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Lipoteichoic acid synthase

Catalyzes the polymerization of lipoteichoic acid (LTA) polyglycerol phosphate, a reaction that presumably uses phosphatidylglycerol (PG) as substrate. Is required for staphylococcal growth and cell division process.

AlphaFold DB , UniProt , Accession Q2G093, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene ltaS, Length 646 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
1M40.6Very low73.2Confident241 Ų241115.6 Ų115.6100%1.18758%0.584SS**  0102.90-75.6171.6169.300108.7S3M1-S3 PolarHBondContact O-N 2.97Å
2S47.8Very low75.1Confident114 Ų114108.9 Ų108.980%0.79756%0.559SS**  trans-62.7103.5165.6165.30000106.1Q4S2-Q4 VanDerWaalsContact C-N 3.28Å; S2-Q4 PolarHBondContact O-N 2.81Å
3S49.5Very low76.7Confident89 Ų89100.6 Ų100.662%0.62252%0.517SS*.  trans-57.6102.816864.80000105.1M1 K5M1-S3 PolarHBondContact O-N 2.97Å; S3-K5 PolarHBondContact O-N 2.71Å
4Q52.6Low78.2Confident177 Ų17793.9 Ų93.983%0.82748%0.482SS*.  trans-59.396.1168.3-83.3-175.1-6.800104.8S2 K6S2-Q4 VanDerWaalsContact C-N 3.28Å; S2-Q4 PolarHBondContact O-N 2.81Å; Q4-K6 PolarHBondContact O-N 2.88Å
5K61.2Low79.5Confident162 Ų16292.6 Ų92.670%0.70448%0.476SS*.  trans-56.9111.4177.8-73.7-171.6176.3-173.10104.9S3 K7S3-K5 PolarHBondContact O-N 2.71Å; K5-K7 PolarHBondContact O-N 3.24Å
6K81.5Confident80.6Confident208 Ų20891.6 Ų91.690%0.90447%0.471SS*.  trans-53.7110.7178.9-76.1-175.7178.11790106.5Q4Q4-K6 PolarHBondContact O-N 2.88Å
7K91.8Very high81.7Confident124 Ų12486.2 Ų86.254%0.53944%0.444SS..  trans-68.3145177.2-70.6-175.2179.2-175.40108.6K5 S9 K143 W144 D146K5-K7 PolarHBondContact O-N 3.24Å; K7-S9 PolarHBondContact O-N 2.91Å; K7-K143 VanDerWaalsContact CE-O 3.31Å; K7-K143 WeakPolarHBondContact CE-O 3.36Å; K7-W144 CarbonylContact C-O 3.07Å; K7-W144 WeakPolarHBondContact CA-O 3.31Å; K7-W144 VanDerWaalsContact CB-O 3.29Å; K7-W144 WeakPolarHBondContact CB-O 3.31Å; K7-D146 HydrophobicContact CB-CB 3.84Å
8I93.8Very high82.6Confident43 Ų4381.9 Ų81.922%0.22142%0.422CS..EExtended strand (participates in β ladder)trans-71.7113.5177.2-56.2172.8000107.2A12 F13 W144 L145 D146I8-A12 HydrophobicContact CG2-CB 4.15Å; I8-F13 HydrophobicContact CG2-CB 4.04Å; I8-F13 HydrophobicContact CG2-CD2 4.39Å; I8-W144 PolarHBondContact N-O 2.95Å; I8-L145 HydrophobicContact CB-CD2 4.17Å; I8-D146 PolarHBondContact O-N 2.85Å
9S95.2Very high83.3Confident46 Ų4681.6 Ų81.632%0.32242%0.42SS..EExtended strand (participates in β ladder)trans-70.9159174.571.90000110.9K7 F11 A12 F13K7-S9 PolarHBondContact O-N 2.91Å; S9-F11 PolarHBondContact O-N 3.09Å; S9-A12 PolarHBondContact O-N 2.88Å; S9-A12 VanDerWaalsContact O-N 3.15Å; S9-A12 WeakPolarHBondContact OG-CB 3.47Å; S9-A12 PolarHBondContact OG-N 3.48Å; S9-A12 VanDerWaalsContact OG-N 3.07Å; S9-F13 PolarHBondContact O-N 2.96Å
10L95.2Very high84.1Confident3 Ų379.2 Ų79.22%0.01641%0.409CS..Hα-helixtrans-57.7-37.4175.6-17763.7000112F13 F14 L62 A69 F70 M73L10-F13 PolarHBondContact O-N 2.96Å; L10-F14 WeakPolarHBondContact O-CB 3.29Å; L10-F14 PolarHBondContact O-N 2.79Å; L10-L62 HydrophobicContact CD2-CD2 4.29Å; L10-L62 HydrophobicContact CG-CD2 4.02Å; L10-A69 HydrophobicContact CD1-CB 3.81Å; L10-A69 HydrophobicContact CD2-CB 3.68Å; L10-A69 HydrophobicContact CG-CB 4.41Å; L10-F70 HydrophobicContact CB-CE1 4.49Å; L10-F70 HydrophobicContact CB-CE2 4.33Å; L10-F70 HydrophobicContact CB-CZ 4.03Å; L10-F70 HydrophobicContact CD1-CD1 4.15Å; L10-F70 HydrophobicContact CD1-CD2 4.14Å; L10-F70 HydrophobicContact CD1-CE1 4.23Å; L10-F70 HydrophobicContact CD1-CE2 4.21Å; L10-F70 HydrophobicContact CD1-CG 4.1Å; L10-F70 HydrophobicContact CD1-CZ 4.27Å; L10-M73 HydrophobicContact CD1-CE 4.26Å
11F96Very high84.7Confident65 Ų6575.4 Ų75.429%0.28539%0.39SS..Hα-helixtrans-70.2-38.2176.9-171.7-108.4000112.6S9 F13 F14 L15 L62 F150 V158S9-F11 PolarHBondContact O-N 3.09Å; F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F14 AromaticContact CD2-CD1 3.95Å; F11-F14 HydrophobicContact CD2-CD1 3.95Å; F11-F14 AromaticContact CE2-CD1 3.86Å; F11-F14 HydrophobicContact CE2-CD1 3.86Å; F11-F14 HydrophobicContact CE2-CE1 4.03Å; F11-F14 WeakPolarHBondContact O-CB 3.14Å; F11-F14 PolarHBondContact O-N 3.23Å; F11-L15 HydrophobicContact CD1-CD1 4.01Å; F11-L15 HydrophobicContact CD1-CG 4.4Å; F11-L15 HydrophobicContact CE1-CD1 3.61Å; F11-L15 HydrophobicContact CE1-CD2 4.49Å; F11-L15 HydrophobicContact CE1-CG 4.08Å; F11-L15 HydrophobicContact CZ-CD1 4.2Å; F11-L15 HydrophobicContact CZ-CD2 4.26Å; F11-L15 HydrophobicContact CZ-CG 4.25Å; F11-L15 WeakPolarHBondContact O-CG 3.35Å; F11-L15 PolarHBondContact O-N 2.99Å; F11-L62 HydrophobicContact CD2-CD1 4.08Å; F11-L62 HydrophobicContact CD2-CD2 4.39Å; F11-L62 HydrophobicContact CE2-CD1 4.41Å; F11-F150 HydrophobicContact CB-CD2 3.64Å; F11-F150 HydrophobicContact CB-CE2 3.88Å; F11-F150 HydrophobicContact CB-CG 4.47Å; F11-F150 HydrophobicContact CD1-CE2 4.37Å; F11-F150 AromaticContact CD2-CD2 4Å; F11-F150 HydrophobicContact CD2-CD2 4Å; F11-F150 HydrophobicContact CD2-CE1 4.44Å; F11-F150 AromaticContact CD2-CE2 3.56Å; F11-F150 HydrophobicContact CD2-CE2 3.56Å; F11-F150 AromaticContact CD2-CZ 3.8Å; F11-F150 HydrophobicContact CD2-CZ 3.8Å; F11-F150 HydrophobicContact CE2-CE2 4.18Å; F11-F150 HydrophobicContact CE2-CZ 4.07Å; F11-F150 AromaticContact CG-CD2 3.97Å; F11-F150 HydrophobicContact CG-CD2 3.97Å; F11-F150 AromaticContact CG-CE2 3.67Å; F11-F150 HydrophobicContact CG-CE2 3.67Å; F11-F150 HydrophobicContact CG-CZ 4.36Å; F11-V158 HydrophobicContact CE2-CG2 4.04Å
12A95.5Very high87.4Confident35 Ų3564 Ų6429%0.28933%0.333SS..Hα-helixtrans-64.3-40.4172.700000111.2I8 S9 L15 L16I8-A12 HydrophobicContact CG2-CB 4.15Å; S9-A12 PolarHBondContact O-N 2.88Å; S9-A12 VanDerWaalsContact O-N 3.15Å; S9-A12 WeakPolarHBondContact OG-CB 3.47Å; S9-A12 PolarHBondContact OG-N 3.48Å; S9-A12 VanDerWaalsContact OG-N 3.07Å; A12-L15 PolarHBondContact O-N 3.46Å; A12-L16 WeakPolarHBondContact O-CB 2.96Å; A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.33Å; A12-L16 PolarHBondContact O-N 3.26Å
13F97Very high89.6Confident1 Ų163.2 Ų63.20%0.00432%0.32CS..Hα-helixtrans-63.9-42.4174.8-166.1-103.1000111.8I8 S9 L10 F11 L16 T17 F70 M73 Y134I8-F13 HydrophobicContact CG2-CB 4.04Å; I8-F13 HydrophobicContact CG2-CD2 4.39Å; S9-F13 PolarHBondContact O-N 2.96Å; L10-F13 PolarHBondContact O-N 2.96Å; F11-F13 VanDerWaalsContact C-N 3.33Å; F13-L16 PolarHBondContact O-N 3.09Å; F13-T17 PolarHBondContact O-N 3.47Å; F13-T17 PolarHBondContact O-OG1 3Å; F13-F70 HydrophobicContact CB-CD1 3.91Å; F13-F70 HydrophobicContact CB-CE1 3.74Å; F13-F70 AromaticContact CD1-CD1 3.75Å; F13-F70 HydrophobicContact CD1-CD1 3.75Å; F13-F70 HydrophobicContact CD1-CE1 4.45Å; F13-F70 HydrophobicContact CD2-CD1 4.17Å; F13-F70 HydrophobicContact CE1-CD1 4.31Å; F13-F70 AromaticContact CG-CD1 3.68Å; F13-F70 HydrophobicContact CG-CD1 3.68Å; F13-F70 HydrophobicContact CG-CE1 4.01Å; F13-M73 HydrophobicContact CD1-CB 3.93Å; F13-M73 HydrophobicContact CD1-CG 3.74Å; F13-M73 HydrophobicContact CE1-CB 3.94Å; F13-M73 HydrophobicContact CE1-CG 4Å; F13-Y134 AromaticContact CE2-CD1 3.95Å; F13-Y134 HydrophobicContact CE2-CD1 3.95Å; F13-Y134 HydrophobicContact CE2-CE1 4.46Å; F13-Y134 HydrophobicContact CE2-CG 4.04Å; F13-Y134 HydrophobicContact CZ-CD1 4.37Å; F13-Y134 HydrophobicContact CZ-CD2 4.32Å; F13-Y134 AromaticContact CZ-CG 3.99Å; F13-Y134 HydrophobicContact CZ-CG 3.99Å
14F97.6Very high91.8Very high6 Ų659.8 Ų59.83%0.02629%0.294CS..Hα-helixtrans-54.5-52.4170.6162-99.5000112.3L10 F11 L16 T17 V18 A55 L58 L62 M73 V158L10-F14 WeakPolarHBondContact O-CB 3.29Å; L10-F14 PolarHBondContact O-N 2.79Å; F11-F14 AromaticContact CD2-CD1 3.95Å; F11-F14 HydrophobicContact CD2-CD1 3.95Å; F11-F14 AromaticContact CE2-CD1 3.86Å; F11-F14 HydrophobicContact CE2-CD1 3.86Å; F11-F14 HydrophobicContact CE2-CE1 4.03Å; F11-F14 WeakPolarHBondContact O-CB 3.14Å; F11-F14 PolarHBondContact O-N 3.23Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.13Å; F14-T17 PolarHBondContact O-N 3.21Å; F14-V18 HydrophobicContact CD2-CG2 4.14Å; F14-V18 HydrophobicContact CE1-CG2 4.37Å; F14-V18 HydrophobicContact CE2-CG2 3.76Å; F14-V18 HydrophobicContact CZ-CG2 3.89Å; F14-V18 WeakPolarHBondContact O-CG2 3.49Å; F14-V18 PolarHBondContact O-N 2.86Å; F14-A55 WeakPolarHBondContact CE2-O 3.29Å; F14-A55 HydrophobicContact CZ-CB 4.1Å; F14-L58 HydrophobicContact CD2-CB 3.8Å; F14-L58 HydrophobicContact CE2-CB 3.74Å; F14-L62 HydrophobicContact CB-CD2 3.9Å; F14-L62 HydrophobicContact CD1-CD1 4.33Å; F14-L62 HydrophobicContact CD2-CD1 4.37Å; F14-L62 HydrophobicContact CD2-CG 4.49Å; F14-L62 HydrophobicContact CG-CD1 4.24Å; F14-L62 HydrophobicContact CG-CD2 4.22Å; F14-L62 HydrophobicContact CG-CG 4.47Å; F14-M73 HydrophobicContact CB-CE 3.72Å; F14-M73 HydrophobicContact CB-SD 4.09Å; F14-M73 HydrophobicContact CD2-CE 4.09Å; F14-M73 HydrophobicContact CD2-SD 3.94Å; F14-M73 HydrophobicContact CG-CE 4.37Å; F14-V158 HydrophobicContact CE1-CG1 4.04Å; F14-V158 HydrophobicContact CZ-CG1 3.8Å
15L97.2Very high94Very high75 Ų7551.3 Ų51.339%0.39325%0.254SS..Hα-helixtrans-61.5-42.4179.6-71.2177.4000111.9F11 A12 V18 I19F11-L15 HydrophobicContact CD1-CD1 4.01Å; F11-L15 HydrophobicContact CD1-CG 4.4Å; F11-L15 HydrophobicContact CE1-CD1 3.61Å; F11-L15 HydrophobicContact CE1-CD2 4.49Å; F11-L15 HydrophobicContact CE1-CG 4.08Å; F11-L15 HydrophobicContact CZ-CD1 4.2Å; F11-L15 HydrophobicContact CZ-CD2 4.26Å; F11-L15 HydrophobicContact CZ-CG 4.25Å; F11-L15 WeakPolarHBondContact O-CG 3.35Å; F11-L15 PolarHBondContact O-N 2.99Å; A12-L15 PolarHBondContact O-N 3.46Å; L15-V18 PolarHBondContact O-N 3.15Å; L15-I19 WeakPolarHBondContact O-CB 3.39Å; L15-I19 WeakPolarHBondContact O-CD1 3.34Å; L15-I19 WeakPolarHBondContact O-CG1 3.25Å; L15-I19 PolarHBondContact O-N 2.92Å
16L97.4Very high95.5Very high76 Ų7646.8 Ų46.840%0.39823%0.233SC..Hα-helixtrans-59.8-46.7175.9-74.2169.7000111.3A12 F13 F14 I19 T20 Y134A12-L16 WeakPolarHBondContact O-CB 2.96Å; A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.33Å; A12-L16 PolarHBondContact O-N 3.26Å; F13-L16 PolarHBondContact O-N 3.09Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.13Å; L16-I19 PolarHBondContact O-N 2.94Å; L16-T20 WeakPolarHBondContact O-CG2 3.26Å; L16-T20 PolarHBondContact O-N 3.48Å; L16-T20 PolarHBondContact O-OG1 3.33Å; L16-Y134 VanDerWaalsContact C-OH 3.31Å; L16-Y134 PolarHBondContact O-OH 2.86Å
17T98.4Very high96.1Very high1 Ų140.5 Ų40.51%0.00621%0.206CC..Hα-helixtrans-62.8-43.1177.4-55.60000111.9F13 F14 T20 I21 L58F13-T17 PolarHBondContact O-N 3.47Å; F13-T17 PolarHBondContact O-OG1 3Å; F14-T17 PolarHBondContact O-N 3.21Å; T17-T20 PolarHBondContact O-OG1 3.4Å; T17-I21 HydrophobicContact CG2-CD1 3.75Å; T17-I21 HydrophobicContact CG2-CG1 4.48Å; T17-I21 WeakPolarHBondContact O-CB 3.42Å; T17-I21 WeakPolarHBondContact O-CD1 3.37Å; T17-I21 VanDerWaalsContact O-CG1 3.22Å; T17-I21 WeakPolarHBondContact O-CG1 3.38Å; T17-I21 PolarHBondContact O-N 3.15Å; T17-I21 VanDerWaalsContact O-N 3.08Å; T17-L58 HydrophobicContact CG2-CD1 3.59Å
18V98.1Very high96.3Very high9 Ų934.6 Ų34.66%0.05518%0.18CC..Hα-helixtrans-60-48.2175.4171.90000110.5F14 L15 I21 T22 Y51 V54 A55 L58F14-V18 HydrophobicContact CD2-CG2 4.14Å; F14-V18 HydrophobicContact CE1-CG2 4.37Å; F14-V18 HydrophobicContact CE2-CG2 3.76Å; F14-V18 HydrophobicContact CZ-CG2 3.89Å; F14-V18 WeakPolarHBondContact O-CG2 3.49Å; F14-V18 PolarHBondContact O-N 2.86Å; L15-V18 PolarHBondContact O-N 3.15Å; V18-I21 PolarHBondContact O-N 3.07Å; V18-T22 PolarHBondContact O-N 3.4Å; V18-T22 PolarHBondContact O-OG1 2.88Å; V18-T22 VanDerWaalsContact O-OG1 3.1Å; V18-Y51 HydrophobicContact CG1-CD1 3.73Å; V18-Y51 HydrophobicContact CG1-CE1 4.26Å; V18-V54 HydrophobicContact CB-CG1 4.38Å; V18-V54 HydrophobicContact CG1-CG1 4.35Å; V18-V54 HydrophobicContact CG2-CG1 4.19Å; V18-A55 HydrophobicContact CG1-CB 4.42Å; V18-A55 HydrophobicContact CG2-CB 4.24Å; V18-L58 HydrophobicContact CG2-CD1 3.95Å
19I97.3Very high96.3Very high76 Ų7632.7 Ų32.739%0.3917%0.171SC..Hα-helixtrans-63.5-46.9-179-70.1165.2000111.1L15 L16 I21 T22 L23L15-I19 WeakPolarHBondContact O-CB 3.39Å; L15-I19 WeakPolarHBondContact O-CD1 3.34Å; L15-I19 WeakPolarHBondContact O-CG1 3.25Å; L15-I19 PolarHBondContact O-N 2.92Å; L16-I19 PolarHBondContact O-N 2.94Å; I19-I21 VanDerWaalsContact C-N 3.34Å; I19-I21 PolarHBondContact O-N 3.2Å; I19-T22 PolarHBondContact O-N 2.8Å; I19-L23 HydrophobicContact CG2-CD1 3.79Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CB 3.46Å; I19-L23 VanDerWaalsContact O-CG 3.28Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 3.4Å
20T97.6Very high96Very high33 Ų3335.6 Ų35.620%0.20218%0.175CC..Hα-helixtrans-67.5-35.1-177.656.50000112.5L16 T17 K24 D130 Y134L16-T20 WeakPolarHBondContact O-CG2 3.26Å; L16-T20 PolarHBondContact O-N 3.48Å; L16-T20 PolarHBondContact O-OG1 3.33Å; T17-T20 PolarHBondContact O-OG1 3.4Å; T20-K24 VanDerWaalsContact O-CE 3.23Å; T20-K24 WeakPolarHBondContact O-CE 3.48Å; T20-K24 WeakPolarHBondContact O-CG 3.5Å; T20-K24 PolarHBondContact O-N 2.89Å; T20-K24 VanDerWaalsContact O-N 3.16Å; T20-D130 WeakPolarHBondContact CB-OD2 3.42Å; T20-D130 HydrophobicContact CG2-CB 3.96Å; T20-D130 PolarHBondContact OG1-OD2 3.28Å; T20-Y134 WeakPolarHBondContact CG2-OH 3.23Å; T20-Y134 PolarHBondContact OG1-OH 3.05Å; T20-Y134 VanDerWaalsContact OG1-OH 3.11Å
21I98.2Very high95.8Very high0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-66-47.3172-67.1170.1000110.7T17 V18 I19 L23 K24 T25 V54 L58 L80 Y197T17-I21 HydrophobicContact CG2-CD1 3.75Å; T17-I21 HydrophobicContact CG2-CG1 4.48Å; T17-I21 WeakPolarHBondContact O-CB 3.42Å; T17-I21 WeakPolarHBondContact O-CD1 3.37Å; T17-I21 VanDerWaalsContact O-CG1 3.22Å; T17-I21 WeakPolarHBondContact O-CG1 3.38Å; T17-I21 PolarHBondContact O-N 3.15Å; T17-I21 VanDerWaalsContact O-N 3.08Å; V18-I21 PolarHBondContact O-N 3.07Å; I19-I21 VanDerWaalsContact C-N 3.34Å; I19-I21 PolarHBondContact O-N 3.2Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.25Å; I21-K24 WeakPolarHBondContact O-CG 3.34Å; I21-K24 PolarHBondContact O-N 3.35Å; I21-T25 WeakPolarHBondContact O-CB 3.5Å; I21-T25 PolarHBondContact O-N 3.19Å; I21-T25 PolarHBondContact O-OG1 3.23Å; I21-V54 HydrophobicContact CB-CG1 4.08Å; I21-V54 HydrophobicContact CD1-CG1 4.05Å; I21-V54 HydrophobicContact CG2-CG1 3.96Å; I21-V54 HydrophobicContact CG2-CG2 3.74Å; I21-L58 HydrophobicContact CD1-CD1 4.19Å; I21-L80 HydrophobicContact CD1-CB 4.06Å; I21-L80 HydrophobicContact CD1-CD1 4.2Å; I21-Y197 HydrophobicContact CG2-CE2 3.99Å; I21-Y197 WeakPolarHBondContact CG2-OH 3.45Å
22T95.7Very high95.5Very high0 Ų035.5 Ų35.50%018%0.18CC..Hα-helixtrans-62.6-39.9178.4-61.60000112.3V18 I19 T25 Y26 P50 Y51V18-T22 PolarHBondContact O-N 3.4Å; V18-T22 PolarHBondContact O-OG1 2.88Å; V18-T22 VanDerWaalsContact O-OG1 3.1Å; I19-T22 PolarHBondContact O-N 2.8Å; T22-T25 PolarHBondContact O-N 2.89Å; T22-Y26 WeakPolarHBondContact O-CB 3.44Å; T22-Y26 PolarHBondContact O-N 3Å; T22-P50 HydrophobicContact CG2-CB 4.03Å; T22-P50 HydrophobicContact CG2-CG 3.93Å; T22-Y51 HydrophobicContact CG2-CD1 4.19Å; T22-Y51 HydrophobicContact CG2-CD2 4.01Å; T22-Y51 HydrophobicContact CG2-CE1 3.75Å; T22-Y51 HydrophobicContact CG2-CE2 3.58Å; T22-Y51 HydrophobicContact CG2-CG 4.3Å; T22-Y51 VanDerWaalsContact CG2-CZ 3.4Å; T22-Y51 WeakPolarHBondContact OG1-CD1 3.23Å; T22-Y51 WeakPolarHBondContact OG1-CE1 3.47Å
23L95.1Very high95.3Very high99 Ų9934 Ų3452%0.51817%0.167SC..Hα-helixtrans-63.6-43.8178.4-74174.2000112.3I19 I21 Y26 F27I19-L23 HydrophobicContact CG2-CD1 3.79Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CB 3.46Å; I19-L23 VanDerWaalsContact O-CG 3.28Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 3.4Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.25Å; L23-Y26 PolarHBondContact O-N 3.43Å; L23-F27 WeakPolarHBondContact O-CB 3.27Å; L23-F27 PolarHBondContact O-N 3.27Å
