-CG 3.8Å; F321-E567 HydrophobicContact CG-CG 4.38Å; F321-E567 HydrophobicContact CZ-CG 3.9Å; Q322-E567 HydrophobicContact CB-CG 4.1Å; Q322-E567 PolarHBondContact N-OE1 3.44Å; V325-E567 HydrophobicContact CB-CB 4.05Å; V325-E567 HydrophobicContact CG1-CB 3.84Å; R565-E567 PolarHBondContact O-N 3.27Å; E567-R571 WeakPolarHBondContact O-CB 3.28Å; E567-R571 PolarHBondContact O-N 3.39Å
568V98.6Very high98.3Very high3 Ų323.4 Ų23.42%0.01811%0.111CC..Hα-helixtrans-67.6-41.6174.1179.80000109.8V325 L332 A474 A561 R565 D566 L572V325-V568 HydrophobicContact CG1-CG2 3.49Å; V325-V568 VanDerWaalsContact CG1-CG2 3.49Å; L332-V568 HydrophobicContact CD2-CG1 4.47Å; A474-V568 HydrophobicContact CB-CG1 4.4Å; A561-V568 HydrophobicContact CB-CB 4.18Å; A561-V568 HydrophobicContact CB-CG1 4.38Å; R565-V568 HydrophobicContact CB-CB 4.23Å; R565-V568 HydrophobicContact CB-CG2 4.07Å; R565-V568 WeakPolarHBondContact O-CB 3.2Å; R565-V568 PolarHBondContact O-N 2.73Å; D566-V568 PolarHBondContact O-N 3.12Å; V568-L572 PolarHBondContact O-N 2.93Å
569C98.8Very high98.2Very high0 Ų024.8 Ų24.80%012%0.119CC..Hα-helixtrans-61.1-50.3175.8-169.80000110.8F261 V559 A561 R565 D566 R571 L572 M573F261-C569 HydrophobicContact CE2-CB 4.01Å; V559-C569 PolarHBondContact O-SG 3.08Å; V559-C569 VanDerWaalsContact O-SG 3.35Å; A561-C569 HydrophobicContact CB-CB 3.79Å; R565-C569 PolarHBondContact O-N 3Å; D566-C569 WeakPolarHBondContact O-CB 3.47Å; D566-C569 PolarHBondContact O-N 3.31Å; C569-R571 PolarHBondContact O-N 2.93Å; C569-L572 PolarHBondContact O-N 3.36Å; C569-M573 VanDerWaalsContact O-CG 3.24Å; C569-M573 WeakPolarHBondContact O-CG 3.36Å; C569-M573 PolarHBondContact O-N 3.26Å
570L98.9Very high98.2Very high0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-63.2-41.2179.6-72.6167.2000112.5F261 L297 V298 M301 F321 Y326 D566 L572 M573 T574F261-L570 HydrophobicContact CD1-CD2 4.08Å; F261-L570 HydrophobicContact CD2-CD2 3.89Å; F261-L570 HydrophobicContact CD2-CG 4.38Å; F261-L570 HydrophobicContact CE1-CD1 4.11Å; F261-L570 HydrophobicContact CE1-CD2 4.22Å; F261-L570 HydrophobicContact CE1-CG 4.16Å; F261-L570 HydrophobicContact CE2-CD2 4.05Å; F261-L570 HydrophobicContact CE2-CG 4.02Å; F261-L570 HydrophobicContact CG-CD2 3.93Å; F261-L570 HydrophobicContact CZ-CD1 4.22Å; F261-L570 HydrophobicContact CZ-CD2 4.21Å; F261-L570 HydrophobicContact CZ-CG 3.9Å; L297-L570 HydrophobicContact CB-CD2 4.34Å; V298-L570 HydrophobicContact CG2-CB 4.07Å; V298-L570 HydrophobicContact CG2-CD2 4.16Å; V298-L570 HydrophobicContact CG2-CG 4.49Å; M301-L570 HydrophobicContact CB-CD1 4.03Å; M301-L570 HydrophobicContact CG-CD1 3.97Å; F321-L570 HydrophobicContact CE2-CD1 3.83Å; Y326-L570 HydrophobicContact CD2-CB 4.3Å; Y326-L570 HydrophobicContact CE2-CB 4.3Å; D566-L570 WeakPolarHBondContact O-CG 3.41Å; D566-L570 PolarHBondContact O-N 3.07Å; L570-L572 PolarHBondContact O-N 3.31Å; L570-M573 HydrophobicContact CD2-SD 4.2Å; L570-M573 WeakPolarHBondContact O-CB 3.47Å; L570-M573 PolarHBondContact O-N 2.87Å; L570-T574 PolarHBondContact O-N 3.43Å; L570-T574 PolarHBondContact O-OG1 2.93Å
571R98.6Very high97.9Very high12 Ų1229.5 Ų29.55%0.04515%0.15CC..Hα-helixtrans-56.6-50.4174.2175.5-172.8166.8-160.2-6.9111.2Y326 E328 R330 E567 C569 M573 T574 Q575Y326-R571 HydrophobicContact CD2-CB 4.01Å; Y326-R571 HydrophobicContact CE2-CB 4.37Å; Y326-R571 VanDerWaalsContact O-CD 3.29Å; Y326-R571 WeakPolarHBondContact O-CD 3.19Å; Y326-R571 VanDerWaalsContact O-CG 3.31Å; Y326-R571 WeakPolarHBondContact O-CG 3.31Å; E328-R571 PolarHBondContact O-NE 3.41Å; E328-R571 PolarHBondContact O-NH1 2.82Å; E328-R571 VanDerWaalsContact O-NH1 3.11Å; E328-R571 PolarHBondContact O-NH2 3.33Å; R330-R571 PolarHBondContact O-NH1 3.4Å; R330-R571 PolarHBondContact O-NH2 2.85Å; E567-R571 WeakPolarHBondContact O-CB 3.28Å; E567-R571 PolarHBondContact O-N 3.39Å; C569-R571 PolarHBondContact O-N 2.93Å; R571-M573 VanDerWaalsContact C-N 3.33Å; R571-M573 PolarHBondContact O-N 3.14Å; R571-T574 WeakPolarHBondContact O-CB 3.43Å; R571-T574 PolarHBondContact O-N 2.91Å; R571-Q575 WeakPolarHBondContact O-CG 3.3Å; R571-Q575 PolarHBondContact O-N 2.83Å
572L98.8Very high97.6Very high0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-68-34.3179.8178.157000111.7L332 I334 L360 A474 I476 V559 V568 C569 L570 T574 Q575 V576L332-L572 HydrophobicContact CD1-CB 4.33Å; I334-L572 HydrophobicContact CD1-CD1 3.64Å; I334-L572 HydrophobicContact CD1-CD2 3.82Å; I334-L572 HydrophobicContact CD1-CG 4.43Å; I334-L572 HydrophobicContact CG1-CD2 4.07Å; I334-L572 HydrophobicContact CG2-CD2 4.14Å; L360-L572 HydrophobicContact CD1-CD1 4.24Å; L360-L572 HydrophobicContact CD2-CD1 3.7Å; A474-L572 HydrophobicContact CB-CD2 3.53Å; I476-L572 HydrophobicContact CG2-CD2 4.09Å; V559-L572 HydrophobicContact CG1-CB 3.91Å; V559-L572 HydrophobicContact CG1-CD2 3.74Å; V559-L572 HydrophobicContact CG1-CG 3.85Å; V559-L572 HydrophobicContact CG2-CG 4.34Å; V568-L572 PolarHBondContact O-N 2.93Å; C569-L572 PolarHBondContact O-N 3.36Å; L570-L572 PolarHBondContact O-N 3.31Å; L572-T574 VanDerWaalsContact C-N 3.34Å; L572-T574 PolarHBondContact O-N 2.9Å; L572-Q575 HydrophobicContact CD1-CB 4.49Å; L572-Q575 PolarHBondContact O-N 3.49Å; L572-V576 HydrophobicContact CD1-CG2 4.18Å; L572-V576 HydrophobicContact CG-CG2 4.45Å; L572-V576 VanDerWaalsContact O-CG2 3.3Å; L572-V576 WeakPolarHBondContact O-CG2 3.39Å; L572-V576 PolarHBondContact O-N 3.46Å