24K96.1Very high94.6Very high16 Ų1636 Ų367%0.0718%0.18CC..Hα-helixtrans-70.9-31.3176.571.5-179.576.9173.80112.5T20 I21 F27 S28 T81 L84 Y127 D130T20-K24 VanDerWaalsContact O-CE 3.23Å; T20-K24 WeakPolarHBondContact O-CE 3.48Å; T20-K24 WeakPolarHBondContact O-CG 3.5Å; T20-K24 PolarHBondContact O-N 2.89Å; T20-K24 VanDerWaalsContact O-N 3.16Å; I21-K24 WeakPolarHBondContact O-CG 3.34Å; I21-K24 PolarHBondContact O-N 3.35Å; K24-F27 WeakPolarHBondContact O-CB 3.4Å; K24-F27 PolarHBondContact O-N 3.44Å; K24-S28 PolarHBondContact O-N 3.11Å; K24-T81 HydrophobicContact CD-CG2 3.93Å; K24-T81 VanDerWaalsContact NZ-CG2 3.3Å; K24-T81 PolarHBondContact NZ-OG1 3.36Å; K24-L84 HydrophobicContact CB-CD2 4.5Å; K24-L84 HydrophobicContact CD-CD2 4.06Å; K24-L84 HydrophobicContact CG-CD2 3.68Å; K24-Y127 HydrophobicContact CB-CD1 4.11Å; K24-Y127 HydrophobicContact CD-CD1 4.36Å; K24-Y127 WeakPolarHBondContact CD-O 3.11Å; K24-Y127 WeakPolarHBondContact CE-O 3.48Å; K24-Y127 HydrophobicContact CG-CD1 4.43Å; K24-Y127 PolarHBondContact NZ-O 2.76Å; K24-D130 WeakPolarHBondContact CE-OD2 3.39Å; K24-D130 IonicContact NZ-OD1 3.91Å; K24-D130 PolarHBondContact NZ-OD1 3.19Å; K24-D130 IonicContact NZ-OD2 3.47Å; K24-D130 PolarHBondContact NZ-OD2 3.28Å
25T97.1Very high94Very high0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-64.6-46.9171.5-58.10000110.3I21 T22 F27 S28 Y29 P50 L84 P196 Y197I21-T25 WeakPolarHBondContact O-CB 3.5Å; I21-T25 PolarHBondContact O-N 3.19Å; I21-T25 PolarHBondContact O-OG1 3.23Å; T22-T25 PolarHBondContact O-N 2.89Å; T25-F27 VanDerWaalsContact C-N 3.33Å; T25-F27 PolarHBondContact O-N 3.4Å; T25-S28 PolarHBondContact O-N 3.16Å; T25-S28 VanDerWaalsContact O-N 3.16Å; T25-S28 PolarHBondContact O-OG 3.32Å; T25-Y29 HydrophobicContact CG2-CE1 3.95Å; T25-Y29 HydrophobicContact CG2-CE2 3.85Å; T25-Y29 VanDerWaalsContact CG2-CZ 3.41Å; T25-Y29 VanDerWaalsContact CG2-OH 3.23Å; T25-Y29 WeakPolarHBondContact CG2-OH 3.21Å; T25-Y29 PolarHBondContact O-N 3.26Å; T25-P50 HydrophobicContact CG2-CB 3.96Å; T25-P50 HydrophobicContact CG2-CG 3.59Å; T25-L84 HydrophobicContact CG2-CD1 4.09Å; T25-P196 HydrophobicContact CG2-CG 3.96Å; T25-Y197 HydrophobicContact CG2-CE2 4.4Å; T25-Y197 WeakPolarHBondContact OG1-CE2 3.2Å; T25-Y197 PolarHBondContact OG1-OH 3.23Å
26Y93.8Very high93.1Very high67 Ų6734.2 Ų34.226%0.26318%0.18SC..Hα-helixtrans-60.4-43175-171.6-99.9000111.6T22 L23 S28 Y29 Y30 N43 L46 L47T22-Y26 WeakPolarHBondContact O-CB 3.44Å; T22-Y26 PolarHBondContact O-N 3Å; L23-Y26 PolarHBondContact O-N 3.43Å; Y26-S28 VanDerWaalsContact C-N 3.34Å; Y26-S28 PolarHBondContact O-N 2.89Å; Y26-Y29 HydrophobicContact CD2-CD2 4.28Å; Y26-Y29 WeakPolarHBondContact O-CB 3.45Å; Y26-Y29 PolarHBondContact O-N 2.91Å; Y26-Y29 VanDerWaalsContact O-N 3.15Å; Y26-Y30 HydrophobicContact CD1-CD2 4.48Å; Y26-Y30 HydrophobicContact CD1-CE2 4.16Å; Y26-Y30 HydrophobicContact CD2-CE2 4.16Å; Y26-Y30 HydrophobicContact CE1-CD2 4.21Å; Y26-Y30 AromaticContact CE1-CE2 3.65Å; Y26-Y30 HydrophobicContact CE1-CE2 3.65Å; Y26-Y30 AromaticContact CE2-CE2 3.64Å; Y26-Y30 HydrophobicContact CE2-CE2 3.64Å; Y26-Y30 HydrophobicContact CG-CE2 4.4Å; Y26-Y30 AromaticContact CZ-CE2 3.35Å; Y26-Y30 AromaticContact CZ-CZ 3.8Å; Y26-Y30 VanDerWaalsContact O-CD2 3.31Å; Y26-Y30 WeakPolarHBondContact O-CD2 3.36Å; Y26-Y30 PolarHBondContact OH-OH 3.01Å; Y26-N43 PolarHBondContact OH-OD1 3.3Å; Y26-L46 HydrophobicContact CD2-CB 4.17Å; Y26-L46 HydrophobicContact CE2-CB 4Å; Y26-L47 HydrophobicContact CD2-CB 4.49Å; Y26-L47 HydrophobicContact CD2-CD1 4.5Å; Y26-L47 HydrophobicContact CE2-CB 4.39Å
27F93.7Very high92.4Very high76 Ų7632.1 Ų32.133%0.33317%0.17SC..Hα-helixtrans-55-47.3173.2172.1-94000112.1L23 K24 T25 Y29 Y30 V31 Y127L23-F27 WeakPolarHBondContact O-CB 3.27Å; L23-F27 PolarHBondContact O-N 3.27Å; K24-F27 WeakPolarHBondContact O-CB 3.4Å; K24-F27 PolarHBondContact O-N 3.44Å; T25-F27 VanDerWaalsContact C-N 3.33Å; T25-F27 PolarHBondContact O-N 3.4Å; F27-Y29 PolarHBondContact O-N 3.48Å; F27-Y30 PolarHBondContact O-N 3.2Å; F27-Y30 VanDerWaalsContact O-N 3.12Å; F27-V31 HydrophobicContact CD1-CB 4.48Å; F27-V31 HydrophobicContact CD1-CG2 4.33Å; F27-V31 HydrophobicContact CD2-CG2 3.9Å; F27-V31 HydrophobicContact CE1-CB 4.05Å; F27-V31 HydrophobicContact CE1-CG1 4.18Å; F27-V31 HydrophobicContact CE1-CG2 3.99Å; F27-V31 HydrophobicContact CE2-CB 4.48Å; F27-V31 HydrophobicContact CE2-CG2 3.54Å; F27-V31 HydrophobicContact CG-CG2 4.29Å; F27-V31 HydrophobicContact CZ-CB 4.06Å; F27-V31 HydrophobicContact CZ-CG1 4.04Å; F27-V31 HydrophobicContact CZ-CG2 3.59Å; F27-V31 PolarHBondContact O-N 2.94Å; F27-V31 VanDerWaalsContact O-N 3.12Å; F27-Y127 HydrophobicContact CD1-CE1 4.22Å
28S95.6Very high91.3Very high0 Ų037.7 Ų37.70%020%0.195CC..Hα-helixtrans-61.3-29.7179.3710000113.4K24 T25 Y26 Y30 D32 F33 Y127K24-S28 PolarHBondContact O-N 3.11Å; T25-S28 PolarHBondContact O-N 3.16Å; T25-S28 VanDerWaalsContact O-N 3.16Å; T25-S28 PolarHBondContact O-OG 3.32Å; Y26-S28 VanDerWaalsContact C-N 3.34Å; Y26-S28 PolarHBondContact O-N 2.89Å; S28-Y30 PolarHBondContact O-N 3Å; S28-D32 PolarHBondContact O-N 3.43Å; S28-F33 PolarHBondContact O-N 2.96Å; S28-F33 WeakPolarHBondContact OG-CD2 3.29Å; S28-F33 WeakPolarHBondContact OG-CE2 3.4Å; S28-Y127 WeakPolarHBondContact CB-OH 3.26Å
29Y94.1Very high90.7Very high3 Ų339.7 Ų39.71%0.01222%0.217CC..Hα-helixtrans-64.7-19.8177.5-62.5-34.8000114.4T25 Y26 F27 F33 L35 L46 N49 P50 V191 G195 P196T25-Y29 HydrophobicContact CG2-CE1 3.95Å; T25-Y29 HydrophobicContact CG2-CE2 3.85Å; T25-Y29 VanDerWaalsContact CG2-CZ 3.41Å; T25-Y29 VanDerWaalsContact CG2-OH 3.23Å; T25-Y29 WeakPolarHBondContact CG2-OH 3.21Å; T25-Y29 PolarHBondContact O-N 3.26Å; Y26-Y29 HydrophobicContact CD2-CD2 4.28Å; Y26-Y29 WeakPolarHBondContact O-CB 3.45Å; Y26-Y29 PolarHBondContact O-N 2.91Å; Y26-Y29 VanDerWaalsContact O-N 3.15Å; F27-Y29 PolarHBondContact O-N 3.48Å; Y29-F33 AromaticContact CD1-CD2 3.76Å; Y29-F33 HydrophobicContact CD1-CD2 3.76Å; Y29-F33 HydrophobicContact CE1-CD2 4.21Å; Y29-L35 HydrophobicContact CD1-CD1 3.37Å; Y29-L35 HydrophobicContact CE1-CD1 4Å; Y29-L35 HydrophobicContact CG-CD1 3.93Å; Y29-L46 HydrophobicContact CD2-CB 3.93Å; Y29-L46 HydrophobicContact CD2-CD2 3.61Å; Y29-L46 HydrophobicContact CD2-CG 3.65Å; Y29-L46 HydrophobicContact CE2-CB 4.19Å; Y29-L46 HydrophobicContact CE2-CD2 4.45Å; Y29-L46 HydrophobicContact CE2-CG 4.01Å; Y29-L46 WeakPolarHBondContact CE2-O 3.26Å; Y29-L46 HydrophobicContact CG-CD2 3.82Å; Y29-L46 HydrophobicContact CG-CG 4.22Å; Y29-N49 PolarHBondContact OH-OD1 3.13Å; Y29-P50 HydrophobicContact CE2-CG 4.29Å; Y29-V191 HydrophobicContact CE1-CG1 4.19Å; Y29-G195 VanDerWaalsContact OH-CA 3.32Å; Y29-G195 WeakPolarHBondContact OH-CA 3.35Å; Y29-P196 WeakPolarHBondContact OH-CD 3.34Å
30Y89.4Confident90.1Very high107 Ų10742.4 Ų42.442%0.4223%0.231SC..Hα-helixtrans-111.1-27.1179.8-65.4-92.5000113Y26 F27 S28 N43 L46Y26-Y30 HydrophobicContact CD1-CD2 4.48Å; Y26-Y30 HydrophobicContact CD1-CE2 4.16Å; Y26-Y30 HydrophobicContact CD2-CE2 4.16Å; Y26-Y30 HydrophobicContact CE1-CD2 4.21Å; Y26-Y30 AromaticContact CE1-CE2 3.65Å; Y26-Y30 HydrophobicContact CE1-CE2 3.65Å; Y26-Y30 AromaticContact CE2-CE2 3.64Å; Y26-Y30 HydrophobicContact CE2-CE2 3.64Å; Y26-Y30 HydrophobicContact CG-CE2 4.4Å; Y26-Y30 AromaticContact CZ-CE2 3.35Å; Y26-Y30 AromaticContact CZ-CZ 3.8Å; Y26-Y30 VanDerWaalsContact O-CD2 3.31Å; Y26-Y30 WeakPolarHBondContact O-CD2 3.36Å; Y26-Y30 PolarHBondContact OH-OH 3.01Å; F27-Y30 PolarHBondContact O-N 3.2Å; F27-Y30 VanDerWaalsContact O-N 3.12Å; S28-Y30 PolarHBondContact O-N 3Å; Y30-N43 PolarHBondContact OH-OD1 3.25Å; Y30-L46 HydrophobicContact CE2-CD2 4.28Å
31V90.3Very high89.6Confident63 Ų6344.6 Ų44.638%0.38225%0.245SC..Hα-helixtrans-91.9-37.8-175.6179.80000112F27 Y123F27-V31 HydrophobicContact CD1-CB 4.48Å; F27-V31 HydrophobicContact CD1-CG2 4.33Å; F27-V31 HydrophobicContact CD2-CG2 3.9Å; F27-V31 HydrophobicContact CE1-CB 4.05Å; F27-V31 HydrophobicContact CE1-CG1 4.18Å; F27-V31 HydrophobicContact CE1-CG2 3.99Å; F27-V31 HydrophobicContact CE2-CB 4.48Å; F27-V31 HydrophobicContact CE2-CG2 3.54Å; F27-V31 HydrophobicContact CG-CG2 4.29Å; F27-V31 HydrophobicContact CZ-CB 4.06Å; F27-V31 HydrophobicContact CZ-CG1 4.04Å; F27-V31 HydrophobicContact CZ-CG2 3.59Å; F27-V31 PolarHBondContact O-N 2.94Å; F27-V31 VanDerWaalsContact O-N 3.12Å; V31-Y123 HydrophobicContact CG1-CE2 4.05Å
32D90.6Very high89.2Confident3 Ų345.7 Ų45.72%0.01625%0.25CC..THydrogen-bonded Turntrans-123.2-38.1-169.1-64.9-84.6000113.4S28 V88 F91 R92 Y123 Y127S28-D32 PolarHBondContact O-N 3.43Å; D32-V88 HydrophobicContact CB-CG1 3.86Å; D32-V88 HydrophobicContact CB-CG2 4.37Å; D32-F91 VanDerWaalsContact O-CD1 3.28Å; D32-F91 WeakPolarHBondContact O-CD1 3.33Å; D32-F91 WeakPolarHBondContact O-CE1 3.44Å; D32-R92 IonicContact OD1-CZ 2.73Å; D32-R92 IonicContact OD1-NE 3.34Å; D32-R92 PolarHBondContact OD1-NE 3.36Å; D32-R92 IonicContact OD1-NH2 3.85Å; D32-R92 PolarHBondContact OD1-NH2 2.93Å; D32-R92 IonicContact OD2-NH2 3.67Å; D32-Y123 PolarHBondContact OD1-OH 3.48Å; D32-Y127 PolarHBondContact OD2-OH 3.36Å
33F90.1Very high88.9Confident4 Ų448 Ų482%0.01826%0.262CS..  trans-93.4111.8-178.8-55.5-42000111S28 Y29 L35 L84 N87 V88 F91 F97S28-F33 PolarHBondContact O-N 2.96Å; S28-F33 WeakPolarHBondContact OG-CD2 3.29Å; S28-F33 WeakPolarHBondContact OG-CE2 3.4Å; Y29-F33 AromaticContact CD1-CD2 3.76Å; Y29-F33 HydrophobicContact CD1-CD2 3.76Å; Y29-F33 HydrophobicContact CE1-CD2 4.21Å; F33-L35 HydrophobicContact CB-CD1 4.19Å; F33-L35 HydrophobicContact CB-CD2 4.16Å; F33-L35 HydrophobicContact CB-CG 3.78Å; F33-L35 PolarHBondContact O-N 2.93Å; F33-L84 HydrophobicContact CE2-CD1 4.08Å; F33-L84 HydrophobicContact CZ-CD1 4.47Å; F33-N87 HydrophobicContact CE1-CB 4.45Å; F33-N87 HydrophobicContact CZ-CB 4.01Å; F33-V88 HydrophobicContact CE1-CB 4.4Å; F33-V88 HydrophobicContact CE1-CG2 3.95Å; F33-V88 HydrophobicContact CE2-CG2 4.12Å; F33-V88 HydrophobicContact CZ-CB 4.34Å; F33-V88 HydrophobicContact CZ-CG2 3.51Å; F33-F91 HydrophobicContact CD1-CB 3.73Å; F33-F91 AromaticContact CD1-CD1 3.94Å; F33-F91 HydrophobicContact CD1-CD1 3.94Å; F33-F91 AromaticContact CD1-CD2 3.86Å; F33-F91 HydrophobicContact CD1-CD2 3.86Å; F33-F91 HydrophobicContact CD1-CE2 4.49Å; F33-F91 AromaticContact CD1-CG 3.56Å; F33-F91 HydrophobicContact CD1-CG 3.56Å; F33-F91 HydrophobicContact CE1-CB 3.66Å; F33-F91 HydrophobicContact CE1-CD2 4.37Å; F33-F91 HydrophobicContact CE1-CG 4.02Å; F33-F97 HydrophobicContact CB-CZ 4.28Å; F33-F97 AromaticContact CD1-CE1 3.66Å; F33-F97 HydrophobicContact CD1-CE1 3.66Å; F33-F97 AromaticContact CD1-CZ 3.85Å; F33-F97 HydrophobicContact CD1-CZ 3.85Å; F33-F97 HydrophobicContact CD2-CE1 4.14Å; F33-F97 HydrophobicContact CD2-CZ 4.36Å; F33-F97 HydrophobicContact CE1-CD1 4.33Å; F33-F97 AromaticContact CE1-CE1 3.52Å; F33-F97 HydrophobicContact CE1-CE1 3.52Å; F33-F97 HydrophobicContact CE1-CZ 4.2Å; F33-F97 AromaticContact CE2-CE1 4Å; F33-F97 HydrophobicContact CE2-CE1 4Å; F33-F97 AromaticContact CG-CE1 3.96Å; F33-F97 HydrophobicContact CG-CE1 3.96Å; F33-F97 AromaticContact CG-CZ 3.93Å; F33-F97 HydrophobicContact CG-CZ 3.93Å; F33-F97 HydrophobicContact CZ-CD1 4.48Å; F33-F97 AromaticContact CZ-CE1 3.7Å; F33-F97 HydrophobicContact CZ-CE1 3.7Å
34S83.1Confident88.6Confident41 Ų4147.3 Ų47.329%0.28726%0.259SS..  trans-75.162.8176.3-640000112.7G36 E481S34-G36 VanDerWaalsContact C-N 3.3Å; S34-G36 PolarHBondContact O-N 3.36Å; S34-E481 WeakPolarHBondContact CB-OE2 3.4Å; S34-E481 PolarHBondContact OG-OE2 2.89Å
35L85.8Confident88.4Confident9 Ų946.9 Ų46.95%0.04726%0.257CS..  trans-79.4-4.6-173.4-61-178.9000114.7Y29 F33 V37 F97 K188 K192Y29-L35 HydrophobicContact CD1-CD1 3.37Å; Y29-L35 HydrophobicContact CE1-CD1 4Å; Y29-L35 HydrophobicContact CG-CD1 3.93Å; F33-L35 HydrophobicContact CB-CD1 4.19Å; F33-L35 HydrophobicContact CB-CD2 4.16Å; F33-L35 HydrophobicContact CB-CG 3.78Å; F33-L35 PolarHBondContact O-N 2.93Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 HydrophobicContact CB-CG2 4.06Å; L35-V37 PolarHBondContact O-N 3.42Å; L35-F97 HydrophobicContact CD2-CE2 4.13Å; L35-F97 HydrophobicContact CD2-CZ 3.98Å; L35-K188 HydrophobicContact CD2-CB 4.48Å; L35-K192 HydrophobicContact CB-CB 4.35Å; L35-K192 HydrophobicContact CB-CD 4.49Å; L35-K192 HydrophobicContact CB-CG 4.33Å; L35-K192 HydrophobicContact CD1-CB 4.26Å; L35-K192 HydrophobicContact CD2-CB 4.37Å; L35-K192 WeakPolarHBondContact O-CD 3.17Å; L35-K192 PolarHBondContact O-NZ 2.87Å
36G76.9Confident88.1Confident36 Ų3646.9 Ų46.937%0.37126%0.257SS..  trans58.739.4176.800000114.3S34 K192S34-G36 VanDerWaalsContact C-N 3.3Å; S34-G36 PolarHBondContact O-N 3.36Å; G36-K192 PolarHBondContact O-NZ 2.9Å
37V82.9Confident87.9Confident31 Ų3147 Ų4719%0.18826%0.262CS..  trans-62.3133.3-178.3-172.80000110.9L35 Q42 L46L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 HydrophobicContact CB-CG2 4.06Å; L35-V37 PolarHBondContact O-N 3.42Å; V37-Q42 HydrophobicContact CG1-CB 3.87Å; V37-L46 HydrophobicContact CB-CD2 4.33Å; V37-L46 HydrophobicContact CG1-CD1 4.35Å; V37-L46 HydrophobicContact CG1-CD2 4.08Å; V37-L46 HydrophobicContact CG2-CD1 4.13Å; V37-L46 HydrophobicContact CG2-CD2 3.3Å; V37-L46 HydrophobicContact CG2-CG 4.38Å
38K76Confident87.8Confident119 Ų11946 Ų4652%0.51726%0.259SS..  trans-141.6141.6172.9-67.1-157.1-177.7-175.40112.7Q42 K578K38-Q42 WeakPolarHBondContact O-CB 3.5Å; K38-Q42 WeakPolarHBondContact O-CG 3.38Å; K38-Q42 PolarHBondContact O-OE1 2.88Å; K38-K578 VanDerWaalsContact CD-NZ 3.32Å
39G84.1Confident87.7Confident51 Ų5146 Ų4653%0.52626%0.259SS..Hα-helixtrans78165.4173.300000113.9V41 N43G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.29Å; G39-N43 PolarHBondContact O-N 3.4Å; G39-N43 PolarHBondContact O-ND2 3.33Å
40L86.4Confident87.7Confident132 Ų13245.9 Ų45.969%0.69126%0.258SS*.Hα-helixtrans-61.7-41.1-175.9-176.964.4000112Q42 N43 L44L40-Q42 PolarHBondContact O-N 3.4Å; L40-N43 PolarHBondContact O-N 3.29Å; L40-L44 HydrophobicContact CD1-CG 4.4Å; L40-L44 HydrophobicContact CG-CD1 4.06Å; L40-L44 HydrophobicContact CG-CG 4.37Å; L40-L44 WeakPolarHBondContact O-CG 3.27Å; L40-L44 PolarHBondContact O-N 3.33Å
41V86.5Confident87.9Confident79 Ų7944.1 Ų44.148%0.47925%0.252SS..Hα-helixtrans-58.2-51.4-177.4178.20000111.6G39 N43 L44 I45G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.29Å; V41-N43 VanDerWaalsContact C-N 3.32Å; V41-N43 PolarHBondContact O-N 3.03Å; V41-L44 WeakPolarHBondContact O-CB 3.44Å; V41-L44 PolarHBondContact O-N 3.46Å; V41-L44 VanDerWaalsContact O-N 3.16Å; V41-I45 HydrophobicContact CG1-CD1 4.09Å; V41-I45 WeakPolarHBondContact O-CG1 3.28Å; V41-I45 PolarHBondContact O-N 3.17Å
42Q89Confident88Confident24 Ų2441.3 Ų41.311%0.11223%0.234CC..Hα-helixtrans-66.9-34.8-179.7-62.2-176.5-2.200111.9V37 K38 L40 L44 I45 L46 D176 Y193V37-Q42 HydrophobicContact CG1-CB 3.87Å; K38-Q42 WeakPolarHBondContact O-CB 3.5Å; K38-Q42 WeakPolarHBondContact O-CG 3.38Å; K38-Q42 PolarHBondContact O-OE1 2.88Å; L40-Q42 PolarHBondContact O-N 3.4Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.08Å; Q42-I45 PolarHBondContact O-N 2.88Å; Q42-L46 WeakPolarHBondContact O-CD1 3.31Å; Q42-L46 PolarHBondContact O-N 2.91Å; Q42-D176 PolarHBondContact NE2-OD2 3.31Å; Q42-Y193 PolarHBondContact NE2-OH 2.98Å
43N89.9Confident88.3Confident47 Ų4742.4 Ų42.425%0.25124%0.24SC..Hα-helixtrans-63.2-39.1173.9-79.9-91.1000111.9Y26 Y30 G39 L40 V41 L46 L47Y26-N43 PolarHBondContact OH-OD1 3.3Å; Y30-N43 PolarHBondContact OH-OD1 3.25Å; G39-N43 PolarHBondContact O-N 3.4Å; G39-N43 PolarHBondContact O-ND2 3.33Å; L40-N43 PolarHBondContact O-N 3.29Å; V41-N43 VanDerWaalsContact C-N 3.32Å; V41-N43 PolarHBondContact O-N 3.03Å; N43-L46 PolarHBondContact O-N 3.2Å; N43-L47 WeakPolarHBondContact O-CB 3.44Å; N43-L47 PolarHBondContact O-N 3.1Å
44L89Confident88.6Confident86 Ų8642.2 Ų42.245%0.4524%0.24SC..Hα-helixtrans-66.6-42.7175.1-69.1173000111.6L40 V41 Q42 L46 L47 M48L40-L44 HydrophobicContact CD1-CG 4.4Å; L40-L44 HydrophobicContact CG-CD1 4.06Å; L40-L44 HydrophobicContact CG-CG 4.37Å; L40-L44 WeakPolarHBondContact O-CG 3.27Å; L40-L44 PolarHBondContact O-N 3.33Å; V41-L44 WeakPolarHBondContact O-CB 3.44Å; V41-L44 PolarHBondContact O-N 3.46Å; V41-L44 VanDerWaalsContact O-N 3.16Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.08Å; L44-L46 PolarHBondContact O-N 3.01Å; L44-L47 PolarHBondContact O-N 3.41Å; L44-M48 WeakPolarHBondContact O-CB 3.27Å; L44-M48 VanDerWaalsContact O-CG 3.28Å; L44-M48 WeakPolarHBondContact O-CG 3.49Å; L44-M48 PolarHBondContact O-N 3.16Å
45I91.2Very high89.3Confident6 Ų640.8 Ų40.83%0.03123%0.23CC..Hα-helixtrans-58.2-48.2173.9-68.2169.1000110.3V41 Q42 L47 M48 N49 F172 Y193V41-I45 HydrophobicContact CG1-CD1 4.09Å; V41-I45 WeakPolarHBondContact O-CG1 3.28Å; V41-I45 PolarHBondContact O-N 3.17Å; Q42-I45 PolarHBondContact O-N 2.88Å; I45-L47 VanDerWaalsContact C-N 3.3Å; I45-L47 PolarHBondContact O-N 3.4Å; I45-M48 PolarHBondContact O-N 3.01Å; I45-M48 VanDerWaalsContact O-N 3.1Å; I45-N49 VanDerWaalsContact O-CB 3.25Å; I45-N49 WeakPolarHBondContact O-CB 3.21Å; I45-N49 PolarHBondContact O-N 3.28Å; I45-F172 HydrophobicContact CG1-CB 4.46Å; I45-Y193 HydrophobicContact CD1-CD1 3.99Å; I45-Y193 HydrophobicContact CD1-CE1 4.01Å; I45-Y193 HydrophobicContact CG2-CD1 4.27Å; I45-Y193 WeakPolarHBondContact CG2-O 3.25Å