573M98.9Very high97.2Very high0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-58.6-45.5171-70.8171.668.700111.8F261 V294 L297 G511 V513 V559 C569 L570 R571 Q575 V576 E577F261-M573 HydrophobicContact CD2-SD 3.82Å; F261-M573 HydrophobicContact CE2-SD 4.33Å; V294-M573 HydrophobicContact CG1-CB 3.76Å; V294-M573 HydrophobicContact CG2-CB 4.02Å; V294-M573 HydrophobicContact CG2-CE 4.32Å; L297-M573 HydrophobicContact CD1-CE 3.79Å; G511-M573 VanDerWaalsContact CA-SD 3.59Å; V513-M573 HydrophobicContact CG2-CB 3.68Å; V513-M573 HydrophobicContact CG2-CE 3.9Å; V513-M573 HydrophobicContact CG2-CG 3.8Å; V559-M573 HydrophobicContact CB-CG 3.73Å; V559-M573 HydrophobicContact CG1-CG 4.26Å; V559-M573 HydrophobicContact CG2-CG 3.69Å; C569-M573 VanDerWaalsContact O-CG 3.24Å; C569-M573 WeakPolarHBondContact O-CG 3.36Å; C569-M573 PolarHBondContact O-N 3.26Å; L570-M573 HydrophobicContact CD2-SD 4.2Å; L570-M573 WeakPolarHBondContact O-CB 3.47Å; L570-M573 PolarHBondContact O-N 2.87Å; R571-M573 VanDerWaalsContact C-N 3.33Å; R571-M573 PolarHBondContact O-N 3.14Å; M573-Q575 VanDerWaalsContact C-N 3.33Å; M573-Q575 PolarHBondContact O-N 3.5Å; M573-V576 PolarHBondContact O-N 3.33Å; M573-E577 WeakPolarHBondContact O-CB 3.44Å; M573-E577 PolarHBondContact O-N 3.49Å
574T98.7Very high96.3Very high18 Ų1836.7 Ų36.711%0.1119%0.192CC..Hα-helixtrans-60.3-43.3176.8-61.10000111.3V294 Y326 L570 R571 L572 E577 Q578V294-T574 WeakPolarHBondContact CG1-OG1 3.27Å; Y326-T574 PolarHBondContact OH-OG1 3.36Å; L570-T574 PolarHBondContact O-N 3.43Å; L570-T574 PolarHBondContact O-OG1 2.93Å; R571-T574 WeakPolarHBondContact O-CB 3.43Å; R571-T574 PolarHBondContact O-N 2.91Å; L572-T574 VanDerWaalsContact C-N 3.34Å; L572-T574 PolarHBondContact O-N 2.9Å; T574-E577 PolarHBondContact O-N 2.81Å; T574-Q578 HydrophobicContact CG2-CG 4.5Å; T574-Q578 WeakPolarHBondContact O-CB 3.37Å; T574-Q578 VanDerWaalsContact O-CG 3.22Å; T574-Q578 WeakPolarHBondContact O-CG 3.31Å; T574-Q578 PolarHBondContact O-N 2.85Å
575Q98.4Very high94.8Very high40 Ų4038.7 Ų38.719%0.18721%0.209CC..Hα-helixtrans-63.9-42.3176.9-68.7177-28.300112H365 R571 L572 M573 Q578 L579H365-Q575 PolarHBondContact CE1-OE1 2.94Å; H365-Q575 PolarHBondContact NE2-OE1 2.79Å; R571-Q575 WeakPolarHBondContact O-CG 3.3Å; R571-Q575 PolarHBondContact O-N 2.83Å; L572-Q575 HydrophobicContact CD1-CB 4.49Å; L572-Q575 PolarHBondContact O-N 3.49Å; M573-Q575 VanDerWaalsContact C-N 3.33Å; M573-Q575 PolarHBondContact O-N 3.5Å; Q575-Q578 PolarHBondContact O-N 3.43Å; Q575-L579 WeakPolarHBondContact O-CB 3.26Å; Q575-L579 VanDerWaalsContact O-CG 3.24Å; Q575-L579 WeakPolarHBondContact O-CG 3.32Å; Q575-L579 PolarHBondContact O-N 3.25Å
576V98.6Very high92.8Very high1 Ų139.2 Ų39.21%0.00623%0.229CC..Hα-helixtrans-62.1-48.6176.3169.80000110.6L360 V513 L557 V559 L572 M573 Q578 L579 W580L360-V576 HydrophobicContact CD1-CG2 4.22Å; L360-V576 HydrophobicContact CD2-CG2 4.38Å; V513-V576 HydrophobicContact CB-CG1 4.22Å; V513-V576 HydrophobicContact CG1-CG1 4.14Å; L557-V576 HydrophobicContact CD2-CG1 4.35Å; L557-V576 HydrophobicContact CD2-CG2 4.41Å; V559-V576 HydrophobicContact CG2-CG2 4.48Å; L572-V576 HydrophobicContact CD1-CG2 4.18Å; L572-V576 HydrophobicContact CG-CG2 4.45Å; L572-V576 VanDerWaalsContact O-CG2 3.3Å; L572-V576 WeakPolarHBondContact O-CG2 3.39Å; L572-V576 PolarHBondContact O-N 3.46Å; M573-V576 PolarHBondContact O-N 3.33Å; V576-Q578 VanDerWaalsContact C-N 3.34Å; V576-Q578 PolarHBondContact O-N 2.95Å; V576-L579 PolarHBondContact O-N 2.94Å; V576-W580 VanDerWaalsContact O-CD1 3.28Å; V576-W580 PolarHBondContact O-N 3.43Å