46L92.3Very high89.9Confident1 Ų142.9 Ų42.91%0.00524%0.241CC..Hα-helixtrans-61.1-38.1178.5-95.671.8000113Y26 Y29 Y30 V37 Q42 N43 L44 M48 P50 K192Y26-L46 HydrophobicContact CD2-CB 4.17Å; Y26-L46 HydrophobicContact CE2-CB 4Å; Y29-L46 HydrophobicContact CD2-CB 3.93Å; Y29-L46 HydrophobicContact CD2-CD2 3.61Å; Y29-L46 HydrophobicContact CD2-CG 3.65Å; Y29-L46 HydrophobicContact CE2-CB 4.19Å; Y29-L46 HydrophobicContact CE2-CD2 4.45Å; Y29-L46 HydrophobicContact CE2-CG 4.01Å; Y29-L46 WeakPolarHBondContact CE2-O 3.26Å; Y29-L46 HydrophobicContact CG-CD2 3.82Å; Y29-L46 HydrophobicContact CG-CG 4.22Å; Y30-L46 HydrophobicContact CE2-CD2 4.28Å; V37-L46 HydrophobicContact CB-CD2 4.33Å; V37-L46 HydrophobicContact CG1-CD1 4.35Å; V37-L46 HydrophobicContact CG1-CD2 4.08Å; V37-L46 HydrophobicContact CG2-CD1 4.13Å; V37-L46 HydrophobicContact CG2-CD2 3.3Å; V37-L46 HydrophobicContact CG2-CG 4.38Å; Q42-L46 WeakPolarHBondContact O-CD1 3.31Å; Q42-L46 PolarHBondContact O-N 2.91Å; N43-L46 PolarHBondContact O-N 3.2Å; L44-L46 PolarHBondContact O-N 3.01Å; L46-M48 VanDerWaalsContact C-N 3.34Å; L46-P50 WeakPolarHBondContact O-CD 3.25Å; L46-K192 HydrophobicContact CD1-CG 3.91Å; L46-K192 VanDerWaalsContact CD1-O 3.27Å; L46-K192 WeakPolarHBondContact CD1-O 3.28Å
47L89.7Confident90.9Very high69 Ų6943.9 Ų43.936%0.36124%0.24SC..Hα-helixtrans-66.5-39.6175.7-176.463.8000110.9Y26 N43 L44 I45 Y51Y26-L47 HydrophobicContact CD2-CB 4.49Å; Y26-L47 HydrophobicContact CD2-CD1 4.5Å; Y26-L47 HydrophobicContact CE2-CB 4.39Å; N43-L47 WeakPolarHBondContact O-CB 3.44Å; N43-L47 PolarHBondContact O-N 3.1Å; L44-L47 PolarHBondContact O-N 3.41Å; I45-L47 VanDerWaalsContact C-N 3.3Å; I45-L47 PolarHBondContact O-N 3.4Å; L47-Y51 VanDerWaalsContact O-CD2 3.28Å; L47-Y51 WeakPolarHBondContact O-CD2 3.42Å; L47-Y51 WeakPolarHBondContact O-CE2 3.22Å
48M90.4Very high91.6Very high56 Ų5642.4 Ų42.428%0.27623%0.231SC..Hα-helixtrans-79.7-37.6-175.3-73.2176.862.200114.1L44 I45 L46 Y51 L168 F172L44-M48 WeakPolarHBondContact O-CB 3.27Å; L44-M48 VanDerWaalsContact O-CG 3.28Å; L44-M48 WeakPolarHBondContact O-CG 3.49Å; L44-M48 PolarHBondContact O-N 3.16Å; I45-M48 PolarHBondContact O-N 3.01Å; I45-M48 VanDerWaalsContact O-N 3.1Å; L46-M48 VanDerWaalsContact C-N 3.34Å; M48-Y51 WeakPolarHBondContact O-CD2 3.21Å; M48-Y51 PolarHBondContact O-N 2.78Å; M48-L168 HydrophobicContact CE-CD2 4.02Å; M48-L168 HydrophobicContact CE-CG 4.3Å; M48-F172 HydrophobicContact CE-CD2 4.34Å; M48-F172 HydrophobicContact CE-CE2 4.41Å
49N94.2Very high92.6Very high0 Ų036.8 Ų36.80%021%0.206CC..THydrogen-bonded Turntrans-61.2-28.5-165.279.228000116.1Y29 I45 K192 G195 N198Y29-N49 PolarHBondContact OH-OD1 3.13Å; I45-N49 VanDerWaalsContact O-CB 3.25Å; I45-N49 WeakPolarHBondContact O-CB 3.21Å; I45-N49 PolarHBondContact O-N 3.28Å; N49-K192 PolarHBondContact ND2-O 2.86Å; N49-G195 PolarHBondContact ND2-N 3.45Å; N49-G195 VanDerWaalsContact OD1-CA 3.28Å; N49-G195 WeakPolarHBondContact OD1-CA 3.34Å; N49-N198 PolarHBondContact O-ND2 2.64Å
50P93.7Very high93.2Very high0 Ų037.6 Ų37.60%020%0.201CC..THydrogen-bonded Turntrans-77.4-28.1-179.2-16.834.4000112T22 T25 Y29 L46 S52 V54 Y197T22-P50 HydrophobicContact CG2-CB 4.03Å; T22-P50 HydrophobicContact CG2-CG 3.93Å; T25-P50 HydrophobicContact CG2-CB 3.96Å; T25-P50 HydrophobicContact CG2-CG 3.59Å; Y29-P50 HydrophobicContact CE2-CG 4.29Å; L46-P50 WeakPolarHBondContact O-CD 3.25Å; P50-S52 VanDerWaalsContact C-N 3.34Å; P50-S52 PolarHBondContact O-N 3.49Å; P50-V54 WeakPolarHBondContact O-CB 3.41Å; P50-V54 WeakPolarHBondContact O-CG2 3.35Å; P50-V54 PolarHBondContact O-N 3.08Å; P50-Y197 HydrophobicContact CB-CD2 4.32Å; P50-Y197 HydrophobicContact CB-CE2 4.29Å
51Y93.3Very high93.7Very high70 Ų7033.3 Ų33.328%0.27518%0.177SC..Hα-helixtrans-60.8-41-168.8-73-72000112.8V18 T22 L47 M48 A55V18-Y51 HydrophobicContact CG1-CD1 3.73Å; V18-Y51 HydrophobicContact CG1-CE1 4.26Å; T22-Y51 HydrophobicContact CG2-CD1 4.19Å; T22-Y51 HydrophobicContact CG2-CD2 4.01Å; T22-Y51 HydrophobicContact CG2-CE1 3.75Å; T22-Y51 HydrophobicContact CG2-CE2 3.58Å; T22-Y51 HydrophobicContact CG2-CG 4.3Å; T22-Y51 VanDerWaalsContact CG2-CZ 3.4Å; T22-Y51 WeakPolarHBondContact OG1-CD1 3.23Å; T22-Y51 WeakPolarHBondContact OG1-CE1 3.47Å; L47-Y51 VanDerWaalsContact O-CD2 3.28Å; L47-Y51 WeakPolarHBondContact O-CD2 3.42Å; L47-Y51 WeakPolarHBondContact O-CE2 3.22Å; M48-Y51 WeakPolarHBondContact O-CD2 3.21Å; M48-Y51 PolarHBondContact O-N 2.78Å; Y51-A55 WeakPolarHBondContact O-CB 3.41Å; Y51-A55 PolarHBondContact O-N 3.16Å
52S92.6Very high94.2Very high3 Ų329.5 Ų29.52%0.02115%0.154CC..Hα-helixtrans-61.1-55.3-168.864.60000112.2P50 L56 S162 N198P50-S52 VanDerWaalsContact C-N 3.34Å; P50-S52 PolarHBondContact O-N 3.49Å; S52-L56 VanDerWaalsContact O-CB 3.25Å; S52-L56 WeakPolarHBondContact O-CB 3.42Å; S52-L56 PolarHBondContact O-N 3.29Å; S52-S162 WeakPolarHBondContact CB-O 3.4Å; S52-N198 PolarHBondContact OG-ND2 3.34Å
53L95.9Very high94.5Very high27 Ų2731.9 Ų31.914%0.14116%0.164CC..Hα-helixtrans-76-36.2-177.3-165.660.1000112.4L56 V57 Y197 N198 V201L53-L56 HydrophobicContact CD1-CD2 4.23Å; L53-L56 PolarHBondContact O-N 2.7Å; L53-V57 HydrophobicContact CD1-CG2 4.14Å; L53-V57 HydrophobicContact CG-CG2 4.14Å; L53-V57 WeakPolarHBondContact O-CB 3.26Å; L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 2.9Å; L53-Y197 WeakPolarHBondContact CD2-O 3.22Å; L53-N198 WeakPolarHBondContact CB-OD1 3.4Å; L53-V201 HydrophobicContact CD1-CG2 4.38Å; L53-V201 HydrophobicContact CD2-CG2 3.41Å; L53-V201 VanDerWaalsContact CD2-CG2 3.41Å
54V98Very high94.7Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-61.2-48.9177.2173.40000110.4V18 I21 P50 L58 L80 Y197V18-V54 HydrophobicContact CB-CG1 4.38Å; V18-V54 HydrophobicContact CG1-CG1 4.35Å; V18-V54 HydrophobicContact CG2-CG1 4.19Å; I21-V54 HydrophobicContact CB-CG1 4.08Å; I21-V54 HydrophobicContact CD1-CG1 4.05Å; I21-V54 HydrophobicContact CG2-CG1 3.96Å; I21-V54 HydrophobicContact CG2-CG2 3.74Å; P50-V54 WeakPolarHBondContact O-CB 3.41Å; P50-V54 WeakPolarHBondContact O-CG2 3.35Å; P50-V54 PolarHBondContact O-N 3.08Å; V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 VanDerWaalsContact O-CB 3.32Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 VanDerWaalsContact O-CG 3.26Å; V54-L58 WeakPolarHBondContact O-CG 3.5Å; V54-L58 PolarHBondContact O-N 3.1Å; V54-L80 HydrophobicContact CB-CD1 4.43Å; V54-L80 HydrophobicContact CG1-CD1 4.11Å; V54-L80 HydrophobicContact CG2-CD1 4.37Å; V54-Y197 HydrophobicContact CG2-CD2 3.46Å; V54-Y197 VanDerWaalsContact CG2-CD2 3.46Å; V54-Y197 HydrophobicContact CG2-CE2 3.41Å; V54-Y197 VanDerWaalsContact CG2-CE2 3.41Å; V54-Y197 HydrophobicContact CG2-CG 4.12Å
55A97.9Very high94.7Very high10 Ų1037.4 Ų37.48%0.08318%0.182CC..Hα-helixtrans-64.6-41.9177.100000111.6F14 V18 Y51 L58 S59 S162F14-A55 WeakPolarHBondContact CE2-O 3.29Å; F14-A55 HydrophobicContact CZ-CB 4.1Å; V18-A55 HydrophobicContact CG1-CB 4.42Å; V18-A55 HydrophobicContact CG2-CB 4.24Å; Y51-A55 WeakPolarHBondContact O-CB 3.41Å; Y51-A55 PolarHBondContact O-N 3.16Å; A55-L58 PolarHBondContact O-N 2.94Å; A55-S59 WeakPolarHBondContact O-CB 3.16Å; A55-S59 PolarHBondContact O-N 2.83Å; A55-S59 PolarHBondContact O-OG 2.88Å; A55-S162 WeakPolarHBondContact CB-OG 3.49Å
56L97.6Very high94.7Very high54 Ų5438.1 Ų38.128%0.28319%0.191SC..Hα-helixtrans-60.5-51.8178.9-176.960000111.6S52 L53 L58 S59 M159 V163S52-L56 VanDerWaalsContact O-CB 3.25Å; S52-L56 WeakPolarHBondContact O-CB 3.42Å; S52-L56 PolarHBondContact O-N 3.29Å; L53-L56 HydrophobicContact CD1-CD2 4.23Å; L53-L56 PolarHBondContact O-N 2.7Å; L56-L58 PolarHBondContact O-N 3.36Å; L56-S59 PolarHBondContact O-N 2.82Å; L56-S59 PolarHBondContact O-OG 2.94Å; L56-M159 HydrophobicContact CD1-CB 4.09Å; L56-M159 HydrophobicContact CD1-CG 4.16Å; L56-V163 HydrophobicContact CD1-CG2 4.2Å; L56-V163 HydrophobicContact CD2-CG2 4.18Å
57V97.5Very high94.7Very high57 Ų5743.7 Ų43.735%0.34522%0.215SC..Hα-helixtrans-61-47.7179.7170.50000111L53 S59 V60 L80L53-V57 HydrophobicContact CD1-CG2 4.14Å; L53-V57 HydrophobicContact CG-CG2 4.14Å; L53-V57 WeakPolarHBondContact O-CB 3.26Å; L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 2.9Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.27Å; V57-V60 PolarHBondContact O-N 3.3Å; V57-L80 HydrophobicContact CB-CD1 4.46Å; V57-L80 HydrophobicContact CG1-CD1 4.28Å
58L98.3Very high94.8Very high0 Ų047.8 Ų47.80%023%0.23CC..Hα-helixtrans-71.6-26.7-177.4-67.9179.2000113.2F14 T17 V18 I21 V54 A55 L56 V60 F61 M73 L80F14-L58 HydrophobicContact CD2-CB 3.8Å; F14-L58 HydrophobicContact CE2-CB 3.74Å; T17-L58 HydrophobicContact CG2-CD1 3.59Å; V18-L58 HydrophobicContact CG2-CD1 3.95Å; I21-L58 HydrophobicContact CD1-CD1 4.19Å; V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 VanDerWaalsContact O-CB 3.32Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 VanDerWaalsContact O-CG 3.26Å; V54-L58 WeakPolarHBondContact O-CG 3.5Å; V54-L58 PolarHBondContact O-N 3.1Å; A55-L58 PolarHBondContact O-N 2.94Å; L56-L58 PolarHBondContact O-N 3.36Å; L58-V60 PolarHBondContact O-N 2.88Å; L58-F61 HydrophobicContact CD2-CD2 4.14Å; L58-F61 HydrophobicContact CD2-CE2 4.11Å; L58-F61 PolarHBondContact O-N 2.9Å; L58-F61 VanDerWaalsContact O-N 3.07Å; L58-M73 HydrophobicContact CB-SD 3.77Å; L58-M73 HydrophobicContact CD2-SD 4.04Å; L58-M73 HydrophobicContact CG-SD 4.33Å; L58-L80 HydrophobicContact CD1-CD1 4.33Å; L58-L80 HydrophobicContact CD2-CD1 4.17Å; L58-L80 HydrophobicContact CG-CD1 3.98Å
59S97.5Very high95.1Very high0 Ų045.1 Ų45.10%022%0.217CC..Hα-helixtrans-63.3-26.2-179.972.30000113.1A55 L56 V57 F61 L62 V155 M159A55-S59 WeakPolarHBondContact O-CB 3.16Å; A55-S59 PolarHBondContact O-N 2.83Å; A55-S59 PolarHBondContact O-OG 2.88Å; L56-S59 PolarHBondContact O-N 2.82Å; L56-S59 PolarHBondContact O-OG 2.94Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.27Å; S59-F61 PolarHBondContact O-N 2.91Å; S59-L62 VanDerWaalsContact O-CB 3.27Å; S59-L62 WeakPolarHBondContact O-CB 3.48Å; S59-L62 PolarHBondContact O-N 3.36Å; S59-V155 WeakPolarHBondContact O-CG1 3.35Å; S59-M159 WeakPolarHBondContact OG-CE 3.49Å; S59-M159 WeakPolarHBondContact OG-CG 3.37Å
60V96.2Very high95.2Very high68 Ų6845.2 Ų45.241%0.41222%0.217SC..G310 helixtrans-55.7-35.6174.2177.20000110.8V57 L58 L62 F63 M159V57-V60 PolarHBondContact O-N 3.3Å; L58-V60 PolarHBondContact O-N 2.88Å; V60-L62 PolarHBondContact O-N 3.36Å; V60-F63 WeakPolarHBondContact O-CD2 3.35Å; V60-F63 PolarHBondContact O-N 2.86Å; V60-M159 HydrophobicContact CB-CE 4.25Å; V60-M159 HydrophobicContact CG2-CE 3.66Å
61F96.8Very high95.4Very high42 Ų4249.6 Ų49.618%0.18423%0.234CC..G310 helixtrans-74.3-13-178-55.2-53.7000113.8L58 S59 F63 F64 F72 M73L58-F61 HydrophobicContact CD2-CD2 4.14Å; L58-F61 HydrophobicContact CD2-CE2 4.11Å; L58-F61 PolarHBondContact O-N 2.9Å; L58-F61 VanDerWaalsContact O-N 3.07Å; S59-F61 PolarHBondContact O-N 2.91Å; F61-F63 PolarHBondContact O-N 3.45Å; F61-F64 HydrophobicContact CD1-CE2 4.36Å; F61-F64 PolarHBondContact O-N 3.05Å; F61-F72 HydrophobicContact CB-CB 4.29Å; F61-F72 HydrophobicContact CD1-CB 3.49Å; F61-F72 VanDerWaalsContact CD1-CB 3.49Å; F61-F72 HydrophobicContact CD1-CG 4.32Å; F61-F72 HydrophobicContact CE1-CB 3.94Å; F61-F72 HydrophobicContact CG-CB 3.91Å; F61-M73 HydrophobicContact CB-CE 3.78Å; F61-M73 HydrophobicContact CB-SD 4.28Å; F61-M73 HydrophobicContact CD2-SD 4.26Å
62L96.8Very high95.6Very high0 Ų049.7 Ų49.70%024%0.236CC..G310 helixtrans-70.2-14.9174.4-63175.5000113.2L10 F11 F14 S59 V60 F64 M73 F150 V155 V158L10-L62 HydrophobicContact CD2-CD2 4.29Å; L10-L62 HydrophobicContact CG-CD2 4.02Å; F11-L62 HydrophobicContact CD2-CD1 4.08Å; F11-L62 HydrophobicContact CD2-CD2 4.39Å; F11-L62 HydrophobicContact CE2-CD1 4.41Å; F14-L62 HydrophobicContact CB-CD2 3.9Å; F14-L62 HydrophobicContact CD1-CD1 4.33Å; F14-L62 HydrophobicContact CD2-CD1 4.37Å; F14-L62 HydrophobicContact CD2-CG 4.49Å; F14-L62 HydrophobicContact CG-CD1 4.24Å; F14-L62 HydrophobicContact CG-CD2 4.22Å; F14-L62 HydrophobicContact CG-CG 4.47Å; S59-L62 VanDerWaalsContact O-CB 3.27Å; S59-L62 WeakPolarHBondContact O-CB 3.48Å; S59-L62 PolarHBondContact O-N 3.36Å; V60-L62 PolarHBondContact O-N 3.36Å; L62-F64 PolarHBondContact O-N 3.43Å; L62-M73 HydrophobicContact CD2-CE 3.94Å; L62-M73 HydrophobicContact CG-CE 4.33Å; L62-F150 HydrophobicContact CB-CB 4.48Å; L62-F150 HydrophobicContact CB-CD1 4.01Å; L62-F150 HydrophobicContact CD1-CD1 4.2Å; L62-F150 HydrophobicContact CD1-CE1 4.26Å; L62-F150 HydrophobicContact CD2-CB 4.36Å; L62-F150 HydrophobicContact CD2-CG 4.45Å; L62-F150 HydrophobicContact CG-CD1 4.5Å; L62-V155 HydrophobicContact CB-CG1 4.29Å; L62-V155 HydrophobicContact CB-CG2 3.68Å; L62-V158 HydrophobicContact CD1-CG1 4.41Å
63F95.1Very high95.8Very high74 Ų7449.6 Ų49.633%0.32524%0.235SC..G310 helixtrans-71-19.6171.6-76.8-66.5000113.4V60 F61 K152 V155 M159V60-F63 WeakPolarHBondContact O-CD2 3.35Å; V60-F63 PolarHBondContact O-N 2.86Å; F61-F63 PolarHBondContact O-N 3.45Å; F63-K152 HydrophobicContact CD1-CB 4.28Å; F63-K152 HydrophobicContact CD1-CD 4.39Å; F63-K152 HydrophobicContact CD1-CG 4.26Å; F63-K152 HydrophobicContact CE1-CB 4.46Å; F63-K152 WeakPolarHBondContact O-CE 3.43Å; F63-V155 HydrophobicContact CD1-CB 4.29Å; F63-V155 HydrophobicContact CD1-CG1 4.4Å; F63-V155 HydrophobicContact CD1-CG2 4.28Å; F63-V155 HydrophobicContact CD2-CB 4.49Å; F63-V155 HydrophobicContact CD2-CG1 3.74Å; F63-V155 HydrophobicContact CE1-CB 3.83Å; F63-V155 HydrophobicContact CE1-CG1 4.06Å; F63-V155 HydrophobicContact CE1-CG2 4.27Å; F63-V155 HydrophobicContact CE2-CB 4.06Å; F63-V155 HydrophobicContact CE2-CG1 3.34Å; F63-V155 HydrophobicContact CG-CG1 4.26Å; F63-V155 HydrophobicContact CZ-CB 3.71Å; F63-V155 HydrophobicContact CZ-CG1 3.52Å; F63-M159 HydrophobicContact CD2-CE 4.4Å; F63-M159 HydrophobicContact CE2-CE 3.74Å; F63-M159 HydrophobicContact CE2-SD 4.27Å
64F93.7Very high95.9Very high91 Ų9149.5 Ų49.540%0.39923%0.234SC..  trans-87.7165.6-179.4-61.9-88.8000111.7F61 L62 A69 F72F61-F64 HydrophobicContact CD1-CE2 4.36Å; F61-F64 PolarHBondContact O-N 3.05Å; L62-F64 PolarHBondContact O-N 3.43Å; F64-A69 HydrophobicContact CB-CB 3.66Å; F64-F72 HydrophobicContact CB-CD2 4.31Å; F64-F72 AromaticContact CD1-CD2 4Å; F64-F72 HydrophobicContact CD1-CD2 4Å; F64-F72 AromaticContact CD1-CE2 3.64Å; F64-F72 HydrophobicContact CD1-CE2 3.64Å; F64-F72 AromaticContact CD2-CD2 3.96Å; F64-F72 HydrophobicContact CD2-CD2 3.96Å; F64-F72 HydrophobicContact CD2-CE2 4.38Å; F64-F72 HydrophobicContact CE1-CD2 4.28Å; F64-F72 AromaticContact CE1-CE2 3.75Å; F64-F72 HydrophobicContact CE1-CE2 3.75Å; F64-F72 HydrophobicContact CE2-CD2 4.24Å; F64-F72 HydrophobicContact CE2-CE2 4.47Å; F64-F72 AromaticContact CG-CD2 3.81Å; F64-F72 HydrophobicContact CG-CD2 3.81Å; F64-F72 AromaticContact CG-CE2 3.96Å; F64-F72 HydrophobicContact CG-CE2 3.96Å; F64-F72 HydrophobicContact CZ-CD2 4.39Å; F64-F72 HydrophobicContact CZ-CE2 4.17Å
65K90.3Very high95.9Very high157 Ų15753.3 Ų53.368%0.68325%0.253SS*.  trans-135.5165.7178.967.5179.2179.1178.10111.3A149K65-A149 HydrophobicContact CB-CB 3.63Å
66G91.4Very high95.9Very high21 Ų2153.1 Ų53.122%0.21625%0.252CS..SBendtrans72.9-170.6178.300000113.4K68 A69 T147G66-K68 PolarHBondContact O-N 3.07Å; G66-A69 WeakPolarHBondContact O-CB 3.1Å; G66-A69 PolarHBondContact O-N 3.05Å; G66-T147 PolarHBondContact N-O 3.2Å; G66-T147 VanDerWaalsContact N-O 3.13Å
67K90.9Very high96Very high119 Ų11950.8 Ų50.852%0.51724%0.241SC..Hα-helixtrans-59.2-33.3-177.3-63.8-175.4-179.3-1790113A69 F70 W71 T147K67-A69 VanDerWaalsContact C-N 3.28Å; K67-A69 PolarHBondContact O-N 3.49Å; K67-F70 PolarHBondContact O-N 3.5Å; K67-W71 PolarHBondContact O-N 2.89Å; K67-T147 HydrophobicContact CG-CG2 4.06Å
68K92.8Very high96Very high155 Ų15551.8 Ų51.867%0.67424%0.241SC*.Hα-helixtrans-60.7-35.7179.4-66.2-172.5179.6-175.50112.5G66 F70 W71 F72G66-K68 PolarHBondContact O-N 3.07Å; K68-F70 VanDerWaalsContact C-N 3.33Å; K68-F70 PolarHBondContact O-N 3.08Å; K68-W71 PolarHBondContact O-N 3.43Å; K68-F72 HydrophobicContact CB-CE2 4.38Å; K68-F72 WeakPolarHBondContact O-CD2 3.42Å; K68-F72 WeakPolarHBondContact O-CG 3.37Å; K68-F72 PolarHBondContact O-N 3.24Å