577E98.3Very high90.7Very high47 Ų4741.2 Ų41.222%0.2224%0.243CC..Hα-helixtrans-56.5-47.9177-179.6177.5-109.400111.4D293 V294 V513 M573 T574 L579 W580 S581D293-E577 WeakPolarHBondContact CA-OE1 3.35Å; V294-E577 WeakPolarHBondContact CB-OE2 3.27Å; V294-E577 HydrophobicContact CG2-CB 3.98Å; V294-E577 HydrophobicContact CG2-CG 4.41Å; V294-E577 PolarHBondContact N-OE1 3.43Å; V294-E577 PolarHBondContact N-OE2 3.29Å; V513-E577 HydrophobicContact CG1-CB 3.86Å; M573-E577 WeakPolarHBondContact O-CB 3.44Å; M573-E577 PolarHBondContact O-N 3.49Å; T574-E577 PolarHBondContact O-N 2.81Å; E577-L579 PolarHBondContact O-N 3.49Å; E577-W580 PolarHBondContact O-N 2.92Å; E577-S581 WeakPolarHBondContact O-CB 3.31Å; E577-S581 PolarHBondContact O-N 3.37Å; E577-S581 PolarHBondContact O-OG 2.88Å
578Q97.8Very high88.6Confident102 Ų10242.3 Ų42.348%0.47725%0.25SC..Hα-helixtrans-60-46178.4-74.2171.1-8.200112.2T574 Q575 V576 S581 Q582T574-Q578 HydrophobicContact CG2-CG 4.5Å; T574-Q578 WeakPolarHBondContact O-CB 3.37Å; T574-Q578 VanDerWaalsContact O-CG 3.22Å; T574-Q578 WeakPolarHBondContact O-CG 3.31Å; T574-Q578 PolarHBondContact O-N 2.85Å; Q575-Q578 PolarHBondContact O-N 3.43Å; V576-Q578 VanDerWaalsContact C-N 3.34Å; V576-Q578 PolarHBondContact O-N 2.95Å; Q578-S581 PolarHBondContact O-N 2.9Å; Q578-S581 PolarHBondContact O-OG 3.35Å; Q578-Q582 WeakPolarHBondContact O-CG 3.46Å; Q578-Q582 PolarHBondContact O-N 3.38Å
579L97.9Very high86.1Confident29 Ų2946.9 Ų46.915%0.15227%0.274CS..Hα-helixtrans-64.3-42.5-179.5-72.7168.1000111.9M359 L360 A363 Q575 V576 E577 Q582M359-L579 HydrophobicContact CB-CB 4.34Å; M359-L579 HydrophobicContact CB-CD1 4.13Å; M359-L579 HydrophobicContact CB-CD2 4.49Å; M359-L579 HydrophobicContact CE-CB 4.41Å; M359-L579 HydrophobicContact SD-CB 4.39Å; L360-L579 HydrophobicContact CD2-CD1 3.65Å; L360-L579 HydrophobicContact CG-CD1 4.06Å; A363-L579 HydrophobicContact CB-CD1 4.3Å; A363-L579 HydrophobicContact CB-CD2 4.28Å; Q575-L579 WeakPolarHBondContact O-CB 3.26Å; Q575-L579 VanDerWaalsContact O-CG 3.24Å; Q575-L579 WeakPolarHBondContact O-CG 3.32Å; Q575-L579 PolarHBondContact O-N 3.25Å; V576-L579 PolarHBondContact O-N 2.94Å; E577-L579 PolarHBondContact O-N 3.49Å; L579-Q582 PolarHBondContact O-N 2.96Å