69A95.5Very high96Very high0 Ų056.7 Ų56.70%027%0.266CS..Hα-helixtrans-62.4-40.6178.900000112.3L10 F64 G66 K67 F72 M73L10-A69 HydrophobicContact CD1-CB 3.81Å; L10-A69 HydrophobicContact CD2-CB 3.68Å; L10-A69 HydrophobicContact CG-CB 4.41Å; F64-A69 HydrophobicContact CB-CB 3.66Å; G66-A69 WeakPolarHBondContact O-CB 3.1Å; G66-A69 PolarHBondContact O-N 3.05Å; K67-A69 VanDerWaalsContact C-N 3.28Å; K67-A69 PolarHBondContact O-N 3.49Å; A69-F72 PolarHBondContact O-N 3.11Å; A69-M73 PolarHBondContact O-N 3.5Å
70F97.3Very high96.1Very high1 Ų157.4 Ų57.40%0.00427%0.27CS..Hα-helixtrans-67.8-38.5175.9-68.5-94000112.1L10 F13 K67 K68 M73 F74 L138 L145 D146L10-F70 HydrophobicContact CB-CE1 4.49Å; L10-F70 HydrophobicContact CB-CE2 4.33Å; L10-F70 HydrophobicContact CB-CZ 4.03Å; L10-F70 HydrophobicContact CD1-CD1 4.15Å; L10-F70 HydrophobicContact CD1-CD2 4.14Å; L10-F70 HydrophobicContact CD1-CE1 4.23Å; L10-F70 HydrophobicContact CD1-CE2 4.21Å; L10-F70 HydrophobicContact CD1-CG 4.1Å; L10-F70 HydrophobicContact CD1-CZ 4.27Å; F13-F70 HydrophobicContact CB-CD1 3.91Å; F13-F70 HydrophobicContact CB-CE1 3.74Å; F13-F70 AromaticContact CD1-CD1 3.75Å; F13-F70 HydrophobicContact CD1-CD1 3.75Å; F13-F70 HydrophobicContact CD1-CE1 4.45Å; F13-F70 HydrophobicContact CD2-CD1 4.17Å; F13-F70 HydrophobicContact CE1-CD1 4.31Å; F13-F70 AromaticContact CG-CD1 3.68Å; F13-F70 HydrophobicContact CG-CD1 3.68Å; F13-F70 HydrophobicContact CG-CE1 4.01Å; K67-F70 PolarHBondContact O-N 3.5Å; K68-F70 VanDerWaalsContact C-N 3.33Å; K68-F70 PolarHBondContact O-N 3.08Å; F70-M73 PolarHBondContact O-N 3.12Å; F70-F74 WeakPolarHBondContact O-CB 3.47Å; F70-F74 PolarHBondContact O-N 2.7Å; F70-L138 HydrophobicContact CB-CD2 3.59Å; F70-L145 HydrophobicContact CB-CD1 4.28Å; F70-L145 HydrophobicContact CD1-CD1 3.98Å; F70-L145 HydrophobicContact CD1-CD2 3.97Å; F70-L145 HydrophobicContact CD1-CG 4.38Å; F70-L145 HydrophobicContact CD2-CD1 4.31Å; F70-L145 HydrophobicContact CE1-CB 4.15Å; F70-L145 HydrophobicContact CE1-CD1 4.37Å; F70-L145 HydrophobicContact CE1-CD2 3.79Å; F70-L145 HydrophobicContact CE1-CG 4.31Å; F70-L145 HydrophobicContact CE2-CB 4.15Å; F70-L145 HydrophobicContact CG-CD1 3.95Å; F70-L145 HydrophobicContact CZ-CB 3.93Å; F70-L145 HydrophobicContact CZ-CD2 4.41Å; F70-D146 WeakPolarHBondContact CE2-O 3.48Å; F70-D146 WeakPolarHBondContact CZ-O 3.39Å
71W97.4Very high96.2Very high92 Ų9254.1 Ų54.135%0.34825%0.25SS..Hα-helixtrans-63.8-41.6173.2-82.3105.3000112.4K67 K68 F74 I75 L135 L138 I139K67-W71 PolarHBondContact O-N 2.89Å; K68-W71 PolarHBondContact O-N 3.43Å; W71-F74 AromaticContact CE3-CD1 3.9Å; W71-F74 HydrophobicContact CE3-CD1 3.9Å; W71-F74 HydrophobicContact CE3-CE1 4.43Å; W71-F74 AromaticContact CZ3-CD1 3.98Å; W71-F74 HydrophobicContact CZ3-CD1 3.98Å; W71-F74 HydrophobicContact CZ3-CE1 4.08Å; W71-F74 WeakPolarHBondContact O-CB 3.47Å; W71-F74 PolarHBondContact O-N 3.23Å; W71-I75 VanDerWaalsContact O-CG1 3.27Å; W71-I75 WeakPolarHBondContact O-CG1 3.25Å; W71-I75 PolarHBondContact O-N 3.09Å; W71-L135 HydrophobicContact CH2-CD1 3.82Å; W71-L135 HydrophobicContact CZ3-CD1 3.94Å; W71-L138 HydrophobicContact CD2-CD1 4.13Å; W71-L138 HydrophobicContact CE3-CD1 4.05Å; W71-L138 HydrophobicContact CH2-CB 4.1Å; W71-L138 HydrophobicContact CZ2-CB 3.76Å; W71-L138 HydrophobicContact CZ3-CD1 4.28Å; W71-I139 HydrophobicContact CH2-CG1 4.2Å; W71-I139 HydrophobicContact CZ2-CG1 4.38Å
72F97.5Very high96.3Very high73 Ų7357.3 Ų57.332%0.3226%0.264SS..Hα-helixtrans-63.8-42.8174.4-64.6-31.5000112.3F61 F64 K68 A69 F74 I75 G76F61-F72 HydrophobicContact CB-CB 4.29Å; F61-F72 HydrophobicContact CD1-CB 3.49Å; F61-F72 VanDerWaalsContact CD1-CB 3.49Å; F61-F72 HydrophobicContact CD1-CG 4.32Å; F61-F72 HydrophobicContact CE1-CB 3.94Å; F61-F72 HydrophobicContact CG-CB 3.91Å; F64-F72 HydrophobicContact CB-CD2 4.31Å; F64-F72 AromaticContact CD1-CD2 4Å; F64-F72 HydrophobicContact CD1-CD2 4Å; F64-F72 AromaticContact CD1-CE2 3.64Å; F64-F72 HydrophobicContact CD1-CE2 3.64Å; F64-F72 AromaticContact CD2-CD2 3.96Å; F64-F72 HydrophobicContact CD2-CD2 3.96Å; F64-F72 HydrophobicContact CD2-CE2 4.38Å; F64-F72 HydrophobicContact CE1-CD2 4.28Å; F64-F72 AromaticContact CE1-CE2 3.75Å; F64-F72 HydrophobicContact CE1-CE2 3.75Å; F64-F72 HydrophobicContact CE2-CD2 4.24Å; F64-F72 HydrophobicContact CE2-CE2 4.47Å; F64-F72 AromaticContact CG-CD2 3.81Å; F64-F72 HydrophobicContact CG-CD2 3.81Å; F64-F72 AromaticContact CG-CE2 3.96Å; F64-F72 HydrophobicContact CG-CE2 3.96Å; F64-F72 HydrophobicContact CZ-CD2 4.39Å; F64-F72 HydrophobicContact CZ-CE2 4.17Å; K68-F72 HydrophobicContact CB-CE2 4.38Å; K68-F72 WeakPolarHBondContact O-CD2 3.42Å; K68-F72 WeakPolarHBondContact O-CG 3.37Å; K68-F72 PolarHBondContact O-N 3.24Å; A69-F72 PolarHBondContact O-N 3.11Å; F72-F74 VanDerWaalsContact C-N 3.3Å; F72-F74 PolarHBondContact O-N 3.05Å; F72-I75 PolarHBondContact O-N 3.4Å; F72-G76 PolarHBondContact O-N 3.2Å
73M97.2Very high96.3Very high0 Ų059.6 Ų59.60%028%0.276CS..Hα-helixtrans-59.6-41.9174.1-164.473.564.500111.8L10 F13 F14 L58 F61 L62 A69 F70 G77L10-M73 HydrophobicContact CD1-CE 4.26Å; F13-M73 HydrophobicContact CD1-CB 3.93Å; F13-M73 HydrophobicContact CD1-CG 3.74Å; F13-M73 HydrophobicContact CE1-CB 3.94Å; F13-M73 HydrophobicContact CE1-CG 4Å; F14-M73 HydrophobicContact CB-CE 3.72Å; F14-M73 HydrophobicContact CB-SD 4.09Å; F14-M73 HydrophobicContact CD2-CE 4.09Å; F14-M73 HydrophobicContact CD2-SD 3.94Å; F14-M73 HydrophobicContact CG-CE 4.37Å; L58-M73 HydrophobicContact CB-SD 3.77Å; L58-M73 HydrophobicContact CD2-SD 4.04Å; L58-M73 HydrophobicContact CG-SD 4.33Å; F61-M73 HydrophobicContact CB-CE 3.78Å; F61-M73 HydrophobicContact CB-SD 4.28Å; F61-M73 HydrophobicContact CD2-SD 4.26Å; L62-M73 HydrophobicContact CD2-CE 3.94Å; L62-M73 HydrophobicContact CG-CE 4.33Å; A69-M73 PolarHBondContact O-N 3.5Å; F70-M73 PolarHBondContact O-N 3.12Å; M73-G77 PolarHBondContact O-N 3.23Å
74F98.3Very high96.4Very high25 Ų2556 Ų5611%0.1126%0.261CS..Hα-helixtrans-64-47.2175.9167.5-97.8000112.2F70 W71 F72 G77 F78 T131 L135 L138F70-F74 WeakPolarHBondContact O-CB 3.47Å; F70-F74 PolarHBondContact O-N 2.7Å; W71-F74 AromaticContact CE3-CD1 3.9Å; W71-F74 HydrophobicContact CE3-CD1 3.9Å; W71-F74 HydrophobicContact CE3-CE1 4.43Å; W71-F74 AromaticContact CZ3-CD1 3.98Å; W71-F74 HydrophobicContact CZ3-CD1 3.98Å; W71-F74 HydrophobicContact CZ3-CE1 4.08Å; W71-F74 WeakPolarHBondContact O-CB 3.47Å; W71-F74 PolarHBondContact O-N 3.23Å; F72-F74 VanDerWaalsContact C-N 3.3Å; F72-F74 PolarHBondContact O-N 3.05Å; F74-G77 PolarHBondContact O-N 2.97Å; F74-F78 WeakPolarHBondContact O-CB 3.37Å; F74-F78 PolarHBondContact O-N 3.36Å; F74-T131 HydrophobicContact CE2-CG2 3.67Å; F74-T131 WeakPolarHBondContact CE2-O 3.48Å; F74-T131 HydrophobicContact CZ-CG2 3.97Å; F74-L135 HydrophobicContact CE1-CD1 4.12Å; F74-L135 HydrophobicContact CE2-CB 3.89Å; F74-L135 HydrophobicContact CZ-CB 3.93Å; F74-L135 HydrophobicContact CZ-CD1 3.87Å; F74-L135 HydrophobicContact CZ-CG 4.34Å; F74-L138 HydrophobicContact CB-CD1 3.46Å; F74-L138 VanDerWaalsContact CB-CD1 3.46Å; F74-L138 HydrophobicContact CD1-CD1 4.15Å; F74-L138 HydrophobicContact CD2-CD1 3.97Å; F74-L138 HydrophobicContact CG-CD1 3.58Å
75I98.4Very high96.6Very high81 Ų8153.2 Ų53.242%0.41525%0.247SC..Hα-helixtrans-62-46.2177.9-68.2163.3000110.4W71 F72 G77 F78 L79W71-I75 VanDerWaalsContact O-CG1 3.27Å; W71-I75 WeakPolarHBondContact O-CG1 3.25Å; W71-I75 PolarHBondContact O-N 3.09Å; F72-I75 PolarHBondContact O-N 3.4Å; I75-G77 VanDerWaalsContact C-N 3.35Å; I75-G77 PolarHBondContact O-N 3.32Å; I75-F78 WeakPolarHBondContact O-CB 3.16Å; I75-F78 PolarHBondContact O-N 3.38Å; I75-L79 HydrophobicContact CG2-CD1 4.18Å; I75-L79 HydrophobicContact CG2-CG 4.48Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 2.92Å
76G98.3Very high96.9Very high5 Ų547 Ų475%0.05223%0.225CC..Hα-helixtrans-60.2-43.6176.100000112.6F72 L79 L80F72-G76 PolarHBondContact O-N 3.2Å; G76-L79 PolarHBondContact O-N 2.89Å; G76-L80 WeakPolarHBondContact O-CG 3.46Å; G76-L80 PolarHBondContact O-N 3.05Å
77G98.4Very high97.1Very high5 Ų546 Ų465%0.05222%0.215CC..Hα-helixtrans-66.4-36.7176.900000113.2M73 F74 I75 T81M73-G77 PolarHBondContact O-N 3.23Å; F74-G77 PolarHBondContact O-N 2.97Å; I75-G77 VanDerWaalsContact C-N 3.35Å; I75-G77 PolarHBondContact O-N 3.32Å; G77-T81 WeakPolarHBondContact O-CB 3.43Å; G77-T81 PolarHBondContact O-N 2.94Å; G77-T81 PolarHBondContact O-OG1 2.77Å
78F98.6Very high97.3Very high78 Ų7840.3 Ų40.334%0.34219%0.19SC..Hα-helixtrans-63.1-47172.7171.9-104000111.4F74 I75 L80 T81 F82 F128 T131F74-F78 WeakPolarHBondContact O-CB 3.37Å; F74-F78 PolarHBondContact O-N 3.36Å; I75-F78 WeakPolarHBondContact O-CB 3.16Å; I75-F78 PolarHBondContact O-N 3.38Å; F78-L80 PolarHBondContact O-N 3.34Å; F78-T81 WeakPolarHBondContact O-CB 3.39Å; F78-T81 PolarHBondContact O-N 2.88Å; F78-F82 WeakPolarHBondContact O-CB 3.28Å; F78-F82 PolarHBondContact O-N 3.19Å; F78-F128 HydrophobicContact CE2-CD1 4.43Å; F78-F128 HydrophobicContact CE2-CE1 4.11Å; F78-T131 HydrophobicContact CD2-CG2 3.84Å
79L98.5Very high97.4Very high103 Ų10333.5 Ų33.554%0.53916%0.162SC..Hα-helixtrans-62.6-41.6178.9-69.4174.3000112.3I75 G76 F82 L83I75-L79 HydrophobicContact CG2-CD1 4.18Å; I75-L79 HydrophobicContact CG2-CG 4.48Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 2.92Å; G76-L79 PolarHBondContact O-N 2.89Å; L79-F82 PolarHBondContact O-N 3.46Å; L79-L83 WeakPolarHBondContact O-CB 3.47Å; L79-L83 PolarHBondContact O-N 2.91Å
80L98.5Very high97.2Very high15 Ų1534.7 Ų34.78%0.07917%0.166CC..Hα-helixtrans-66.1-37.6174.4-71.1169.9000112.2I21 V54 V57 L58 G76 F78 L84 Y197I21-L80 HydrophobicContact CD1-CB 4.06Å; I21-L80 HydrophobicContact CD1-CD1 4.2Å; V54-L80 HydrophobicContact CB-CD1 4.43Å; V54-L80 HydrophobicContact CG1-CD1 4.11Å; V54-L80 HydrophobicContact CG2-CD1 4.37Å; V57-L80 HydrophobicContact CB-CD1 4.46Å; V57-L80 HydrophobicContact CG1-CD1 4.28Å; L58-L80 HydrophobicContact CD1-CD1 4.33Å; L58-L80 HydrophobicContact CD2-CD1 4.17Å; L58-L80 HydrophobicContact CG-CD1 3.98Å; G76-L80 WeakPolarHBondContact O-CG 3.46Å; G76-L80 PolarHBondContact O-N 3.05Å; F78-L80 PolarHBondContact O-N 3.34Å; L80-L84 PolarHBondContact O-N 3.13Å; L80-L84 VanDerWaalsContact O-N 3.13Å; L80-Y197 HydrophobicContact CB-CE1 4.11Å; L80-Y197 HydrophobicContact CD2-CD1 3.84Å; L80-Y197 HydrophobicContact CD2-CE1 3.91Å; L80-Y197 VanDerWaalsContact O-CE1 3.27Å; L80-Y197 WeakPolarHBondContact O-CE1 2.97Å; L80-Y197 PolarHBondContact O-OH 3.06Å; L80-Y197 VanDerWaalsContact O-OH 3.06Å
81T98.5Very high97Very high0 Ų034.8 Ų34.80%017%0.167CC..Hα-helixtrans-66.5-42.6174-62.70000111K24 G77 F78 L84 Y85 Y127 F128K24-T81 HydrophobicContact CD-CG2 3.93Å; K24-T81 VanDerWaalsContact NZ-CG2 3.3Å; K24-T81 PolarHBondContact NZ-OG1 3.36Å; G77-T81 WeakPolarHBondContact O-CB 3.43Å; G77-T81 PolarHBondContact O-N 2.94Å; G77-T81 PolarHBondContact O-OG1 2.77Å; F78-T81 WeakPolarHBondContact O-CB 3.39Å; F78-T81 PolarHBondContact O-N 2.88Å; T81-L84 PolarHBondContact O-N 2.9Å; T81-Y85 WeakPolarHBondContact O-CB 3.39Å; T81-Y85 PolarHBondContact O-N 3.37Å; T81-Y127 WeakPolarHBondContact CG2-O 3.3Å; T81-F128 HydrophobicContact CG2-CD1 3.89Å; T81-F128 HydrophobicContact CG2-CE1 3.79Å; T81-F128 HydrophobicContact CG2-CZ 4.36Å
82F98.1Very high96.7Very high109 Ų10930.5 Ų30.548%0.47815%0.15SC..Hα-helixtrans-64.1-42.2177.8-177.2-97.6000111.6F78 L79 L84 Y85 A86F78-F82 WeakPolarHBondContact O-CB 3.28Å; F78-F82 PolarHBondContact O-N 3.19Å; L79-F82 PolarHBondContact O-N 3.46Å; F82-L84 PolarHBondContact O-N 2.9Å; F82-Y85 PolarHBondContact O-N 3.02Å; F82-A86 VanDerWaalsContact O-CB 3.3Å; F82-A86 WeakPolarHBondContact O-CB 3.49Å; F82-A86 PolarHBondContact O-N 2.99Å
83L97.5Very high96.2Very high47 Ų4728.2 Ų28.225%0.24614%0.14CC..Hα-helixtrans-61.6-42.6175.117760.7000112.3L79 N87 Y197 T200L79-L83 WeakPolarHBondContact O-CB 3.47Å; L79-L83 PolarHBondContact O-N 2.91Å; L83-N87 PolarHBondContact O-N 2.89Å; L83-N87 VanDerWaalsContact O-N 3.15Å; L83-N87 PolarHBondContact O-ND2 2.92Å; L83-Y197 HydrophobicContact CD2-CD1 4.14Å; L83-Y197 HydrophobicContact CD2-CE1 4.48Å; L83-T200 HydrophobicContact CD2-CG2 4.16Å
84L98Very high95.7Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-61-49.2173.617670.6000110.9K24 T25 F33 L80 T81 F82 A86 N87 V88 Y127 P196 Y197K24-L84 HydrophobicContact CB-CD2 4.5Å; K24-L84 HydrophobicContact CD-CD2 4.06Å; K24-L84 HydrophobicContact CG-CD2 3.68Å; T25-L84 HydrophobicContact CG2-CD1 4.09Å; F33-L84 HydrophobicContact CE2-CD1 4.08Å; F33-L84 HydrophobicContact CZ-CD1 4.47Å; L80-L84 PolarHBondContact O-N 3.13Å; L80-L84 VanDerWaalsContact O-N 3.13Å; T81-L84 PolarHBondContact O-N 2.9Å; F82-L84 PolarHBondContact O-N 2.9Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 3.41Å; L84-N87 WeakPolarHBondContact O-CB 3.36Å; L84-N87 PolarHBondContact O-N 3.33Å; L84-N87 VanDerWaalsContact O-N 3.15Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 2.78Å; L84-Y127 HydrophobicContact CD2-CD1 4.13Å; L84-Y127 HydrophobicContact CD2-CE1 4.16Å; L84-P196 HydrophobicContact CD1-CG 3.86Å; L84-Y197 HydrophobicContact CB-CE1 4.49Å; L84-Y197 WeakPolarHBondContact CB-OH 3.48Å
85Y97.6Very high95.2Very high31 Ų3128.4 Ų28.412%0.12214%0.143CC..Hα-helixtrans-63.8-39.3-178.5179.5-115.7000112.3T81 F82 N87 V88 V89 F120 D124 Y127 F128T81-Y85 WeakPolarHBondContact O-CB 3.39Å; T81-Y85 PolarHBondContact O-N 3.37Å; F82-Y85 PolarHBondContact O-N 3.02Å; Y85-N87 VanDerWaalsContact C-N 3.28Å; Y85-N87 PolarHBondContact O-N 3.43Å; Y85-V88 WeakPolarHBondContact O-CB 3.34Å; Y85-V88 PolarHBondContact O-N 3.48Å; Y85-V88 VanDerWaalsContact O-N 3.1Å; Y85-V89 HydrophobicContact CD1-CG2 4.38Å; Y85-V89 HydrophobicContact CD2-CG2 4.24Å; Y85-V89 HydrophobicContact CE1-CG2 3.92Å; Y85-V89 HydrophobicContact CE2-CG2 3.73Å; Y85-V89 WeakPolarHBondContact O-CG2 3.18Å; Y85-V89 PolarHBondContact O-N 3.11Å; Y85-F120 HydrophobicContact CE1-CE1 4.17Å; Y85-F120 WeakPolarHBondContact OH-CD1 3.11Å; Y85-F120 WeakPolarHBondContact OH-CE1 3.38Å; Y85-D124 HydrophobicContact CE2-CB 3.59Å; Y85-D124 WeakPolarHBondContact OH-CB 3.42Å; Y85-D124 PolarHBondContact OH-OD2 3.4Å; Y85-D124 VanDerWaalsContact OH-OD2 3.05Å; Y85-Y127 AromaticContact CD2-CD2 3.74Å; Y85-Y127 HydrophobicContact CD2-CD2 3.74Å; Y85-Y127 HydrophobicContact CD2-CE2 4.28Å; Y85-Y127 HydrophobicContact CD2-CG 4.22Å; Y85-Y127 HydrophobicContact CE2-CD2 4.2Å; Y85-F128 AromaticContact CD1-CE2 3.72Å; Y85-F128 HydrophobicContact CD1-CE2 3.72Å; Y85-F128 AromaticContact CD1-CZ 3.67Å; Y85-F128 HydrophobicContact CD1-CZ 3.67Å; Y85-F128 HydrophobicContact CD2-CE2 4.09Å; Y85-F128 HydrophobicContact CE1-CE2 4.09Å; Y85-F128 HydrophobicContact CE1-CZ 4.37Å; Y85-F128 HydrophobicContact CE2-CE2 4.45Å; Y85-F128 AromaticContact CG-CE2 3.7Å; Y85-F128 HydrophobicContact CG-CE2 3.7Å; Y85-F128 AromaticContact CG-CZ 3.8Å; Y85-F128 HydrophobicContact CG-CZ 3.8Å
86A95.5Very high94.8Very high26 Ų2625.8 Ų25.822%0.21513%0.13CC..Hα-helixtrans-59.5-41.3173.800000111.2F82 L84 Y90 L98F82-A86 VanDerWaalsContact O-CB 3.3Å; F82-A86 WeakPolarHBondContact O-CB 3.49Å; F82-A86 PolarHBondContact O-N 2.99Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 3.41Å; A86-Y90 VanDerWaalsContact O-CB 3.22Å; A86-Y90 WeakPolarHBondContact O-CB 3.47Å; A86-Y90 PolarHBondContact O-N 2.85Å; A86-L98 HydrophobicContact CB-CD1 3.61Å
87N95.7Very high94.6Very high0 Ų025.6 Ų25.60%013%0.127CC..Hα-helixtrans-65.2-39.6172.8-84.3-79.6000112.5F33 L83 L84 Y85 Y90 F91 F97 L98F33-N87 HydrophobicContact CE1-CB 4.45Å; F33-N87 HydrophobicContact CZ-CB 4.01Å; L83-N87 PolarHBondContact O-N 2.89Å; L83-N87 VanDerWaalsContact O-N 3.15Å; L83-N87 PolarHBondContact O-ND2 2.92Å; L84-N87 WeakPolarHBondContact O-CB 3.36Å; L84-N87 PolarHBondContact O-N 3.33Å; L84-N87 VanDerWaalsContact O-N 3.15Å; Y85-N87 VanDerWaalsContact C-N 3.28Å; Y85-N87 PolarHBondContact O-N 3.43Å; N87-Y90 PolarHBondContact O-N 2.99Å; N87-F91 VanDerWaalsContact O-CB 3.23Å; N87-F91 WeakPolarHBondContact O-CB 3.09Å; N87-F91 PolarHBondContact O-N 2.97Å; N87-F97 HydrophobicContact CB-CD1 4.18Å; N87-L98 PolarHBondContact OD1-N 3.46Å
88V96.6Very high94.3Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-58.4-52.4175.1167.30000110.9D32 F33 L84 Y85 Y90 F91 R92 Y127D32-V88 HydrophobicContact CB-CG1 3.86Å; D32-V88 HydrophobicContact CB-CG2 4.37Å; F33-V88 HydrophobicContact CE1-CB 4.4Å; F33-V88 HydrophobicContact CE1-CG2 3.95Å; F33-V88 HydrophobicContact CE2-CG2 4.12Å; F33-V88 HydrophobicContact CZ-CB 4.34Å; F33-V88 HydrophobicContact CZ-CG2 3.51Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 2.78Å; Y85-V88 WeakPolarHBondContact O-CB 3.34Å; Y85-V88 PolarHBondContact O-N 3.48Å; Y85-V88 VanDerWaalsContact O-N 3.1Å; V88-Y90 VanDerWaalsContact C-N 3.34Å; V88-Y90 PolarHBondContact O-N 2.85Å; V88-F91 PolarHBondContact O-N 3.36Å; V88-R92 WeakPolarHBondContact O-CG 3.46Å; V88-R92 PolarHBondContact O-N 3.47Å; V88-Y127 HydrophobicContact CG1-CE2 4.14Å; V88-Y127 HydrophobicContact CG2-CE1 4.25Å; V88-Y127 HydrophobicContact CG2-CE2 4.39Å; V88-Y127 WeakPolarHBondContact CG2-OH 3.49Å