580W97.4Very high83.9Confident11 Ų1149 Ų494%0.04228%0.283CS..Hα-helixtrans-69.5-35.8176.5-80.195.1000112.4V352 K355 S356 M359 C515 V576 E577 Q582 L583 T588V352-W580 HydrophobicContact CB-CZ2 4.47Å; V352-W580 HydrophobicContact CG1-CZ2 4.18Å; V352-W580 HydrophobicContact CG2-CH2 4.31Å; V352-W580 HydrophobicContact CG2-CZ2 4.44Å; K355-W580 HydrophobicContact CB-CH2 3.86Å; K355-W580 HydrophobicContact CB-CZ2 3.88Å; K355-W580 HydrophobicContact CG-CH2 3.72Å; K355-W580 HydrophobicContact CG-CZ2 3.94Å; K355-W580 HydrophobicContact CG-CZ3 4.45Å; S356-W580 PolarHBondContact OG-NE1 3.07Å; M359-W580 HydrophobicContact CE-CD2 3.67Å; M359-W580 HydrophobicContact CE-CE3 4.41Å; M359-W580 HydrophobicContact CE-CG 3.85Å; M359-W580 HydrophobicContact CE-CZ2 3.85Å; M359-W580 VanDerWaalsContact CE-NE1 3.27Å; C515-W580 HydrophobicContact CB-CD2 3.62Å; C515-W580 VanDerWaalsContact CB-CE2 3.45Å; C515-W580 HydrophobicContact CB-CE3 4.09Å; C515-W580 HydrophobicContact CB-CG 4.02Å; C515-W580 HydrophobicContact CB-CH2 4.22Å; C515-W580 HydrophobicContact CB-CZ2 3.78Å; C515-W580 HydrophobicContact CB-CZ3 4.36Å; C515-W580 WeakPolarHBondContact O-CZ3 3.41Å; C515-W580 VanDerWaalsContact SG-CD1 3.55Å; C515-W580 PolarHBondContact SG-NE1 3.33Å; V576-W580 VanDerWaalsContact O-CD1 3.28Å; V576-W580 PolarHBondContact O-N 3.43Å; E577-W580 PolarHBondContact O-N 2.92Å; W580-Q582 PolarHBondContact O-N 3.48Å; W580-L583 HydrophobicContact CD2-CD1 4.3Å; W580-L583 HydrophobicContact CE3-CD1 3.6Å; W580-L583 HydrophobicContact CZ3-CD1 3.87Å; W580-L583 WeakPolarHBondContact O-CB 3.18Å; W580-L583 PolarHBondContact O-N 3.01Å; W580-L583 VanDerWaalsContact O-N 3.13Å; W580-T588 HydrophobicContact CE3-CG2 3.97Å
581S93.9Very high81Confident89 Ų8956.4 Ų56.462%0.62234%0.335SS*.Hα-helixtrans-66.9-17.3178.2730000114.4E577 Q578 L583E577-S581 WeakPolarHBondContact O-CB 3.31Å; E577-S581 PolarHBondContact O-N 3.37Å; E577-S581 PolarHBondContact O-OG 2.88Å; Q578-S581 PolarHBondContact O-N 2.9Å; Q578-S581 PolarHBondContact O-OG 3.35Å; S581-L583 VanDerWaalsContact C-N 3.35Å
582Q92.3Very high80.2Confident146 Ų14658.6 Ų58.668%0.68235%0.349SS*.THydrogen-bonded Turntrans-82.4-14.7176.6-69.7166.82000112.7Q578 L579 W580Q578-Q582 WeakPolarHBondContact O-CG 3.46Å; Q578-Q582 PolarHBondContact O-N 3.38Å; L579-Q582 PolarHBondContact O-N 2.96Å; W580-Q582 PolarHBondContact O-N 3.48Å
583L89.7Confident79.2Confident47 Ų4761.7 Ų61.725%0.24637%0.367CS..SBendtrans-75.1151.6178.6-59.7179.9000110.6M359 W580 S581 A585 S587 T588M359-L583 HydrophobicContact CE-CD1 4.45Å; M359-L583 HydrophobicContact SD-CD1 3.88Å; M359-L583 HydrophobicContact SD-CD2 4.15Å; M359-L583 HydrophobicContact SD-CG 4.19Å; W580-L583 HydrophobicContact CD2-CD1 4.3Å; W580-L583 HydrophobicContact CE3-CD1 3.6Å; W580-L583 HydrophobicContact CZ3-CD1 3.87Å; W580-L583 WeakPolarHBondContact O-CB 3.18Å; W580-L583 PolarHBondContact O-N 3.01Å; W580-L583 VanDerWaalsContact O-N 3.13Å; S581-L583 VanDerWaalsContact C-N 3.35Å; L583-A585 PolarHBondContact O-N 2.98Å; L583-S587 WeakPolarHBondContact CB-OG 3.35Å; L583-T588 HydrophobicContact CB-CG2 4.3Å