89V94Very high94Very high12 Ų1222.8 Ų22.87%0.07312%0.115CC..Hα-helixtrans-61.9-43.3179.7176.90000110.9Y85 V116 F120Y85-V89 HydrophobicContact CD1-CG2 4.38Å; Y85-V89 HydrophobicContact CD2-CG2 4.24Å; Y85-V89 HydrophobicContact CE1-CG2 3.92Å; Y85-V89 HydrophobicContact CE2-CG2 3.73Å; Y85-V89 WeakPolarHBondContact O-CG2 3.18Å; Y85-V89 PolarHBondContact O-N 3.11Å; V89-V116 HydrophobicContact CG1-CG1 4.24Å; V89-F120 HydrophobicContact CG1-CD1 4.29Å; V89-F120 HydrophobicContact CG1-CE1 4.06Å; V89-F120 HydrophobicContact CG2-CD1 3.91Å; V89-F120 HydrophobicContact CG2-CE1 3.83Å
90Y91.7Very high93.7Very high25 Ų2521.8 Ų21.810%0.09811%0.106CC..Hα-helixtrans-63.7-46178.1-176.5-95.3000112.3A86 N87 V88 R92 F93 F94 D96 F97 L98 T102 Q297A86-Y90 VanDerWaalsContact O-CB 3.22Å; A86-Y90 WeakPolarHBondContact O-CB 3.47Å; A86-Y90 PolarHBondContact O-N 2.85Å; N87-Y90 PolarHBondContact O-N 2.99Å; V88-Y90 VanDerWaalsContact C-N 3.34Å; V88-Y90 PolarHBondContact O-N 2.85Å; Y90-R92 VanDerWaalsContact C-N 3.29Å; Y90-R92 PolarHBondContact O-N 3.41Å; Y90-F93 PolarHBondContact O-N 3.21Å; Y90-F93 VanDerWaalsContact O-N 3.13Å; Y90-F94 HydrophobicContact CD1-CB 4.06Å; Y90-F94 HydrophobicContact CD1-CD2 4.13Å; Y90-F94 HydrophobicContact CD1-CG 4.37Å; Y90-F94 AromaticContact CD2-CD2 3.39Å; Y90-F94 HydrophobicContact CD2-CD2 3.39Å; Y90-F94 AromaticContact CD2-CE2 3.7Å; Y90-F94 HydrophobicContact CD2-CE2 3.7Å; Y90-F94 HydrophobicContact CD2-CG 4.29Å; Y90-F94 HydrophobicContact CE1-CB 3.63Å; Y90-F94 AromaticContact CE1-CD2 3.9Å; Y90-F94 HydrophobicContact CE1-CD2 3.9Å; Y90-F94 AromaticContact CE1-CG 3.83Å; Y90-F94 HydrophobicContact CE1-CG 3.83Å; Y90-F94 HydrophobicContact CE2-CB 4.44Å; Y90-F94 HydrophobicContact CE2-CD1 4.41Å; Y90-F94 AromaticContact CE2-CD2 3.13Å; Y90-F94 HydrophobicContact CE2-CD2 3.13Å; Y90-F94 AromaticContact CE2-CE2 3.3Å; Y90-F94 HydrophobicContact CE2-CE2 3.3Å; Y90-F94 AromaticContact CE2-CG 3.76Å; Y90-F94 HydrophobicContact CE2-CG 3.76Å; Y90-F94 HydrophobicContact CE2-CZ 4.07Å; Y90-F94 AromaticContact CG-CD2 3.89Å; Y90-F94 HydrophobicContact CG-CD2 3.89Å; Y90-F94 AromaticContact CZ-CD2 3.4Å; Y90-F94 VanDerWaalsContact CZ-CD2 3.4Å; Y90-F94 AromaticContact CZ-CE2 3.92Å; Y90-F94 AromaticContact CZ-CG 3.49Å; Y90-F94 VanDerWaalsContact CZ-CG 3.49Å; Y90-F94 PolarHBondContact O-N 2.84Å; Y90-D96 WeakPolarHBondContact CD1-O 3.32Å; Y90-F97 VanDerWaalsContact CE1-C 3.44Å; Y90-F97 WeakPolarHBondContact CE1-O 3.18Å; Y90-L98 HydrophobicContact CD1-CD2 4.11Å; Y90-L98 HydrophobicContact CD1-CG 4.05Å; Y90-L98 HydrophobicContact CD2-CD2 3.31Å; Y90-L98 HydrophobicContact CD2-CG 4.07Å; Y90-L98 HydrophobicContact CE1-CD2 4.49Å; Y90-L98 HydrophobicContact CE2-CD2 3.75Å; Y90-L98 HydrophobicContact CG-CD2 3.51Å; Y90-L98 HydrophobicContact CG-CG 3.71Å; Y90-T102 WeakPolarHBondContact OH-CG2 3.36Å; Y90-Q297 PolarHBondContact OH-NE2 3.45Å
91F92.7Very high93.2Very high3 Ų321.3 Ų21.31%0.01310%0.104CC..Hα-helixtrans-61.9-35.9-179-168.8-82.8000112.4D32 F33 N87 V88 F93 F94 S95 D96 F97 K188D32-F91 VanDerWaalsContact O-CD1 3.28Å; D32-F91 WeakPolarHBondContact O-CD1 3.33Å; D32-F91 WeakPolarHBondContact O-CE1 3.44Å; F33-F91 HydrophobicContact CD1-CB 3.73Å; F33-F91 AromaticContact CD1-CD1 3.94Å; F33-F91 HydrophobicContact CD1-CD1 3.94Å; F33-F91 AromaticContact CD1-CD2 3.86Å; F33-F91 HydrophobicContact CD1-CD2 3.86Å; F33-F91 HydrophobicContact CD1-CE2 4.49Å; F33-F91 AromaticContact CD1-CG 3.56Å; F33-F91 HydrophobicContact CD1-CG 3.56Å; F33-F91 HydrophobicContact CE1-CB 3.66Å; F33-F91 HydrophobicContact CE1-CD2 4.37Å; F33-F91 HydrophobicContact CE1-CG 4.02Å; N87-F91 VanDerWaalsContact O-CB 3.23Å; N87-F91 WeakPolarHBondContact O-CB 3.09Å; N87-F91 PolarHBondContact O-N 2.97Å; V88-F91 PolarHBondContact O-N 3.36Å; F91-F93 PolarHBondContact O-N 2.75Å; F91-F93 VanDerWaalsContact O-N 3.13Å; F91-F94 PolarHBondContact O-N 3.01Å; F91-S95 VanDerWaalsContact CE2-C 3.49Å; F91-S95 VanDerWaalsContact O-CA 3.27Å; F91-S95 WeakPolarHBondContact O-CA 3.39Å; F91-S95 PolarHBondContact O-N 3.12Å; F91-D96 VanDerWaalsContact CA-O 3.29Å; F91-D96 WeakPolarHBondContact CA-O 3.38Å; F91-D96 VanDerWaalsContact CD2-O 3.32Å; F91-D96 WeakPolarHBondContact CD2-O 3.3Å; F91-F97 HydrophobicContact CD2-CD1 4.44Å; F91-F97 HydrophobicContact CD2-CD2 4.18Å; F91-F97 HydrophobicContact CD2-CE1 4.06Å; F91-F97 AromaticContact CD2-CE2 3.77Å; F91-F97 HydrophobicContact CD2-CE2 3.77Å; F91-F97 HydrophobicContact CD2-CG 4.5Å; F91-F97 AromaticContact CD2-CZ 3.69Å; F91-F97 HydrophobicContact CD2-CZ 3.69Å; F91-F97 HydrophobicContact CE2-CD2 4.31Å; F91-F97 AromaticContact CE2-CE2 3.64Å; F91-F97 HydrophobicContact CE2-CE2 3.64Å; F91-F97 AromaticContact CE2-CZ 3.82Å; F91-F97 HydrophobicContact CE2-CZ 3.82Å; F91-K188 HydrophobicContact CE2-CD 4.05Å; F91-K188 HydrophobicContact CE2-CG 4.13Å; F91-K188 HydrophobicContact CZ-CD 4.05Å
92R92Very high92.5Very high2 Ų222.4 Ų22.41%0.00811%0.111CC..Hα-helixtrans-57.3-29177.5-71.8170.8-179.5164.32.8113.1D32 V88 Y90 S119 Y123 D124 S480 N482D32-R92 IonicContact OD1-CZ 2.73Å; D32-R92 IonicContact OD1-NE 3.34Å; D32-R92 PolarHBondContact OD1-NE 3.36Å; D32-R92 IonicContact OD1-NH2 3.85Å; D32-R92 PolarHBondContact OD1-NH2 2.93Å; D32-R92 IonicContact OD2-NH2 3.67Å; V88-R92 WeakPolarHBondContact O-CG 3.46Å; V88-R92 PolarHBondContact O-N 3.47Å; Y90-R92 VanDerWaalsContact C-N 3.29Å; Y90-R92 PolarHBondContact O-N 3.41Å; R92-S119 WeakPolarHBondContact CD-O 3.23Å; R92-S119 PolarHBondContact NH1-O 2.89Å; R92-Y123 VanDerWaalsContact NH2-CE2 3.33Å; R92-Y123 PolarHBondContact NH2-OH 3.16Å; R92-D124 IonicContact CZ-OD1 3.87Å; R92-D124 IonicContact CZ-OD2 3.92Å; R92-D124 VanDerWaalsContact NH1-CG 3.26Å; R92-D124 IonicContact NH1-OD1 2.86Å; R92-D124 PolarHBondContact NH1-OD1 2.77Å; R92-D124 IonicContact NH1-OD2 3.86Å; R92-D124 PolarHBondContact NH1-OD2 3.23Å; R92-D124 IonicContact NH2-OD1 3.83Å; R92-D124 PolarHBondContact NH2-OD1 3.33Å; R92-S480 PolarHBondContact O-OG 3.2Å; R92-N482 WeakPolarHBondContact CG-ND2 3.36Å
93F86.3Confident92Very high25 Ų2521.8 Ų21.811%0.1111%0.112CC..Hα-helixtrans-102.1-37.5177.7178.8-120.5000114.1Y90 F91 A115 K299 Y417Y90-F93 PolarHBondContact O-N 3.21Å; Y90-F93 VanDerWaalsContact O-N 3.13Å; F91-F93 PolarHBondContact O-N 2.75Å; F91-F93 VanDerWaalsContact O-N 3.13Å; F93-A115 HydrophobicContact CD1-CB 4.35Å; F93-A115 HydrophobicContact CE1-CB 4.21Å; F93-A115 HydrophobicContact CZ-CB 4.37Å; F93-K299 VanDerWaalsContact CE1-NZ 3.32Å; F93-K299 VanDerWaalsContact CE2-NZ 3.31Å; F93-K299 HydrophobicContact CZ-CD 4.42Å; F93-K299 PolarHBondContact O-NZ 2.7Å; F93-Y417 AromaticContact CD2-CD1 3.62Å; F93-Y417 HydrophobicContact CD2-CD1 3.62Å; F93-Y417 HydrophobicContact CD2-CD2 4.08Å; F93-Y417 AromaticContact CD2-CE1 3.82Å; F93-Y417 HydrophobicContact CD2-CE1 3.82Å; F93-Y417 HydrophobicContact CD2-CE2 4.29Å; F93-Y417 AromaticContact CD2-CG 3.77Å; F93-Y417 HydrophobicContact CD2-CG 3.77Å; F93-Y417 AromaticContact CE2-CD1 3.44Å; F93-Y417 HydrophobicContact CE2-CD1 3.44Å; F93-Y417 VanDerWaalsContact CE2-CD1 3.44Å; F93-Y417 HydrophobicContact CE2-CD2 4.01Å; F93-Y417 HydrophobicContact CE2-CE1 4.13Å; F93-Y417 AromaticContact CE2-CG 3.37Å; F93-Y417 HydrophobicContact CE2-CG 3.37Å; F93-Y417 HydrophobicContact CG-CE1 4.49Å; F93-Y417 HydrophobicContact CZ-CD1 4.2Å; F93-Y417 HydrophobicContact CZ-CG 4.33Å
94F86.4Confident91.2Very high18 Ų1824.8 Ų24.88%0.07913%0.128CC..Hα-helixtrans-95.9-12.9-174.8-76.2-81.9000114.6Y90 F91 D96 M112 K299 Y477Y90-F94 HydrophobicContact CD1-CB 4.06Å; Y90-F94 HydrophobicContact CD1-CD2 4.13Å; Y90-F94 HydrophobicContact CD1-CG 4.37Å; Y90-F94 AromaticContact CD2-CD2 3.39Å; Y90-F94 HydrophobicContact CD2-CD2 3.39Å; Y90-F94 AromaticContact CD2-CE2 3.7Å; Y90-F94 HydrophobicContact CD2-CE2 3.7Å; Y90-F94 HydrophobicContact CD2-CG 4.29Å; Y90-F94 HydrophobicContact CE1-CB 3.63Å; Y90-F94 AromaticContact CE1-CD2 3.9Å; Y90-F94 HydrophobicContact CE1-CD2 3.9Å; Y90-F94 AromaticContact CE1-CG 3.83Å; Y90-F94 HydrophobicContact CE1-CG 3.83Å; Y90-F94 HydrophobicContact CE2-CB 4.44Å; Y90-F94 HydrophobicContact CE2-CD1 4.41Å; Y90-F94 AromaticContact CE2-CD2 3.13Å; Y90-F94 HydrophobicContact CE2-CD2 3.13Å; Y90-F94 AromaticContact CE2-CE2 3.3Å; Y90-F94 HydrophobicContact CE2-CE2 3.3Å; Y90-F94 AromaticContact CE2-CG 3.76Å; Y90-F94 HydrophobicContact CE2-CG 3.76Å; Y90-F94 HydrophobicContact CE2-CZ 4.07Å; Y90-F94 AromaticContact CG-CD2 3.89Å; Y90-F94 HydrophobicContact CG-CD2 3.89Å; Y90-F94 AromaticContact CZ-CD2 3.4Å; Y90-F94 VanDerWaalsContact CZ-CD2 3.4Å; Y90-F94 AromaticContact CZ-CE2 3.92Å; Y90-F94 AromaticContact CZ-CG 3.49Å; Y90-F94 VanDerWaalsContact CZ-CG 3.49Å; Y90-F94 PolarHBondContact O-N 2.84Å; F91-F94 PolarHBondContact O-N 3.01Å; F94-D96 HydrophobicContact CB-CB 4.31Å; F94-D96 PolarHBondContact O-N 3.23Å; F94-D96 VanDerWaalsContact O-N 3.11Å; F94-M112 HydrophobicContact CE1-CE 4.49Å; F94-M112 HydrophobicContact CE2-CE 3.8Å; F94-M112 HydrophobicContact CZ-CE 3.36Å; F94-K299 HydrophobicContact CD1-CD 4.31Å; F94-K299 HydrophobicContact CE1-CD 4Å; F94-K299 HydrophobicContact CE1-CG 4.33Å; F94-Y477 VanDerWaalsContact C-OH 3.26Å; F94-Y477 PolarHBondContact O-OH 2.83Å
95S88.4Confident90.2Very high12 Ų1225.7 Ų25.78%0.08413%0.132CC..SBendtrans5028.7-168.2-46.50000113F91 S480 E481F91-S95 VanDerWaalsContact CE2-C 3.49Å; F91-S95 VanDerWaalsContact O-CA 3.27Å; F91-S95 WeakPolarHBondContact O-CA 3.39Å; F91-S95 PolarHBondContact O-N 3.12Å; S95-S480 WeakPolarHBondContact OG-CB 3.43Å; S95-E481 PolarHBondContact OG-N 3.43Å
96D90.6Very high88.8Confident26 Ų2629.4 Ų29.414%0.13916%0.158CC..SBendtrans-150.5176.4-173.9-165.812.5000110Y90 F91 F94 H187 Q297Y90-D96 WeakPolarHBondContact CD1-O 3.32Å; F91-D96 VanDerWaalsContact CA-O 3.29Å; F91-D96 WeakPolarHBondContact CA-O 3.38Å; F91-D96 VanDerWaalsContact CD2-O 3.32Å; F91-D96 WeakPolarHBondContact CD2-O 3.3Å; F94-D96 HydrophobicContact CB-CB 4.31Å; F94-D96 PolarHBondContact O-N 3.23Å; F94-D96 VanDerWaalsContact O-N 3.11Å; D96-H187 WeakPolarHBondContact OD1-CB 3.24Å; D96-H187 IonicContact OD1-CG 3.19Å; D96-H187 IonicContact OD1-ND1 3.94Å; D96-H187 PolarHBondContact OD1-ND1 2.81Å; D96-H187 IonicContact OD2-CE1 2.75Å; D96-H187 IonicContact OD2-ND1 2.94Å; D96-H187 PolarHBondContact OD2-ND1 3.15Å; D96-H187 VanDerWaalsContact OD2-ND1 3.11Å; D96-Q297 VanDerWaalsContact OD2-CG 3.27Å; D96-Q297 WeakPolarHBondContact OD2-CG 3.34Å; D96-Q297 PolarHBondContact OD2-NE2 3.2Å
97F93.2Very high87.3Confident0 Ų031 Ų310%018%0.177CC..  trans-108.2154.8-173.9-67.1-84.6000113.5F33 L35 N87 Y90 F91 T99 H187 K188 V191 F199 Q297F33-F97 HydrophobicContact CB-CZ 4.28Å; F33-F97 AromaticContact CD1-CE1 3.66Å; F33-F97 HydrophobicContact CD1-CE1 3.66Å; F33-F97 AromaticContact CD1-CZ 3.85Å; F33-F97 HydrophobicContact CD1-CZ 3.85Å; F33-F97 HydrophobicContact CD2-CE1 4.14Å; F33-F97 HydrophobicContact CD2-CZ 4.36Å; F33-F97 HydrophobicContact CE1-CD1 4.33Å; F33-F97 AromaticContact CE1-CE1 3.52Å; F33-F97 HydrophobicContact CE1-CE1 3.52Å; F33-F97 HydrophobicContact CE1-CZ 4.2Å; F33-F97 AromaticContact CE2-CE1 4Å; F33-F97 HydrophobicContact CE2-CE1 4Å; F33-F97 AromaticContact CG-CE1 3.96Å; F33-F97 HydrophobicContact CG-CE1 3.96Å; F33-F97 AromaticContact CG-CZ 3.93Å; F33-F97 HydrophobicContact CG-CZ 3.93Å; F33-F97 HydrophobicContact CZ-CD1 4.48Å; F33-F97 AromaticContact CZ-CE1 3.7Å; F33-F97 HydrophobicContact CZ-CE1 3.7Å; L35-F97 HydrophobicContact CD2-CE2 4.13Å; L35-F97 HydrophobicContact CD2-CZ 3.98Å; N87-F97 HydrophobicContact CB-CD1 4.18Å; Y90-F97 VanDerWaalsContact CE1-C 3.44Å; Y90-F97 WeakPolarHBondContact CE1-O 3.18Å; F91-F97 HydrophobicContact CD2-CD1 4.44Å; F91-F97 HydrophobicContact CD2-CD2 4.18Å; F91-F97 HydrophobicContact CD2-CE1 4.06Å; F91-F97 AromaticContact CD2-CE2 3.77Å; F91-F97 HydrophobicContact CD2-CE2 3.77Å; F91-F97 HydrophobicContact CD2-CG 4.5Å; F91-F97 AromaticContact CD2-CZ 3.69Å; F91-F97 HydrophobicContact CD2-CZ 3.69Å; F91-F97 HydrophobicContact CE2-CD2 4.31Å; F91-F97 AromaticContact CE2-CE2 3.64Å; F91-F97 HydrophobicContact CE2-CE2 3.64Å; F91-F97 AromaticContact CE2-CZ 3.82Å; F91-F97 HydrophobicContact CE2-CZ 3.82Å; F97-T99 PolarHBondContact O-N 3.4Å; F97-H187 HydrophobicContact CD2-CB 4.28Å; F97-K188 HydrophobicContact CE2-CG 4.17Å; F97-V191 HydrophobicContact CB-CG2 4.31Å; F97-V191 HydrophobicContact CD1-CB 4.47Å; F97-V191 HydrophobicContact CD1-CG1 4.3Å; F97-V191 HydrophobicContact CD1-CG2 3.81Å; F97-V191 HydrophobicContact CD2-CB 4.09Å; F97-V191 HydrophobicContact CD2-CG2 3.59Å; F97-V191 HydrophobicContact CE1-CB 4.15Å; F97-V191 HydrophobicContact CE1-CG1 3.66Å; F97-V191 HydrophobicContact CE1-CG2 4Å; F97-V191 HydrophobicContact CE2-CB 3.74Å; F97-V191 HydrophobicContact CE2-CG1 4.04Å; F97-V191 HydrophobicContact CE2-CG2 3.79Å; F97-V191 HydrophobicContact CG-CB 4.44Å; F97-V191 HydrophobicContact CG-CG2 3.61Å; F97-V191 HydrophobicContact CZ-CB 3.79Å; F97-V191 HydrophobicContact CZ-CG1 3.52Å; F97-V191 HydrophobicContact CZ-CG2 3.99Å; F97-F199 HydrophobicContact CB-CD1 4.1Å; F97-F199 HydrophobicContact CB-CE1 3.5Å; F97-F199 VanDerWaalsContact CB-CE1 3.5Å; F97-F199 HydrophobicContact CB-CZ 4.1Å; F97-F199 HydrophobicContact CG-CE1 4.48Å; F97-Q297 PolarHBondContact O-NE2 3.16Å
98L92.1Very high86.1Confident24 Ų2431.3 Ų31.313%0.12618%0.179CC..  trans-64.4132.3178.4-74.8169.2000110.8A86 N87 Y90 L103 F199A86-L98 HydrophobicContact CB-CD1 3.61Å; N87-L98 PolarHBondContact OD1-N 3.46Å; Y90-L98 HydrophobicContact CD1-CD2 4.11Å; Y90-L98 HydrophobicContact CD1-CG 4.05Å; Y90-L98 HydrophobicContact CD2-CD2 3.31Å; Y90-L98 HydrophobicContact CD2-CG 4.07Å; Y90-L98 HydrophobicContact CE1-CD2 4.49Å; Y90-L98 HydrophobicContact CE2-CD2 3.75Å; Y90-L98 HydrophobicContact CG-CD2 3.51Å; Y90-L98 HydrophobicContact CG-CG 3.71Å; L98-L103 HydrophobicContact CD2-CD2 4.2Å; L98-F199 WeakPolarHBondContact O-CE1 3.4Å
99T92.6Very high84.6Confident1 Ų135.5 Ų35.51%0.00621%0.205CC..  trans-115.4154.3172.262.80000110.2F97 S101 T102 L103 F199 D203 Q297 Q316F97-T99 PolarHBondContact O-N 3.4Å; T99-S101 PolarHBondContact O-N 2.97Å; T99-S101 WeakPolarHBondContact OG1-CB 3.25Å; T99-T102 PolarHBondContact N-OG1 3.46Å; T99-T102 PolarHBondContact O-N 3.01Å; T99-T102 PolarHBondContact O-OG1 3.48Å; T99-T102 WeakPolarHBondContact OG1-CG2 3.39Å; T99-T102 PolarHBondContact OG1-N 3.12Å; T99-T102 VanDerWaalsContact OG1-N 3.11Å; T99-T102 PolarHBondContact OG1-OG1 2.76Å; T99-L103 WeakPolarHBondContact O-CG 3.44Å; T99-L103 PolarHBondContact O-N 3.26Å; T99-F199 HydrophobicContact CG2-CZ 4.21Å; T99-D203 WeakPolarHBondContact CA-OD2 3.44Å; T99-D203 VanDerWaalsContact CB-OD1 3.29Å; T99-D203 WeakPolarHBondContact CB-OD1 3.43Å; T99-D203 WeakPolarHBondContact CB-OD2 3.31Å; T99-D203 WeakPolarHBondContact CG2-OD1 3.41Å; T99-Q297 PolarHBondContact OG1-OE1 3.41Å; T99-Q316 HydrophobicContact CG2-CB 3.88Å
100F91.2Very high83.1Confident81 Ų8143.8 Ų43.836%0.35524%0.242SC..Hα-helixtrans-57.3-34.5171.5-78.8-78.2000111.7L103 N104 T200 D203 G204 T207F100-L103 PolarHBondContact O-N 3.02Å; F100-N104 WeakPolarHBondContact O-CB 3.47Å; F100-N104 VanDerWaalsContact O-CG 3.3Å; F100-N104 PolarHBondContact O-N 3.44Å; F100-N104 PolarHBondContact O-ND2 2.84Å; F100-N104 VanDerWaalsContact O-ND2 3.16Å; F100-T200 HydrophobicContact CE2-CG2 4.05Å; F100-T200 VanDerWaalsContact CE2-O 3.3Å; F100-T200 WeakPolarHBondContact CE2-O 3.28Å; F100-T200 HydrophobicContact CZ-CG2 4.22Å; F100-D203 WeakPolarHBondContact CD2-OD2 3.33Å; F100-D203 PolarHBondContact N-OD2 3.49Å; F100-G204 VanDerWaalsContact CE2-CA 3.43Å; F100-T207 HydrophobicContact CB-CG2 4.12Å
101S87.9Confident81.6Confident5 Ų544.4 Ų44.44%0.03525%0.251CS..Hα-helixtrans-51.9-54.7168.2-85.10000111.7T99 L103 N104 Q105 Q316 L322T99-S101 PolarHBondContact O-N 2.97Å; T99-S101 WeakPolarHBondContact OG1-CB 3.25Å; S101-L103 PolarHBondContact O-N 2.86Å; S101-N104 PolarHBondContact O-N 3.1Å; S101-Q105 WeakPolarHBondContact O-CG 3.31Å; S101-Q105 PolarHBondContact O-N 2.94Å; S101-Q316 WeakPolarHBondContact CB-O 3.36Å; S101-Q316 PolarHBondContact OG-NE2 3.04Å; S101-Q316 PolarHBondContact OG-O 2.9Å; S101-L322 WeakPolarHBondContact OG-CD1 3.39Å
102T85.5Confident80.4Confident23 Ų2346.8 Ų46.814%0.14126%0.262CS..Hα-helixtrans-64.2-37.8179.855.90000113.4Y90 T99 N104 Q105 Q297Y90-T102 WeakPolarHBondContact OH-CG2 3.36Å; T99-T102 PolarHBondContact N-OG1 3.46Å; T99-T102 PolarHBondContact O-N 3.01Å; T99-T102 PolarHBondContact O-OG1 3.48Å; T99-T102 WeakPolarHBondContact OG1-CG2 3.39Å; T99-T102 PolarHBondContact OG1-N 3.12Å; T99-T102 VanDerWaalsContact OG1-N 3.11Å; T99-T102 PolarHBondContact OG1-OG1 2.76Å; T102-N104 VanDerWaalsContact C-N 3.28Å; T102-N104 PolarHBondContact O-N 3.35Å; T102-Q105 PolarHBondContact O-N 3.26Å; T102-Q297 HydrophobicContact CG2-CB 4.1Å; T102-Q297 HydrophobicContact CG2-CG 4.46Å
103L86.5Confident79.4Confident96 Ų9648.4 Ų48.450%0.50328%0.28SS..Hα-helixtrans-65.4-32.1177.8-66.7175.6000112.5L98 T99 F100 S101 Q105L98-L103 HydrophobicContact CD2-CD2 4.2Å; T99-L103 WeakPolarHBondContact O-CG 3.44Å; T99-L103 PolarHBondContact O-N 3.26Å; F100-L103 PolarHBondContact O-N 3.02Å; S101-L103 PolarHBondContact O-N 2.86Å; L103-Q105 VanDerWaalsContact C-N 3.3Å; L103-Q105 PolarHBondContact O-N 3.05Å
104N80.3Confident79Confident110 Ų11048.7 Ų48.759%0.58829%0.289SS*.Hα-helixtrans-79.7-8.4178.1-72.1-30.2000113.5F100 S101 T102 V106F100-N104 WeakPolarHBondContact O-CB 3.47Å; F100-N104 VanDerWaalsContact O-CG 3.3Å; F100-N104 PolarHBondContact O-N 3.44Å; F100-N104 PolarHBondContact O-ND2 2.84Å; F100-N104 VanDerWaalsContact O-ND2 3.16Å; S101-N104 PolarHBondContact O-N 3.1Å; T102-N104 VanDerWaalsContact C-N 3.28Å; T102-N104 PolarHBondContact O-N 3.35Å; N104-V106 PolarHBondContact O-N 2.62Å
105Q78.1Confident78.7Confident19 Ų1948.2 Ų48.29%0.08929%0.289CS..  trans-82.952.5177.9-66.5176-90.700112.2S101 T102 L103 G107 N108 S321S101-Q105 WeakPolarHBondContact O-CG 3.31Å; S101-Q105 PolarHBondContact O-N 2.94Å; T102-Q105 PolarHBondContact O-N 3.26Å; L103-Q105 VanDerWaalsContact C-N 3.3Å; L103-Q105 PolarHBondContact O-N 3.05Å; Q105-G107 PolarHBondContact O-N 2.68Å; Q105-G107 VanDerWaalsContact O-N 3.08Å; Q105-N108 PolarHBondContact O-N 3.44Å; Q105-S321 PolarHBondContact NE2-OG 2.87Å
106V66.6Low78.6Confident109 Ų10950.8 Ų50.866%0.66130%0.304SS*.G310 helixtrans-57.2-27-173.8-66.90000114.3N104 N108 V109N104-V106 PolarHBondContact O-N 2.62Å; V106-N108 PolarHBondContact O-N 2.81Å; V106-N108 VanDerWaalsContact O-N 3.1Å; V106-V109 WeakPolarHBondContact O-CB 3.41Å; V106-V109 WeakPolarHBondContact O-CG2 3.45Å; V106-V109 PolarHBondContact O-N 3.21Å; V106-V109 VanDerWaalsContact O-N 3.16Å
107G65.5Low78.4Confident60 Ų6052.9 Ų52.962%0.61932%0.321SS*.G310 helixtrans-62.8-15.1179.600000114.8Q105Q105-G107 PolarHBondContact O-N 2.68Å; Q105-G107 VanDerWaalsContact O-N 3.08Å
108N69.6Low78.2Confident6 Ų654.5 Ų54.53%0.03233%0.334CS..G310 helixtrans-100.5-6.5180-61.7-27.9000113.3Q105 V106 E110 S111 M112 F353 W354Q105-N108 PolarHBondContact O-N 3.44Å; V106-N108 PolarHBondContact O-N 2.81Å; V106-N108 VanDerWaalsContact O-N 3.1Å; N108-E110 PolarHBondContact O-N 3.46Å; N108-S111 PolarHBondContact O-N 2.79Å; N108-M112 HydrophobicContact CB-CG 4.49Å; N108-M112 HydrophobicContact CB-SD 4.06Å; N108-M112 WeakPolarHBondContact O-CB 3.42Å; N108-M112 WeakPolarHBondContact O-CG 3.45Å; N108-M112 PolarHBondContact O-N 3.1Å; N108-F353 HydrophobicContact CB-CE2 3.92Å; N108-W354 WeakPolarHBondContact ND2-CZ3 3.48Å; N108-W354 PolarHBondContact OD1-N 3.06Å; N108-W354 VanDerWaalsContact OD1-N 3.11Å
109V66.2Low78.1Confident89 Ų8953.6 Ų53.654%0.53933%0.33SS..Hα-helixtrans-64.3-41.1-168.1172.20000113V106 M112 G113V106-V109 WeakPolarHBondContact O-CB 3.41Å; V106-V109 WeakPolarHBondContact O-CG2 3.45Å; V106-V109 PolarHBondContact O-N 3.21Å; V106-V109 VanDerWaalsContact O-N 3.16Å; V109-M112 PolarHBondContact O-N 3.4Å; V109-G113 PolarHBondContact O-N 3.27Å
110E61.2Low78.1Confident185 Ų18558.3 Ų58.386%0.86435%0.35SS*.Hα-helixtrans-62.5-47.8-178.9-172.9175.2-179.500111.2N108 M112 G113N108-E110 PolarHBondContact O-N 3.46Å; E110-M112 VanDerWaalsContact C-N 3.27Å; E110-M112 PolarHBondContact O-N 2.93Å; E110-G113 PolarHBondContact O-N 2.94Å
111S60.9Low78.1Confident39 Ų3957.3 Ų57.327%0.27335%0.346SS..Hα-helixtrans-63.8-30.3174.9-54.70000113.1N108 G113 F353 L384N108-S111 PolarHBondContact O-N 2.79Å; S111-G113 VanDerWaalsContact C-N 3.33Å; S111-F353 WeakPolarHBondContact OG-CD2 3.28Å; S111-L384 VanDerWaalsContact CB-CD1 3.47Å
112M67.2Low78.4Confident52 Ų5267.4 Ų67.426%0.25638%0.383SS..Hα-helixtrans-76.5-15.5177-73.8175.3128.100113.5F94 N108 V109 E110 G114 A115 V116F94-M112 HydrophobicContact CE1-CE 4.49Å; F94-M112 HydrophobicContact CE2-CE 3.8Å; F94-M112 HydrophobicContact CZ-CE 3.36Å; N108-M112 HydrophobicContact CB-CG 4.49Å; N108-M112 HydrophobicContact CB-SD 4.06Å; N108-M112 WeakPolarHBondContact O-CB 3.42Å; N108-M112 WeakPolarHBondContact O-CG 3.45Å; N108-M112 PolarHBondContact O-N 3.1Å; V109-M112 PolarHBondContact O-N 3.4Å; E110-M112 VanDerWaalsContact C-N 3.27Å; E110-M112 PolarHBondContact O-N 2.93Å; M112-G114 VanDerWaalsContact C-N 3.33Å; M112-G114 PolarHBondContact O-N 3.15Å; M112-A115 CarbonylContact O-C 3.54Å; M112-A115 WeakPolarHBondContact O-CA 3.17Å; M112-A115 WeakPolarHBondContact O-CB 3.49Å; M112-A115 PolarHBondContact O-N 3.49Å; M112-V116 WeakPolarHBondContact O-CG2 3.36Å; M112-V116 PolarHBondContact O-N 2.94Å
113G71.5Confident78.8Confident37 Ų3768.5 Ų68.538%0.38139%0.385SS..Hα-helixtrans-57.5-41.6-175.800000113.7V109 E110 S111 V116 S117V109-G113 PolarHBondContact O-N 3.27Å; E110-G113 PolarHBondContact O-N 2.94Å; S111-G113 VanDerWaalsContact C-N 3.33Å; G113-V116 PolarHBondContact O-N 3.15Å; G113-S117 WeakPolarHBondContact O-CB 3.48Å; G113-S117 PolarHBondContact O-N 3.3Å; G113-S117 PolarHBondContact O-OG 3.37Å; G113-S117 VanDerWaalsContact O-OG 3.13Å
114G77Confident79.2Confident30 Ų3064.3 Ų64.331%0.30936%0.363SS..Hα-helixtrans-61.3-43.2173.100000112.4M112 S117 A118M112-G114 VanDerWaalsContact C-N 3.33Å; M112-G114 PolarHBondContact O-N 3.15Å; G114-S117 PolarHBondContact O-OG 3.34Å; G114-A118 WeakPolarHBondContact O-CB 3.16Å; G114-A118 PolarHBondContact O-N 3.08Å; G114-A118 VanDerWaalsContact O-N 3.13Å
115A80.6Confident79.9Confident8 Ų864.6 Ų64.67%0.06636%0.36CS..Hα-helixtrans-67.7-41177.300000112.8F93 M112 A118 S119 Y417F93-A115 HydrophobicContact CD1-CB 4.35Å; F93-A115 HydrophobicContact CE1-CB 4.21Å; F93-A115 HydrophobicContact CZ-CB 4.37Å; M112-A115 CarbonylContact O-C 3.54Å; M112-A115 WeakPolarHBondContact O-CA 3.17Å; M112-A115 WeakPolarHBondContact O-CB 3.49Å; M112-A115 PolarHBondContact O-N 3.49Å; A115-A118 PolarHBondContact O-N 3.12Å; A115-S119 PolarHBondContact O-N 3.45Å; A115-S119 PolarHBondContact O-OG 3.34Å; A115-Y417 HydrophobicContact CB-CD1 3.68Å; A115-Y417 HydrophobicContact CB-CE1 3.89Å; A115-Y417 WeakPolarHBondContact O-CE1 3.3Å
116V85.9Confident80.8Confident66 Ų6666.1 Ų66.140%0.437%0.37SS..Hα-helixtrans-63.3-47.6176.9171.90000110.5V89 M112 G113 A118 S119 F120V89-V116 HydrophobicContact CG1-CG1 4.24Å; M112-V116 WeakPolarHBondContact O-CG2 3.36Å; M112-V116 PolarHBondContact O-N 2.94Å; G113-V116 PolarHBondContact O-N 3.15Å; V116-A118 VanDerWaalsContact C-N 3.35Å; V116-A118 PolarHBondContact O-N 3.47Å; V116-S119 WeakPolarHBondContact O-CB 3.47Å; V116-S119 PolarHBondContact O-N 3.06Å; V116-F120 HydrophobicContact CG1-CE2 4.33Å; V116-F120 HydrophobicContact CG1-CZ 3.97Å
117S86.8Confident82.3Confident70 Ų7061 Ų6149%0.4934%0.339SS..Hα-helixtrans-61.9-41.1179.961.80000112.7G113 G114 S119 F120G113-S117 WeakPolarHBondContact O-CB 3.48Å; G113-S117 PolarHBondContact O-N 3.3Å; G113-S117 PolarHBondContact O-OG 3.37Å; G113-S117 VanDerWaalsContact O-OG 3.13Å; G114-S117 PolarHBondContact O-OG 3.34Å; S117-S119 PolarHBondContact O-N 3.42Å; S117-F120 WeakPolarHBondContact O-CD2 3.4Å; S117-F120 PolarHBondContact O-N 3.44Å
118A88Confident83.8Confident34 Ų3460 Ų6028%0.28132%0.318SS..Hα-helixtrans-68.8-16.1176.300000113.8G114 A115 V116 Y417 P418G114-A118 WeakPolarHBondContact O-CB 3.16Å; G114-A118 PolarHBondContact O-N 3.08Å; G114-A118 VanDerWaalsContact O-N 3.13Å; A115-A118 PolarHBondContact O-N 3.12Å; V116-A118 VanDerWaalsContact C-N 3.35Å; V116-A118 PolarHBondContact O-N 3.47Å; A118-Y417 VanDerWaalsContact C-OH 3.29Å; A118-Y417 HydrophobicContact CB-CE1 3.76Å; A118-Y417 WeakPolarHBondContact CB-OH 3.4Å; A118-Y417 PolarHBondContact O-OH 3.28Å; A118-P418 HydrophobicContact CB-CB 3.73Å; A118-P418 HydrophobicContact CB-CG 4.21Å
119S90.3Very high85.2Confident5 Ų563.6 Ų63.64%0.03534%0.336CS..THydrogen-bonded Turntrans-85.6-11.2177.1-59.40000113.5R92 A115 V116 S117R92-S119 WeakPolarHBondContact CD-O 3.23Å; R92-S119 PolarHBondContact NH1-O 2.89Å; A115-S119 PolarHBondContact O-N 3.45Å; A115-S119 PolarHBondContact O-OG 3.34Å; V116-S119 WeakPolarHBondContact O-CB 3.47Å; V116-S119 PolarHBondContact O-N 3.06Å; S117-S119 PolarHBondContact O-N 3.42Å
120F92.9Very high86.7Confident100 Ų10060.2 Ų60.244%0.43932%0.315SS..  trans-69.8144.4173.5-64.5-47.9000111.8Y85 V89 V116 S117 D124Y85-F120 HydrophobicContact CE1-CE1 4.17Å; Y85-F120 WeakPolarHBondContact OH-CD1 3.11Å; Y85-F120 WeakPolarHBondContact OH-CE1 3.38Å; V89-F120 HydrophobicContact CG1-CD1 4.29Å; V89-F120 HydrophobicContact CG1-CE1 4.06Å; V89-F120 HydrophobicContact CG2-CD1 3.91Å; V89-F120 HydrophobicContact CG2-CE1 3.83Å; V116-F120 HydrophobicContact CG1-CE2 4.33Å; V116-F120 HydrophobicContact CG1-CZ 3.97Å; S117-F120 WeakPolarHBondContact O-CD2 3.4Å; S117-F120 PolarHBondContact O-N 3.44Å; F120-D124 WeakPolarHBondContact CA-OD2 3.43Å
121K92.1Very high88.4Confident61 Ų6152 Ų5227%0.26528%0.277SS..  trans-124.1149.6177.4-60.7-65.1-175.9-175.60109.7Y123 D124K121-Y123 HydrophobicContact CB-CD1 4Å; K121-Y123 HydrophobicContact CB-CE1 3.66Å; K121-Y123 HydrophobicContact CB-CE2 4.28Å; K121-Y123 HydrophobicContact CB-CG 4.45Å; K121-Y123 HydrophobicContact CG-CE1 4.08Å; K121-Y123 PolarHBondContact O-N 3.34Å; K121-Y123 VanDerWaalsContact O-N 3.09Å; K121-D124 PolarHBondContact N-OD2 3.03Å; K121-D124 VanDerWaalsContact O-CB 3.25Å; K121-D124 WeakPolarHBondContact O-CB 3.45Å; K121-D124 PolarHBondContact O-N 2.83Å
122W92.7Very high90.2Very high216 Ų21655.3 Ų55.382%0.81829%0.291SS*.THydrogen-bonded Turntrans-59.9-26-176.570.7-94.1000113.5D124 F125W122-D124 VanDerWaalsContact C-N 3.35Å; W122-F125 HydrophobicContact CE3-CE1 4.26Å; W122-F125 HydrophobicContact CZ3-CE1 4.2Å; W122-F125 VanDerWaalsContact O-CD1 3.26Å; W122-F125 WeakPolarHBondContact O-CD1 3.4Å
123Y93.9Very high91.6Very high46 Ų4656.3 Ų56.318%0.1830%0.3CS..THydrogen-bonded Turntrans-86.80.1-179.661.4-104.3000113.8V31 D32 R92 K121 F125 V126V31-Y123 HydrophobicContact CG1-CE2 4.05Å; D32-Y123 PolarHBondContact OD1-OH 3.48Å; R92-Y123 VanDerWaalsContact NH2-CE2 3.33Å; R92-Y123 PolarHBondContact NH2-OH 3.16Å; K121-Y123 HydrophobicContact CB-CD1 4Å; K121-Y123 HydrophobicContact CB-CE1 3.66Å; K121-Y123 HydrophobicContact CB-CE2 4.28Å; K121-Y123 HydrophobicContact CB-CG 4.45Å; K121-Y123 HydrophobicContact CG-CE1 4.08Å; K121-Y123 PolarHBondContact O-N 3.34Å; K121-Y123 VanDerWaalsContact O-N 3.09Å; Y123-F125 PolarHBondContact O-N 3.35Å; Y123-V126 VanDerWaalsContact O-CB 3.31Å; Y123-V126 WeakPolarHBondContact O-CB 3.36Å; Y123-V126 VanDerWaalsContact O-CG2 3.25Å; Y123-V126 WeakPolarHBondContact O-CG2 3.3Å; Y123-V126 PolarHBondContact O-N 2.58Å
124D96.1Very high92.9Very high8 Ų855.5 Ų55.54%0.04329%0.286CS..G310 helixtrans-60-23.1-175.8-75.1-15000113.7Y85 R92 F120 K121 W122 V126 Y127Y85-D124 HydrophobicContact CE2-CB 3.59Å; Y85-D124 WeakPolarHBondContact OH-CB 3.42Å; Y85-D124 PolarHBondContact OH-OD2 3.4Å; Y85-D124 VanDerWaalsContact OH-OD2 3.05Å; R92-D124 IonicContact CZ-OD1 3.87Å; R92-D124 IonicContact CZ-OD2 3.92Å; R92-D124 VanDerWaalsContact NH1-CG 3.26Å; R92-D124 IonicContact NH1-OD1 2.86Å; R92-D124 PolarHBondContact NH1-OD1 2.77Å; R92-D124 IonicContact NH1-OD2 3.86Å; R92-D124 PolarHBondContact NH1-OD2 3.23Å; R92-D124 IonicContact NH2-OD1 3.83Å; R92-D124 PolarHBondContact NH2-OD1 3.33Å; F120-D124 WeakPolarHBondContact CA-OD2 3.43Å; K121-D124 PolarHBondContact N-OD2 3.03Å; K121-D124 VanDerWaalsContact O-CB 3.25Å; K121-D124 WeakPolarHBondContact O-CB 3.45Å; K121-D124 PolarHBondContact O-N 2.83Å; W122-D124 VanDerWaalsContact C-N 3.35Å; D124-V126 PolarHBondContact O-N 3.47Å; D124-V126 VanDerWaalsContact O-N 3.1Å; D124-Y127 WeakPolarHBondContact O-CD2 3.41Å; D124-Y127 PolarHBondContact O-N 2.94Å
125F95.5Very high93.9Very high117 Ų11756.9 Ų56.951%0.51329%0.286SS..G310 helixtrans-58.5-23.217476.2-89000113.1W122 Y123 Y127 F128 I129W122-F125 HydrophobicContact CE3-CE1 4.26Å; W122-F125 HydrophobicContact CZ3-CE1 4.2Å; W122-F125 VanDerWaalsContact O-CD1 3.26Å; W122-F125 WeakPolarHBondContact O-CD1 3.4Å; Y123-F125 PolarHBondContact O-N 3.35Å; F125-Y127 PolarHBondContact O-N 3.42Å; F125-F128 PolarHBondContact O-N 2.86Å; F125-I129 HydrophobicContact CD2-CD1 4.45Å; F125-I129 HydrophobicContact CD2-CG1 4.31Å; F125-I129 HydrophobicContact CE2-CD1 4.25Å; F125-I129 PolarHBondContact O-N 3.22Å
126V96.1Very high94.7Very high51 Ų5161.2 Ų61.231%0.30930%0.303SS..G310 helixtrans-57.8-36.1179.1172.30000111.6Y123 D124 F128 I129Y123-V126 VanDerWaalsContact O-CB 3.31Å; Y123-V126 WeakPolarHBondContact O-CB 3.36Å; Y123-V126 VanDerWaalsContact O-CG2 3.25Å; Y123-V126 WeakPolarHBondContact O-CG2 3.3Å; Y123-V126 PolarHBondContact O-N 2.58Å; D124-V126 PolarHBondContact O-N 3.47Å; D124-V126 VanDerWaalsContact O-N 3.1Å; V126-F128 PolarHBondContact O-N 3.05Å; V126-F128 VanDerWaalsContact O-N 3.16Å; V126-I129 HydrophobicContact CB-CD1 4.34Å; V126-I129 HydrophobicContact CG1-CD1 4.35Å; V126-I129 HydrophobicContact CG2-CD1 4.29Å; V126-I129 PolarHBondContact O-N 2.92Å
127Y97.9Very high95.2Very high0 Ų058.9 Ų58.90%029%0.288CS..G310 helixtrans-61.9-23.2177.3-71.4-72.9000113.7K24 F27 S28 D32 T81 L84 Y85 V88 D124 F125K24-Y127 HydrophobicContact CB-CD1 4.11Å; K24-Y127 HydrophobicContact CD-CD1 4.36Å; K24-Y127 WeakPolarHBondContact CD-O 3.11Å; K24-Y127 WeakPolarHBondContact CE-O 3.48Å; K24-Y127 HydrophobicContact CG-CD1 4.43Å; K24-Y127 PolarHBondContact NZ-O 2.76Å; F27-Y127 HydrophobicContact CD1-CE1 4.22Å; S28-Y127 WeakPolarHBondContact CB-OH 3.26Å; D32-Y127 PolarHBondContact OD2-OH 3.36Å; T81-Y127 WeakPolarHBondContact CG2-O 3.3Å; L84-Y127 HydrophobicContact CD2-CD1 4.13Å; L84-Y127 HydrophobicContact CD2-CE1 4.16Å; Y85-Y127 AromaticContact CD2-CD2 3.74Å; Y85-Y127 HydrophobicContact CD2-CD2 3.74Å; Y85-Y127 HydrophobicContact CD2-CE2 4.28Å; Y85-Y127 HydrophobicContact CD2-CG 4.22Å; Y85-Y127 HydrophobicContact CE2-CD2 4.2Å; V88-Y127 HydrophobicContact CG1-CE2 4.14Å; V88-Y127 HydrophobicContact CG2-CE1 4.25Å; V88-Y127 HydrophobicContact CG2-CE2 4.39Å; V88-Y127 WeakPolarHBondContact CG2-OH 3.49Å; D124-Y127 WeakPolarHBondContact O-CD2 3.41Å; D124-Y127 PolarHBondContact O-N 2.94Å; F125-Y127 PolarHBondContact O-N 3.42Å
128F98.2Very high95.7Very high40 Ų4055.8 Ų55.818%0.17527%0.266CS..G310 helixtrans-110.64.5-172.4-62.1-84.2000113.5F78 T81 Y85 F125 V126 D130 T131 L132F78-F128 HydrophobicContact CE2-CD1 4.43Å; F78-F128 HydrophobicContact CE2-CE1 4.11Å; T81-F128 HydrophobicContact CG2-CD1 3.89Å; T81-F128 HydrophobicContact CG2-CE1 3.79Å; T81-F128 HydrophobicContact CG2-CZ 4.36Å; Y85-F128 AromaticContact CD1-CE2 3.72Å; Y85-F128 HydrophobicContact CD1-CE2 3.72Å; Y85-F128 AromaticContact CD1-CZ 3.67Å; Y85-F128 HydrophobicContact CD1-CZ 3.67Å; Y85-F128 HydrophobicContact CD2-CE2 4.09Å; Y85-F128 HydrophobicContact CE1-CE2 4.09Å; Y85-F128 HydrophobicContact CE1-CZ 4.37Å; Y85-F128 HydrophobicContact CE2-CE2 4.45Å; Y85-F128 AromaticContact CG-CE2 3.7Å; Y85-F128 HydrophobicContact CG-CE2 3.7Å; Y85-F128 AromaticContact CG-CZ 3.8Å; Y85-F128 HydrophobicContact CG-CZ 3.8Å; F125-F128 PolarHBondContact O-N 2.86Å; V126-F128 PolarHBondContact O-N 3.05Å; V126-F128 VanDerWaalsContact O-N 3.16Å; F128-D130 PolarHBondContact O-N 3.07Å; F128-T131 WeakPolarHBondContact O-CB 3.48Å; F128-T131 PolarHBondContact O-N 2.83Å; F128-T131 VanDerWaalsContact O-N 3.13Å; F128-L132 WeakPolarHBondContact O-CG 3.11Å; F128-L132 PolarHBondContact O-N 3.32Å
129I97.9Very high96.1Very high81 Ų8158.4 Ų58.442%0.41528%0.275SS..Hα-helixtrans-56.1-49.9-179.5-70.7173.2000111.6F125 V126 T131 L132 V133F125-I129 HydrophobicContact CD2-CD1 4.45Å; F125-I129 HydrophobicContact CD2-CG1 4.31Å; F125-I129 HydrophobicContact CE2-CD1 4.25Å; F125-I129 PolarHBondContact O-N 3.22Å; V126-I129 HydrophobicContact CB-CD1 4.34Å; V126-I129 HydrophobicContact CG1-CD1 4.35Å; V126-I129 HydrophobicContact CG2-CD1 4.29Å; V126-I129 PolarHBondContact O-N 2.92Å; I129-T131 VanDerWaalsContact C-N 3.31Å; I129-T131 PolarHBondContact O-N 3.34Å; I129-L132 PolarHBondContact O-N 2.96Å; I129-V133 WeakPolarHBondContact O-CG2 3.27Å; I129-V133 PolarHBondContact O-N 3.24Å