584P77Confident78.1Confident89 Ų8965.1 Ų65.158%0.57839%0.388SS*.  trans-56.1141.5176.1-22.832.7000111.3S586 S587P584-S586 PolarHBondContact O-N 3.22Å; P584-S587 WeakPolarHBondContact O-CB 3.4Å; P584-S587 PolarHBondContact O-N 3.05Å; P584-S587 PolarHBondContact O-OG 3.4Å
585A63.7Low76.9Confident73 Ų7367.9 Ų67.960%0.60340%0.404SS*.G310 helixtrans-53.3-29.4-177.200000114L583 S587 T588 D589L583-A585 PolarHBondContact O-N 2.98Å; A585-S587 PolarHBondContact O-N 3.33Å; A585-T588 CarbonylContact O-C 3.32Å; A585-T588 PolarHBondContact O-N 3.37Å; A585-D589 PolarHBondContact O-N 3.42Å
586S55.9Low75.5Confident117 Ų11769.6 Ų69.682%0.81842%0.418SS*.G310 helixtrans-59.1-12.7173.457.70000114.4P584P584-S586 PolarHBondContact O-N 3.22Å
587S53.9Low74Confident42 Ų4274.2 Ų74.229%0.29445%0.445SS..G310 helixtrans-103-10.317666.60000114.3L583 P584 A585L583-S587 WeakPolarHBondContact CB-OG 3.35Å; P584-S587 WeakPolarHBondContact O-CB 3.4Å; P584-S587 PolarHBondContact O-N 3.05Å; P584-S587 PolarHBondContact O-OG 3.4Å; A585-S587 PolarHBondContact O-N 3.33Å
588T54.1Low72.2Confident23 Ų2376.1 Ų76.114%0.14146%0.461CS..SBendtrans-140.134.3-168.762.70000113.1C515 W580 L583 A585 F590C515-T588 WeakPolarHBondContact O-CG2 3.29Å; W580-T588 HydrophobicContact CE3-CG2 3.97Å; L583-T588 HydrophobicContact CB-CG2 4.3Å; A585-T588 CarbonylContact O-C 3.32Å; A585-T588 PolarHBondContact O-N 3.37Å; T588-F590 VanDerWaalsContact C-N 3.33Å; T588-F590 WeakPolarHBondContact O-CD2 3.47Å; T588-F590 WeakPolarHBondContact O-CG 3.31Å; T588-F590 PolarHBondContact O-N 3.12Å
589D46.4Very low70.3Confident98 Ų9874.2 Ų74.252%0.52446%0.46SS..  trans-56.885.5-168.5-151.910.8000113.5V517 A585V517-D589 VanDerWaalsContact CG1-O 3.29Å; V517-D589 WeakPolarHBondContact CG1-O 3.05Å; V517-D589 HydrophobicContact CG2-CB 4.42Å; A585-D589 PolarHBondContact O-N 3.42Å
590F52.7Low68Low46 Ų4677.9 Ų77.920%0.20249%0.486CS..  trans-119.10.5-179.3-66-59.6000112.2R233 P514 C515 S516 V517 P554 T588R233-F590 PolarHBondContact NH1-O 3.05Å; R233-F590 PolarHBondContact NH2-O 3.48Å; P514-F590 HydrophobicContact CB-CE1 4.01Å; P514-F590 HydrophobicContact CB-CE2 3.98Å; P514-F590 HydrophobicContact CB-CZ 3.63Å; C515-F590 VanDerWaalsContact C-CE2 3.48Å; S516-F590 VanDerWaalsContact O-CZ 3.23Å; S516-F590 WeakPolarHBondContact O-CZ 3.28Å; V517-F590 HydrophobicContact CG1-CD1 4.35Å; V517-F590 HydrophobicContact CG1-CE1 4.11Å; P554-F590 HydrophobicContact CB-CE1 4.05Å; T588-F590 VanDerWaalsContact C-N 3.33Å; T588-F590 WeakPolarHBondContact O-CD2 3.47Å; T588-F590 WeakPolarHBondContact O-CG 3.31Å; T588-F590 PolarHBondContact O-N 3.12Å
591S39Very low65.3Low154 Ų15484 Ų84100%1.07753%0.526SS*.  trans-66.20165.655.90000109.8

Retrieved 591 of 591 residues in 325.5 ms (Link to these results)

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