130D97.3Very high96.4Very high18 Ų1864.6 Ų64.610%0.09630%0.301CS..Hα-helixtrans-62.6-39177.866.3-30.6000111.9T20 K24 F128 L132 V133 Y134T20-D130 WeakPolarHBondContact CB-OD2 3.42Å; T20-D130 HydrophobicContact CG2-CB 3.96Å; T20-D130 PolarHBondContact OG1-OD2 3.28Å; K24-D130 WeakPolarHBondContact CE-OD2 3.39Å; K24-D130 IonicContact NZ-OD1 3.91Å; K24-D130 PolarHBondContact NZ-OD1 3.19Å; K24-D130 IonicContact NZ-OD2 3.47Å; K24-D130 PolarHBondContact NZ-OD2 3.28Å; F128-D130 PolarHBondContact O-N 3.07Å; D130-L132 PolarHBondContact O-N 3.18Å; D130-V133 PolarHBondContact O-N 3.44Å; D130-Y134 HydrophobicContact CB-CE2 4.05Å; D130-Y134 WeakPolarHBondContact O-CB 3.43Å; D130-Y134 WeakPolarHBondContact O-CD2 3.32Å; D130-Y134 PolarHBondContact O-N 3.32Å
131T97.8Very high96.5Very high12 Ų1262.9 Ų62.97%0.07429%0.294CS..Hα-helixtrans-60.5-46.2176.7-58.60000110.1F74 F78 F128 I129 Y134 L135F74-T131 HydrophobicContact CE2-CG2 3.67Å; F74-T131 WeakPolarHBondContact CE2-O 3.48Å; F74-T131 HydrophobicContact CZ-CG2 3.97Å; F78-T131 HydrophobicContact CD2-CG2 3.84Å; F128-T131 WeakPolarHBondContact O-CB 3.48Å; F128-T131 PolarHBondContact O-N 2.83Å; F128-T131 VanDerWaalsContact O-N 3.13Å; I129-T131 VanDerWaalsContact C-N 3.31Å; I129-T131 PolarHBondContact O-N 3.34Å; T131-Y134 PolarHBondContact O-N 2.81Å; T131-L135 VanDerWaalsContact O-CB 3.29Å; T131-L135 WeakPolarHBondContact O-CB 3.28Å; T131-L135 PolarHBondContact O-N 3.48Å
132L98Very high96.4Very high109 Ų10962.2 Ų62.257%0.57130%0.295SS*.Hα-helixtrans-64-41.6176.8-66.3174.3000112F128 I129 D130 L135 F136F128-L132 WeakPolarHBondContact O-CG 3.11Å; F128-L132 PolarHBondContact O-N 3.32Å; I129-L132 PolarHBondContact O-N 2.96Å; D130-L132 PolarHBondContact O-N 3.18Å; L132-L135 PolarHBondContact O-N 3.37Å; L132-F136 WeakPolarHBondContact O-CB 3.12Å; L132-F136 PolarHBondContact O-N 3.4Å
133V98Very high96.3Very high73 Ų7359.1 Ų59.144%0.44229%0.287SS..Hα-helixtrans-63.7-45.6176.2171.20000111.3I129 D130 F136 I137I129-V133 WeakPolarHBondContact O-CG2 3.27Å; I129-V133 PolarHBondContact O-N 3.24Å; D130-V133 PolarHBondContact O-N 3.44Å; V133-F136 WeakPolarHBondContact O-CB 2.97Å; V133-F136 PolarHBondContact O-N 3.21Å; V133-I137 HydrophobicContact CG1-CD1 4.06Å; V133-I137 WeakPolarHBondContact O-CG1 3.32Å; V133-I137 PolarHBondContact O-N 3.13Å
134Y98.1Very high96.2Very high21 Ų2161.9 Ų61.98%0.08230%0.297CS..Hα-helixtrans-65-42.1178.3-64.5-17.3000111.6F13 L16 T20 D130 T131 F136 I137 L138F13-Y134 AromaticContact CE2-CD1 3.95Å; F13-Y134 HydrophobicContact CE2-CD1 3.95Å; F13-Y134 HydrophobicContact CE2-CE1 4.46Å; F13-Y134 HydrophobicContact CE2-CG 4.04Å; F13-Y134 HydrophobicContact CZ-CD1 4.37Å; F13-Y134 HydrophobicContact CZ-CD2 4.32Å; F13-Y134 AromaticContact CZ-CG 3.99Å; F13-Y134 HydrophobicContact CZ-CG 3.99Å; L16-Y134 VanDerWaalsContact C-OH 3.31Å; L16-Y134 PolarHBondContact O-OH 2.86Å; T20-Y134 WeakPolarHBondContact CG2-OH 3.23Å; T20-Y134 PolarHBondContact OG1-OH 3.05Å; T20-Y134 VanDerWaalsContact OG1-OH 3.11Å; D130-Y134 HydrophobicContact CB-CE2 4.05Å; D130-Y134 WeakPolarHBondContact O-CB 3.43Å; D130-Y134 WeakPolarHBondContact O-CD2 3.32Å; D130-Y134 PolarHBondContact O-N 3.32Å; T131-Y134 PolarHBondContact O-N 2.81Å; Y134-F136 VanDerWaalsContact C-N 3.35Å; Y134-F136 PolarHBondContact O-N 2.92Å; Y134-I137 PolarHBondContact O-N 3.42Å; Y134-L138 WeakPolarHBondContact O-CB 3.43Å; Y134-L138 VanDerWaalsContact O-CG 3.26Å; Y134-L138 WeakPolarHBondContact O-CG 3.32Å; Y134-L138 PolarHBondContact O-N 2.63Å
135L98.1Very high96.1Very high58 Ų5861.8 Ų61.830%0.30430%0.297SS..Hα-helixtrans-60-45.4174.6-17660.9000111.3W71 F74 T131 L132 I137 L138 I139W71-L135 HydrophobicContact CH2-CD1 3.82Å; W71-L135 HydrophobicContact CZ3-CD1 3.94Å; F74-L135 HydrophobicContact CE1-CD1 4.12Å; F74-L135 HydrophobicContact CE2-CB 3.89Å; F74-L135 HydrophobicContact CZ-CB 3.93Å; F74-L135 HydrophobicContact CZ-CD1 3.87Å; F74-L135 HydrophobicContact CZ-CG 4.34Å; T131-L135 VanDerWaalsContact O-CB 3.29Å; T131-L135 WeakPolarHBondContact O-CB 3.28Å; T131-L135 PolarHBondContact O-N 3.48Å; L132-L135 PolarHBondContact O-N 3.37Å; L135-I137 VanDerWaalsContact C-N 3.32Å; L135-I137 PolarHBondContact O-N 3.49Å; L135-L138 PolarHBondContact O-N 2.85Å; L135-I139 HydrophobicContact CD1-CD1 3.74Å; L135-I139 HydrophobicContact CD1-CG1 4.21Å; L135-I139 HydrophobicContact CG-CD1 3.85Å; L135-I139 WeakPolarHBondContact O-CG1 3.4Å; L135-I139 PolarHBondContact O-N 2.92Å
136F97.8Very high96Very high99 Ų9958.4 Ų58.443%0.43428%0.284SS..Hα-helixtrans-58.4-43.2175.2176.3-92.9000112.1L132 V133 Y134 I139 F140 K141L132-F136 WeakPolarHBondContact O-CB 3.12Å; L132-F136 PolarHBondContact O-N 3.4Å; V133-F136 WeakPolarHBondContact O-CB 2.97Å; V133-F136 PolarHBondContact O-N 3.21Å; Y134-F136 VanDerWaalsContact C-N 3.35Å; Y134-F136 PolarHBondContact O-N 2.92Å; F136-I139 PolarHBondContact O-N 3.03Å; F136-F140 AromaticContact CD2-CD2 3.42Å; F136-F140 HydrophobicContact CD2-CD2 3.42Å; F136-F140 VanDerWaalsContact CD2-CD2 3.42Å; F136-F140 HydrophobicContact CD2-CE2 4.01Å; F136-F140 HydrophobicContact CD2-CG 4.32Å; F136-F140 HydrophobicContact CE2-CB 4.24Å; F136-F140 AromaticContact CE2-CD2 3.65Å; F136-F140 HydrophobicContact CE2-CD2 3.65Å; F136-F140 HydrophobicContact CE2-CE2 4.35Å; F136-F140 HydrophobicContact CE2-CG 4.17Å; F136-F140 HydrophobicContact CG-CD2 4.13Å; F136-F140 HydrophobicContact CZ-CB 4.33Å; F136-F140 WeakPolarHBondContact O-CB 3.28Å; F136-F140 PolarHBondContact O-N 3.37Å; F136-K141 HydrophobicContact CD1-CG 4.33Å; F136-K141 HydrophobicContact CE1-CD 4.46Å; F136-K141 HydrophobicContact CE1-CG 3.8Å
137I96.4Very high95.6Very high17 Ų1759.2 Ų59.29%0.08729%0.289CS..Hα-helixtrans-63.9-43177.3-68.1167000111V133 Y134 L135 I139 K141 T142 W144 L145V133-I137 HydrophobicContact CG1-CD1 4.06Å; V133-I137 WeakPolarHBondContact O-CG1 3.32Å; V133-I137 PolarHBondContact O-N 3.13Å; Y134-I137 PolarHBondContact O-N 3.42Å; L135-I137 VanDerWaalsContact C-N 3.32Å; L135-I137 PolarHBondContact O-N 3.49Å; I137-I139 VanDerWaalsContact C-N 3.34Å; I137-I139 PolarHBondContact O-N 3.13Å; I137-K141 HydrophobicContact CG2-CB 4.39Å; I137-K141 CarbonylContact O-C 3.47Å; I137-K141 VanDerWaalsContact O-CA 3.31Å; I137-K141 WeakPolarHBondContact O-CA 3.25Å; I137-K141 PolarHBondContact O-N 3.01Å; I137-T142 PolarHBondContact O-N 2.92Å; I137-T142 VanDerWaalsContact O-N 3.15Å; I137-W144 HydrophobicContact CG1-CE3 4.29Å; I137-W144 HydrophobicContact CG1-CZ3 4.29Å; I137-L145 HydrophobicContact CG2-CD2 3.88Å; I137-L145 HydrophobicContact CG2-CG 4.36Å
138L96.7Very high95.2Very high6 Ų666.6 Ų66.63%0.03132%0.321CS..Hα-helixtrans-68.7-29.4-178.4-70.5172.1000113.8F70 W71 F74 Y134 L135 T142 L145F70-L138 HydrophobicContact CB-CD2 3.59Å; W71-L138 HydrophobicContact CD2-CD1 4.13Å; W71-L138 HydrophobicContact CE3-CD1 4.05Å; W71-L138 HydrophobicContact CH2-CB 4.1Å; W71-L138 HydrophobicContact CZ2-CB 3.76Å; W71-L138 HydrophobicContact CZ3-CD1 4.28Å; F74-L138 HydrophobicContact CB-CD1 3.46Å; F74-L138 VanDerWaalsContact CB-CD1 3.46Å; F74-L138 HydrophobicContact CD1-CD1 4.15Å; F74-L138 HydrophobicContact CD2-CD1 3.97Å; F74-L138 HydrophobicContact CG-CD1 3.58Å; Y134-L138 WeakPolarHBondContact O-CB 3.43Å; Y134-L138 VanDerWaalsContact O-CG 3.26Å; Y134-L138 WeakPolarHBondContact O-CG 3.32Å; Y134-L138 PolarHBondContact O-N 2.63Å; L135-L138 PolarHBondContact O-N 2.85Å; L138-T142 WeakPolarHBondContact O-CG2 3.24Å; L138-L145 HydrophobicContact CD2-CD1 3.78Å
139I97.1Very high94.5Very high88 Ų8867 Ų6745%0.45133%0.332SS..Hα-helixtrans-87.5-55177.7-63.1173000110.4W71 L135 F136 I137W71-I139 HydrophobicContact CH2-CG1 4.2Å; W71-I139 HydrophobicContact CZ2-CG1 4.38Å; L135-I139 HydrophobicContact CD1-CD1 3.74Å; L135-I139 HydrophobicContact CD1-CG1 4.21Å; L135-I139 HydrophobicContact CG-CD1 3.85Å; L135-I139 WeakPolarHBondContact O-CG1 3.4Å; L135-I139 PolarHBondContact O-N 2.92Å; F136-I139 PolarHBondContact O-N 3.03Å; I137-I139 VanDerWaalsContact C-N 3.34Å; I137-I139 PolarHBondContact O-N 3.13Å
140F96.5Very high94.1Very high135 Ų13565 Ų6559%0.59232%0.321SS*.Hα-helixtrans-101.7-21.3-165.3-59-71.6000114.2F136F136-F140 AromaticContact CD2-CD2 3.42Å; F136-F140 HydrophobicContact CD2-CD2 3.42Å; F136-F140 VanDerWaalsContact CD2-CD2 3.42Å; F136-F140 HydrophobicContact CD2-CE2 4.01Å; F136-F140 HydrophobicContact CD2-CG 4.32Å; F136-F140 HydrophobicContact CE2-CB 4.24Å; F136-F140 AromaticContact CE2-CD2 3.65Å; F136-F140 HydrophobicContact CE2-CD2 3.65Å; F136-F140 HydrophobicContact CE2-CE2 4.35Å; F136-F140 HydrophobicContact CE2-CG 4.17Å; F136-F140 HydrophobicContact CG-CD2 4.13Å; F136-F140 HydrophobicContact CZ-CB 4.33Å; F136-F140 WeakPolarHBondContact O-CB 3.28Å; F136-F140 PolarHBondContact O-N 3.37Å
141K94Very high93.9Very high65 Ų6566.6 Ų66.628%0.28333%0.333SS..  trans-123.831.2-172.6-52.1-64.2-177.4-169.60113.4F136 I137 K143 W144F136-K141 HydrophobicContact CD1-CG 4.33Å; F136-K141 HydrophobicContact CE1-CD 4.46Å; F136-K141 HydrophobicContact CE1-CG 3.8Å; I137-K141 HydrophobicContact CG2-CB 4.39Å; I137-K141 CarbonylContact O-C 3.47Å; I137-K141 VanDerWaalsContact O-CA 3.31Å; I137-K141 WeakPolarHBondContact O-CA 3.25Å; I137-K141 PolarHBondContact O-N 3.01Å; K141-K143 PolarHBondContact O-N 2.77Å; K141-W144 HydrophobicContact CB-CD2 3.55Å; K141-W144 HydrophobicContact CB-CE3 3.61Å; K141-W144 HydrophobicContact CB-CG 4Å; K141-W144 HydrophobicContact CB-CH2 4.33Å; K141-W144 HydrophobicContact CB-CZ2 4.28Å; K141-W144 HydrophobicContact CB-CZ3 4.01Å; K141-W144 HydrophobicContact CD-CD2 4.44Å; K141-W144 HydrophobicContact CD-CH2 4Å; K141-W144 HydrophobicContact CD-CZ2 3.64Å; K141-W144 HydrophobicContact CG-CD2 4.09Å; K141-W144 HydrophobicContact CG-CE3 4Å; K141-W144 HydrophobicContact CG-CH2 3.81Å; K141-W144 HydrophobicContact CG-CZ2 3.89Å; K141-W144 HydrophobicContact CG-CZ3 3.86Å; K141-W144 VanDerWaalsContact O-CB 3.29Å; K141-W144 WeakPolarHBondContact O-CB 3.26Å; K141-W144 PolarHBondContact O-N 3.42Å
142T90Very high93.6Very high47 Ų4771.9 Ų71.929%0.28836%0.355SS..G310 helixtrans-52.7-27.4178.456.70000114.4I137 L138 W144 L145I137-T142 PolarHBondContact O-N 2.92Å; I137-T142 VanDerWaalsContact O-N 3.15Å; L138-T142 WeakPolarHBondContact O-CG2 3.24Å; T142-W144 PolarHBondContact O-N 3.41Å; T142-L145 WeakPolarHBondContact O-CB 3.33Å; T142-L145 PolarHBondContact O-N 2.83Å; T142-L145 VanDerWaalsContact O-N 3.09Å
143K90.8Very high93.4Very high151 Ų15174.1 Ų74.166%0.65736%0.36SS*.G310 helixtrans-63.5-18.3174.565.4-177.1177.7-175.70114.6K7 K141 L145K7-K143 VanDerWaalsContact CE-O 3.31Å; K7-K143 WeakPolarHBondContact CE-O 3.36Å; K141-K143 PolarHBondContact O-N 2.77Å; K143-L145 VanDerWaalsContact C-N 3.3Å
144W92.1Very high93.2Very high103 Ų10375.5 Ų75.539%0.3936%0.36SS..G310 helixtrans-78.6-14174.6-62.4-6.8000112.8K7 I8 I137 K141 T142K7-W144 CarbonylContact C-O 3.07Å; K7-W144 WeakPolarHBondContact CA-O 3.31Å; K7-W144 VanDerWaalsContact CB-O 3.29Å; K7-W144 WeakPolarHBondContact CB-O 3.31Å; I8-W144 PolarHBondContact N-O 2.95Å; I137-W144 HydrophobicContact CG1-CE3 4.29Å; I137-W144 HydrophobicContact CG1-CZ3 4.29Å; K141-W144 HydrophobicContact CB-CD2 3.55Å; K141-W144 HydrophobicContact CB-CE3 3.61Å; K141-W144 HydrophobicContact CB-CG 4Å; K141-W144 HydrophobicContact CB-CH2 4.33Å; K141-W144 HydrophobicContact CB-CZ2 4.28Å; K141-W144 HydrophobicContact CB-CZ3 4.01Å; K141-W144 HydrophobicContact CD-CD2 4.44Å; K141-W144 HydrophobicContact CD-CH2 4Å; K141-W144 HydrophobicContact CD-CZ2 3.64Å; K141-W144 HydrophobicContact CG-CD2 4.09Å; K141-W144 HydrophobicContact CG-CE3 4Å; K141-W144 HydrophobicContact CG-CH2 3.81Å; K141-W144 HydrophobicContact CG-CZ2 3.89Å; K141-W144 HydrophobicContact CG-CZ3 3.86Å; K141-W144 VanDerWaalsContact O-CB 3.29Å; K141-W144 WeakPolarHBondContact O-CB 3.26Å; K141-W144 PolarHBondContact O-N 3.42Å; T142-W144 PolarHBondContact O-N 3.41Å
145L93.8Very high93.2Very high6 Ų674.5 Ų74.53%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-91.8133.7-175.9-54.5179000110.6I8 F70 I137 L138 T142 K143I8-L145 HydrophobicContact CB-CD2 4.17Å; F70-L145 HydrophobicContact CB-CD1 4.28Å; F70-L145 HydrophobicContact CD1-CD1 3.98Å; F70-L145 HydrophobicContact CD1-CD2 3.97Å; F70-L145 HydrophobicContact CD1-CG 4.38Å; F70-L145 HydrophobicContact CD2-CD1 4.31Å; F70-L145 HydrophobicContact CE1-CB 4.15Å; F70-L145 HydrophobicContact CE1-CD1 4.37Å; F70-L145 HydrophobicContact CE1-CD2 3.79Å; F70-L145 HydrophobicContact CE1-CG 4.31Å; F70-L145 HydrophobicContact CE2-CB 4.15Å; F70-L145 HydrophobicContact CG-CD1 3.95Å; F70-L145 HydrophobicContact CZ-CB 3.93Å; F70-L145 HydrophobicContact CZ-CD2 4.41Å; I137-L145 HydrophobicContact CG2-CD2 3.88Å; I137-L145 HydrophobicContact CG2-CG 4.36Å; L138-L145 HydrophobicContact CD2-CD1 3.78Å; T142-L145 WeakPolarHBondContact O-CB 3.33Å; T142-L145 PolarHBondContact O-N 2.83Å; T142-L145 VanDerWaalsContact O-N 3.09Å; K143-L145 VanDerWaalsContact C-N 3.3Å
146D93.4Very high93.2Very high46 Ų4675 Ų7525%0.24636%0.363CS..EExtended strand (participates in β ladder)trans-86108.4168.3-172-0.2000109K7 I8 F70 K148K7-D146 HydrophobicContact CB-CB 3.84Å; I8-D146 PolarHBondContact O-N 2.85Å; F70-D146 WeakPolarHBondContact CE2-O 3.48Å; F70-D146 WeakPolarHBondContact CZ-O 3.39Å; D146-K148 PolarHBondContact O-N 2.83Å; D146-K148 WeakPolarHBondContact OD1-CB 3.22Å; D146-K148 VanDerWaalsContact OD1-CG 3.25Å; D146-K148 WeakPolarHBondContact OD1-CG 3.37Å; D146-K148 PolarHBondContact OD1-N 2.92Å; D146-K148 VanDerWaalsContact OD1-N 3.09Å
147T88.8Confident93.1Very high68 Ų6874.6 Ų74.642%0.41737%0.368SS..  trans-76.8-0.2-177.150.40000113.9G66 K67G66-T147 PolarHBondContact N-O 3.2Å; G66-T147 VanDerWaalsContact N-O 3.13Å; K67-T147 HydrophobicContact CG-CG2 4.06Å
148K88.3Confident93.2Very high155 Ų15575 Ų7567%0.67437%0.371SS*.PPolyproline II helixtrans-59.3141.6172.5-72.7176.5-175.3178.70110.5D146D146-K148 PolarHBondContact O-N 2.83Å; D146-K148 WeakPolarHBondContact OD1-CB 3.22Å; D146-K148 VanDerWaalsContact OD1-CG 3.25Å; D146-K148 WeakPolarHBondContact OD1-CG 3.37Å; D146-K148 PolarHBondContact OD1-N 2.92Å; D146-K148 VanDerWaalsContact OD1-N 3.09Å
149A83Confident93.2Very high49 Ų4976.6 Ų76.641%0.40538%0.38SS..PPolyproline II helixtrans-66.9143.317700000110.3K65K65-A149 HydrophobicContact CB-CB 3.63Å
150F90.2Very high93.3Very high40 Ų4075.4 Ų75.418%0.17538%0.382CS..PPolyproline II helixtrans-66.4145.8160.2-177.1-108.1000109F11 L62 K152 F154 V155F11-F150 HydrophobicContact CB-CD2 3.64Å; F11-F150 HydrophobicContact CB-CE2 3.88Å; F11-F150 HydrophobicContact CB-CG 4.47Å; F11-F150 HydrophobicContact CD1-CE2 4.37Å; F11-F150 AromaticContact CD2-CD2 4Å; F11-F150 HydrophobicContact CD2-CD2 4Å; F11-F150 HydrophobicContact CD2-CE1 4.44Å; F11-F150 AromaticContact CD2-CE2 3.56Å; F11-F150 HydrophobicContact CD2-CE2 3.56Å; F11-F150 AromaticContact CD2-CZ 3.8Å; F11-F150 HydrophobicContact CD2-CZ 3.8Å; F11-F150 HydrophobicContact CE2-CE2 4.18Å; F11-F150 HydrophobicContact CE2-CZ 4.07Å; F11-F150 AromaticContact CG-CD2 3.97Å; F11-F150 HydrophobicContact CG-CD2 3.97Å; F11-F150 AromaticContact CG-CE2 3.67Å; F11-F150 HydrophobicContact CG-CE2 3.67Å; F11-F150 HydrophobicContact CG-CZ 4.36Å; L62-F150 HydrophobicContact CB-CB 4.48Å; L62-F150 HydrophobicContact CB-CD1 4.01Å; L62-F150 HydrophobicContact CD1-CD1 4.2Å; L62-F150 HydrophobicContact CD1-CE1 4.26Å; L62-F150 HydrophobicContact CD2-CB 4.36Å; L62-F150 HydrophobicContact CD2-CG 4.45Å; L62-F150 HydrophobicContact CG-CD1 4.5Å; F150-K152 PolarHBondContact O-N 3.35Å; F150-F154 HydrophobicContact CE1-CB 3.72Å; F150-F154 HydrophobicContact CZ-CB 3.71Å; F150-V155 HydrophobicContact CD1-CG2 3.66Å; F150-V155 HydrophobicContact CE1-CG2 3.93Å
151S92.3Very high93.3Very high51 Ų5171.3 Ų71.336%0.35737%0.374SS..  trans-69.7106.1-176.5165.40000109.9K153 F154S151-K153 PolarHBondContact O-N 2.82Å; S151-K153 WeakPolarHBondContact OG-CG 3.34Å; S151-F154 PolarHBondContact O-N 2.94Å; S151-F154 WeakPolarHBondContact OG-CD2 3.44Å
152K91.3Very high93.4Very high122 Ų12268.5 Ų68.553%0.5336%0.362SS..G310 helixtrans-51.6-31.8-172.4-62.8-174.1179.2-167.60114.4F63 F150 F154 V155 P156F63-K152 HydrophobicContact CD1-CB 4.28Å; F63-K152 HydrophobicContact CD1-CD 4.39Å; F63-K152 HydrophobicContact CD1-CG 4.26Å; F63-K152 HydrophobicContact CE1-CB 4.46Å; F63-K152 WeakPolarHBondContact O-CE 3.43Å; F150-K152 PolarHBondContact O-N 3.35Å; K152-F154 PolarHBondContact O-N 2.77Å; K152-V155 PolarHBondContact O-N 3.43Å; K152-V155 VanDerWaalsContact O-N 3.08Å; K152-P156 VanDerWaalsContact O-CD 3.28Å; K152-P156 WeakPolarHBondContact O-CD 3.2Å
153K93.9Very high93.8Very high156 Ų15669 Ų6968%0.67837%0.365SS*.G310 helixtrans-60.9-21.717773.9-173.1179.3173.20114S151S151-K153 PolarHBondContact O-N 2.82Å; S151-K153 WeakPolarHBondContact OG-CG 3.34Å
154F95.7Very high94.1Very high102 Ų10264.5 Ų64.545%0.44736%0.356SS..G310 helixtrans-94.2-10.8177.4-64.6-65.6000113.3F150 S151 K152 V157 V158F150-F154 HydrophobicContact CE1-CB 3.72Å; F150-F154 HydrophobicContact CZ-CB 3.71Å; S151-F154 PolarHBondContact O-N 2.94Å; S151-F154 WeakPolarHBondContact OG-CD2 3.44Å; K152-F154 PolarHBondContact O-N 2.77Å; F154-V157 WeakPolarHBondContact O-CB 3.44Å; F154-V157 PolarHBondContact O-N 3.44Å; F154-V157 VanDerWaalsContact O-N 3.11Å; F154-V158 PolarHBondContact O-N 3.18Å; F154-V158 VanDerWaalsContact O-N 3.08Å
155V96.6Very high94.1Very high0 Ų063.2 Ų63.20%036%0.357CS..Hα-helixtrans-62.3-44.5179-177.50000111.6S59 L62 F63 F150 K152 V157 V158 M159S59-V155 WeakPolarHBondContact O-CG1 3.35Å; L62-V155 HydrophobicContact CB-CG1 4.29Å; L62-V155 HydrophobicContact CB-CG2 3.68Å; F63-V155 HydrophobicContact CD1-CB 4.29Å; F63-V155 HydrophobicContact CD1-CG1 4.4Å; F63-V155 HydrophobicContact CD1-CG2 4.28Å; F63-V155 HydrophobicContact CD2-CB 4.49Å; F63-V155 HydrophobicContact CD2-CG1 3.74Å; F63-V155 HydrophobicContact CE1-CB 3.83Å; F63-V155 HydrophobicContact CE1-CG1 4.06Å; F63-V155 HydrophobicContact CE1-CG2 4.27Å; F63-V155 HydrophobicContact CE2-CB 4.06Å; F63-V155 HydrophobicContact CE2-CG1 3.34Å; F63-V155 HydrophobicContact CG-CG1 4.26Å; F63-V155 HydrophobicContact CZ-CB 3.71Å; F63-V155 HydrophobicContact CZ-CG1 3.52Å; F150-V155 HydrophobicContact CD1-CG2 3.66Å; F150-V155 HydrophobicContact CE1-CG2 3.93Å; K152-V155 PolarHBondContact O-N 3.43Å; K152-V155 VanDerWaalsContact O-N 3.08Å; V155-V157 PolarHBondContact O-N 3.08Å; V155-V158 PolarHBondContact O-N 3.24Å; V155-V158 VanDerWaalsContact O-N 3.12Å; V155-M159 HydrophobicContact CG1-CE 3.9Å; V155-M159 HydrophobicContact CG1-SD 4.21Å; V155-M159 WeakPolarHBondContact O-CG 3.36Å; V155-M159 PolarHBondContact O-N 3.29Å
156P97.8Very high94.2Very high70 Ų7065.3 Ų65.346%0.45537%0.366SS..Hα-helixtrans-58.8-31.5173-25.935.9000113.7K152 M159 A160K152-P156 VanDerWaalsContact O-CD 3.28Å; K152-P156 WeakPolarHBondContact O-CD 3.2Å; P156-M159 PolarHBondContact O-N 3.2Å; P156-A160 VanDerWaalsContact O-CB 3.28Å; P156-A160 WeakPolarHBondContact O-CB 3.39Å; P156-A160 PolarHBondContact O-N 3.19Å
157V97.4Very high94.2Very high89 Ų8969 Ų6954%0.53938%0.38SS..Hα-helixtrans-68.2-42.9176.4-178.20000110.7F154 V155 M159 A160 A161F154-V157 WeakPolarHBondContact O-CB 3.44Å; F154-V157 PolarHBondContact O-N 3.44Å; F154-V157 VanDerWaalsContact O-N 3.11Å; V155-V157 PolarHBondContact O-N 3.08Å; V157-M159 VanDerWaalsContact C-N 3.34Å; V157-A160 PolarHBondContact O-N 3.3Å; V157-A161 WeakPolarHBondContact O-CB 3.47Å; V157-A161 PolarHBondContact O-N 3.17Å
158V97.1Very high94.4Very high25 Ų2569.6 Ų69.615%0.15238%0.38CS..Hα-helixtrans-62.9-42175177.60000110.9F11 F14 L62 F154 V155 A161 S162F11-V158 HydrophobicContact CE2-CG2 4.04Å; F14-V158 HydrophobicContact CE1-CG1 4.04Å; F14-V158 HydrophobicContact CZ-CG1 3.8Å; L62-V158 HydrophobicContact CD1-CG1 4.41Å; F154-V158 PolarHBondContact O-N 3.18Å; F154-V158 VanDerWaalsContact O-N 3.08Å; V155-V158 PolarHBondContact O-N 3.24Å; V155-V158 VanDerWaalsContact O-N 3.12Å; V158-A161 PolarHBondContact O-N 3.49Å; V158-S162 PolarHBondContact O-N 3.49Å; V158-S162 PolarHBondContact O-OG 3.2Å
159M98Very high94.6Very high41 Ų4162.3 Ų62.320%0.20235%0.348CS..Hα-helixtrans-62.8-49.4175.9-71.8174.6167.800111.6L56 S59 V60 F63 V155 P156 V157 A161 S162 V163L56-M159 HydrophobicContact CD1-CB 4.09Å; L56-M159 HydrophobicContact CD1-CG 4.16Å; S59-M159 WeakPolarHBondContact OG-CE 3.49Å; S59-M159 WeakPolarHBondContact OG-CG 3.37Å; V60-M159 HydrophobicContact CB-CE 4.25Å; V60-M159 HydrophobicContact CG2-CE 3.66Å; F63-M159 HydrophobicContact CD2-CE 4.4Å; F63-M159 HydrophobicContact CE2-CE 3.74Å; F63-M159 HydrophobicContact CE2-SD 4.27Å; V155-M159 HydrophobicContact CG1-CE 3.9Å; V155-M159 HydrophobicContact CG1-SD 4.21Å; V155-M159 WeakPolarHBondContact O-CG 3.36Å; V155-M159 PolarHBondContact O-N 3.29Å; P156-M159 PolarHBondContact O-N 3.2Å; V157-M159 VanDerWaalsContact C-N 3.34Å; M159-A161 VanDerWaalsContact C-N 3.32Å; M159-A161 PolarHBondContact O-N 2.91Å; M159-S162 WeakPolarHBondContact O-CB 3.3Å; M159-S162 PolarHBondContact O-N 3.36Å; M159-S162 VanDerWaalsContact O-N 3.11Å; M159-V163 WeakPolarHBondContact O-CG2 3.36Å; M159-V163 PolarHBondContact O-N 2.73Å
160A98Very high95.1Very high62 Ų6261.2 Ų61.251%0.51234%0.335SS..Hα-helixtrans-60.8-40.5177.600000112P156 V157 S162 V163 A164P156-A160 VanDerWaalsContact O-CB 3.28Å; P156-A160 WeakPolarHBondContact O-CB 3.39Å; P156-A160 PolarHBondContact O-N 3.19Å; V157-A160 PolarHBondContact O-N 3.3Å; A160-S162 VanDerWaalsContact C-N 3.33Å; A160-S162 PolarHBondContact O-N 2.84Å; A160-V163 PolarHBondContact O-N 2.94Å; A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.48Å
161A97.1Very high95.1Very high50 Ų5061.9 Ų61.941%0.41335%0.348SS..Hα-helixtrans-62.7-39.6174.100000112.1V157 V158 M159 A164 L165V157-A161 WeakPolarHBondContact O-CB 3.47Å; V157-A161 PolarHBondContact O-N 3.17Å; V158-A161 PolarHBondContact O-N 3.49Å; M159-A161 VanDerWaalsContact C-N 3.32Å; M159-A161 PolarHBondContact O-N 2.91Å; A161-A164 PolarHBondContact O-N 3.41Å; A161-L165 WeakPolarHBondContact O-CB 3.48Å; A161-L165 VanDerWaalsContact O-CG 3.3Å; A161-L165 WeakPolarHBondContact O-CG 3.49Å; A161-L165 PolarHBondContact O-N 3.05Å
162S97Very high95Very high5 Ų564 Ų644%0.03535%0.351CS..Hα-helixtrans-65.2-40.5177.3-54.20000111.9S52 A55 V158 M159 A160 L165 F166S52-S162 WeakPolarHBondContact CB-O 3.4Å; A55-S162 WeakPolarHBondContact CB-OG 3.49Å; V158-S162 PolarHBondContact O-N 3.49Å; V158-S162 PolarHBondContact O-OG 3.2Å; M159-S162 WeakPolarHBondContact O-CB 3.3Å; M159-S162 PolarHBondContact O-N 3.36Å; M159-S162 VanDerWaalsContact O-N 3.11Å; A160-S162 VanDerWaalsContact C-N 3.33Å; A160-S162 PolarHBondContact O-N 2.84Å; S162-L165 PolarHBondContact O-N 3.19Å; S162-F166 PolarHBondContact O-N 3.36Å; S162-F166 VanDerWaalsContact O-N 3.08Å
163V96.9Very high94.9Very high57 Ų5758.2 Ų58.235%0.34533%0.326SS..Hα-helixtrans-67.5-42.8174.2174.10000111.3L56 M159 A160 L165 F166 F167L56-V163 HydrophobicContact CD1-CG2 4.2Å; L56-V163 HydrophobicContact CD2-CG2 4.18Å; M159-V163 WeakPolarHBondContact O-CG2 3.36Å; M159-V163 PolarHBondContact O-N 2.73Å; A160-V163 PolarHBondContact O-N 2.94Å; V163-L165 VanDerWaalsContact C-N 3.3Å; V163-L165 PolarHBondContact O-N 2.9Å; V163-F166 WeakPolarHBondContact O-CB 3.48Å; V163-F166 PolarHBondContact O-N 2.69Å; V163-F166 VanDerWaalsContact O-N 3.12Å; V163-F167 HydrophobicContact CG1-CD2 3.8Å; V163-F167 HydrophobicContact CG1-CE2 3.55Å; V163-F167 VanDerWaalsContact O-CD2 3.3Å; V163-F167 WeakPolarHBondContact O-CD2 3.34Å; V163-F167 PolarHBondContact O-N 3.23Å; V163-F167 VanDerWaalsContact O-N 3.08Å
164A96.8Very high94.7Very high58 Ų5853.5 Ų53.548%0.47931%0.307SS..Hα-helixtrans-61-40.3175.400000111.8A160 A161 F166 F167 L168A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.48Å; A161-A164 PolarHBondContact O-N 3.41Å; A164-F166 VanDerWaalsContact C-N 3.33Å; A164-F166 PolarHBondContact O-N 2.64Å; A164-F167 PolarHBondContact O-N 3.38Å; A164-L168 WeakPolarHBondContact O-CB 3.5Å; A164-L168 PolarHBondContact O-N 3.41Å
165L93.9Very high94.2Very high75 Ų7553.8 Ų53.839%0.39332%0.317SS..Hα-helixtrans-62.7-37.1173.5-76170.9000112.4A161 S162 V163 N169A161-L165 WeakPolarHBondContact O-CB 3.48Å; A161-L165 VanDerWaalsContact O-CG 3.3Å; A161-L165 WeakPolarHBondContact O-CG 3.49Å; A161-L165 PolarHBondContact O-N 3.05Å; S162-L165 PolarHBondContact O-N 3.19Å; V163-L165 VanDerWaalsContact C-N 3.3Å; V163-L165 PolarHBondContact O-N 2.9Å; L165-N169 WeakPolarHBondContact O-CB 3.36Å; L165-N169 PolarHBondContact O-N 3.39Å
166F94.6Very high93.6Very high51 Ų5156.9 Ų56.922%0.22433%0.333CS..Hα-helixtrans-61-51.1173.3171.6-104000111.4S162 V163 A164 L168 N169 L170 N198S162-F166 PolarHBondContact O-N 3.36Å; S162-F166 VanDerWaalsContact O-N 3.08Å; V163-F166 WeakPolarHBondContact O-CB 3.48Å; V163-F166 PolarHBondContact O-N 2.69Å; V163-F166 VanDerWaalsContact O-N 3.12Å; A164-F166 VanDerWaalsContact C-N 3.33Å; A164-F166 PolarHBondContact O-N 2.64Å; F166-L168 VanDerWaalsContact C-N 3.32Å; F166-L168 PolarHBondContact O-N 2.87Å; F166-N169 PolarHBondContact O-N 2.98Å; F166-L170 HydrophobicContact CE1-CD2 4.3Å; F166-L170 HydrophobicContact CZ-CD2 4.43Å; F166-L170 WeakPolarHBondContact O-CB 3.4Å; F166-L170 PolarHBondContact O-N 3.18Å; F166-N198 WeakPolarHBondContact CD2-OD1 3.4Å; F166-N198 HydrophobicContact CE2-CB 4.11Å
167F94.6Very high92.9Very high123 Ų12354.6 Ų54.654%0.53932%0.316SS..Hα-helixtrans-66-34.5180-75.2-68000112.8V163 A164 L170 A171V163-F167 HydrophobicContact CG1-CD2 3.8Å; V163-F167 HydrophobicContact CG1-CE2 3.55Å; V163-F167 VanDerWaalsContact O-CD2 3.3Å; V163-F167 WeakPolarHBondContact O-CD2 3.34Å; V163-F167 PolarHBondContact O-N 3.23Å; V163-F167 VanDerWaalsContact O-N 3.08Å; A164-F167 PolarHBondContact O-N 3.38Å; F167-L170 HydrophobicContact CD1-CD2 4.46Å; F167-L170 PolarHBondContact O-N 3.29Å; F167-A171 WeakPolarHBondContact O-CB 3.35Å; F167-A171 PolarHBondContact O-N 3.17Å
168L93Very high92.2Very high80 Ų8054.3 Ų54.342%0.41932%0.315SS..Hα-helixtrans-63.3-46.1172.2-177.864.9000111.2M48 A164 F166 A171 F172M48-L168 HydrophobicContact CE-CD2 4.02Å; M48-L168 HydrophobicContact CE-CG 4.3Å; A164-L168 WeakPolarHBondContact O-CB 3.5Å; A164-L168 PolarHBondContact O-N 3.41Å; F166-L168 VanDerWaalsContact C-N 3.32Å; F166-L168 PolarHBondContact O-N 2.87Å; L168-A171 PolarHBondContact O-N 3.17Å; L168-F172 HydrophobicContact CD1-CD2 4.06Å; L168-F172 HydrophobicContact CD1-CE2 3.51Å; L168-F172 HydrophobicContact CD1-CZ 4.13Å; L168-F172 HydrophobicContact CD2-CE2 4.23Å; L168-F172 HydrophobicContact CG-CD2 3.97Å; L168-F172 HydrophobicContact CG-CE2 3.67Å; L168-F172 VanDerWaalsContact O-CD2 3.24Å; L168-F172 WeakPolarHBondContact O-CD2 3.41Å; L168-F172 PolarHBondContact O-N 2.88Å
169N92.7Very high91.2Very high2 Ų258.2 Ų58.21%0.01133%0.332CS..Hα-helixtrans-62.4-43.1175.8-176.668.8000111.7L165 F166 F172 A173 Y193L165-N169 WeakPolarHBondContact O-CB 3.36Å; L165-N169 PolarHBondContact O-N 3.39Å; F166-N169 PolarHBondContact O-N 2.98Å; N169-F172 PolarHBondContact O-N 3.48Å; N169-A173 VanDerWaalsContact O-CB 3.26Å; N169-A173 WeakPolarHBondContact O-CB 3.25Å; N169-A173 PolarHBondContact O-N 3.19Å; N169-Y193 PolarHBondContact ND2-O 3.41Å
170L92Very high90.5Very high26 Ų2656.3 Ų56.314%0.13632%0.323CS..Hα-helixtrans-62.4-43.3176.3179.962.7000111.6F166 F167 A173 E174 L181 L194F166-L170 HydrophobicContact CE1-CD2 4.3Å; F166-L170 HydrophobicContact CZ-CD2 4.43Å; F166-L170 WeakPolarHBondContact O-CB 3.4Å; F166-L170 PolarHBondContact O-N 3.18Å; F167-L170 HydrophobicContact CD1-CD2 4.46Å; F167-L170 PolarHBondContact O-N 3.29Å; L170-A173 WeakPolarHBondContact O-CB 3.43Å; L170-A173 PolarHBondContact O-N 3.31Å; L170-E174 HydrophobicContact CD1-CG 4.19Å; L170-E174 HydrophobicContact CG-CG 4.48Å; L170-E174 WeakPolarHBondContact O-CB 3.33Å; L170-E174 WeakPolarHBondContact O-CG 3.48Å; L170-E174 PolarHBondContact O-N 2.99Å; L170-L181 HydrophobicContact CD1-CD1 4.09Å; L170-L181 HydrophobicContact CD1-CD2 4.42Å; L170-L181 HydrophobicContact CD1-CG 4.21Å; L170-L181 HydrophobicContact CD2-CD1 4.19Å; L170-L194 HydrophobicContact CD1-CD2 3.85Å
171A90.9Very high89.8Confident54 Ų5456.2 Ų56.245%0.44631%0.313SS..Hα-helixtrans-60.8-48.1176.700000111.3F167 L168 A173 E174 T175F167-A171 WeakPolarHBondContact O-CB 3.35Å; F167-A171 PolarHBondContact O-N 3.17Å; L168-A171 PolarHBondContact O-N 3.17Å; A171-A173 VanDerWaalsContact C-N 3.31Å; A171-A173 PolarHBondContact O-N 2.94Å; A171-E174 PolarHBondContact O-N 2.96Å; A171-T175 WeakPolarHBondContact O-CG2 3.33Å; A171-T175 PolarHBondContact O-N 3.33Å
172F89.6Confident88.6Confident96 Ų9658.6 Ų58.642%0.42132%0.323SS..Hα-helixtrans-61.6-39.7174.7-76.5-53.4000112.5I45 M48 L168 N169 T175 D176I45-F172 HydrophobicContact CG1-CB 4.46Å; M48-F172 HydrophobicContact CE-CD2 4.34Å; M48-F172 HydrophobicContact CE-CE2 4.41Å; L168-F172 HydrophobicContact CD1-CD2 4.06Å; L168-F172 HydrophobicContact CD1-CE2 3.51Å; L168-F172 HydrophobicContact CD1-CZ 4.13Å; L168-F172 HydrophobicContact CD2-CE2 4.23Å; L168-F172 HydrophobicContact CG-CD2 3.97Å; L168-F172 HydrophobicContact CG-CE2 3.67Å; L168-F172 VanDerWaalsContact O-CD2 3.24Å; L168-F172 WeakPolarHBondContact O-CD2 3.41Å; L168-F172 PolarHBondContact O-N 2.88Å; N169-F172 PolarHBondContact O-N 3.48Å; F172-T175 PolarHBondContact O-N 3.21Å; F172-T175 PolarHBondContact O-OG1 3.01Å; F172-D176 PolarHBondContact O-N 3.28Å
173A90.1Very high87.3Confident0 Ų059.8 Ų59.80%033%0.326CS..Hα-helixtrans-62.3-45.7176.800000112.6N169 L170 A171 T175 D176 R177 L180 Y193N169-A173 VanDerWaalsContact O-CB 3.26Å; N169-A173 WeakPolarHBondContact O-CB 3.25Å; N169-A173 PolarHBondContact O-N 3.19Å; L170-A173 WeakPolarHBondContact O-CB 3.43Å; L170-A173 PolarHBondContact O-N 3.31Å; A171-A173 VanDerWaalsContact C-N 3.31Å; A171-A173 PolarHBondContact O-N 2.94Å; A173-T175 VanDerWaalsContact C-N 3.29Å; A173-T175 PolarHBondContact O-N 3.14Å; A173-D176 PolarHBondContact O-N 3.35Å; A173-R177 PolarHBondContact O-N 3.09Å; A173-L180 HydrophobicContact CB-CD2 3.92Å; A173-Y193 HydrophobicContact CB-CD1 3.7Å; A173-Y193 HydrophobicContact CB-CG 4.16Å
174E88.1Confident86Confident58 Ų5858.5 Ų58.527%0.27132%0.319SS..Hα-helixtrans-65.8-29.8177.4-73.6-73.7166.900112.3L170 A171 D176 R177 P178 E179 L180L170-E174 HydrophobicContact CD1-CG 4.19Å; L170-E174 HydrophobicContact CG-CG 4.48Å; L170-E174 WeakPolarHBondContact O-CB 3.33Å; L170-E174 WeakPolarHBondContact O-CG 3.48Å; L170-E174 PolarHBondContact O-N 2.99Å; A171-E174 PolarHBondContact O-N 2.96Å; E174-D176 VanDerWaalsContact C-N 3.33Å; E174-D176 PolarHBondContact O-N 3.15Å; E174-R177 WeakPolarHBondContact CA-O 3.25Å; E174-R177 CarbonylContact O-C 3.6Å; E174-R177 VanDerWaalsContact O-C 3.31Å; E174-P178 WeakPolarHBondContact O-CA 3.38Å; E174-P178 VanDerWaalsContact O-N 3.16Å; E174-P178 WeakPolarHBondContact OE2-CA 3.47Å; E174-E179 PolarHBondContact OE2-N 3.1Å; E174-L180 VanDerWaalsContact OE1-CB 3.29Å; E174-L180 WeakPolarHBondContact OE1-CB 2.96Å; E174-L180 PolarHBondContact OE1-N 3.48Å; E174-L180 VanDerWaalsContact OE1-N 3.1Å; E174-L180 PolarHBondContact OE2-N 3.35Å
175T86.9Confident84.9Confident108 Ų10856.8 Ų56.866%0.66330%0.301SS*.Hα-helixtrans-66.9-32.6173.662.90000113.5A171 F172 A173A171-T175 WeakPolarHBondContact O-CG2 3.33Å; A171-T175 PolarHBondContact O-N 3.33Å; F172-T175 PolarHBondContact O-N 3.21Å; F172-T175 PolarHBondContact O-OG1 3.01Å; A173-T175 VanDerWaalsContact C-N 3.29Å; A173-T175 PolarHBondContact O-N 3.14Å
176D84.1Confident84.3Confident65 Ų6553.5 Ų53.535%0.34828%0.284SS..Hα-helixtrans-90.3-31.3178.5-169.675.1000111.7Q42 F172 A173 E174 Y193Q42-D176 PolarHBondContact NE2-OD2 3.31Å; F172-D176 PolarHBondContact O-N 3.28Å; A173-D176 PolarHBondContact O-N 3.35Å; E174-D176 VanDerWaalsContact C-N 3.33Å; E174-D176 PolarHBondContact O-N 3.15Å; D176-Y193 HydrophobicContact CB-CE1 3.91Å; D176-Y193 VanDerWaalsContact OD2-CE1 3.24Å; D176-Y193 WeakPolarHBondContact OD2-CE1 3.47Å; D176-Y193 VanDerWaalsContact OD2-CZ 3.24Å; D176-Y193 PolarHBondContact OD2-OH 2.82Å
177R81.4Confident84.2Confident22 Ų2251.4 Ų51.48%0.08328%0.275CS..SBendtrans-138.392.9175.3-178167.6171.4131.7-9.8111.2A173 E174 L180 D186 Y193A173-R177 PolarHBondContact O-N 3.09Å; E174-R177 WeakPolarHBondContact CA-O 3.25Å; E174-R177 CarbonylContact O-C 3.6Å; E174-R177 VanDerWaalsContact O-C 3.31Å; R177-L180 HydrophobicContact CG-CD1 4.3Å; R177-D186 IonicContact CZ-OD2 3.84Å; R177-D186 IonicContact NH1-OD2 2.71Å; R177-D186 PolarHBondContact NH1-OD2 2.93Å; R177-D186 IonicContact NH2-OD2 3.06Å; R177-D186 PolarHBondContact NH2-OD2 2.97Å; R177-Y193 HydrophobicContact CB-CE1 4.32Å; R177-Y193 HydrophobicContact CB-CE2 4.37Å
178P82.7Confident83.9Confident82 Ų8246.5 Ų46.553%0.53225%0.253SS..THydrogen-bonded Turntrans-60.3148.3173.3-24.634.3000112.3E174 L180E174-P178 WeakPolarHBondContact O-CA 3.38Å; E174-P178 VanDerWaalsContact O-N 3.16Å; E174-P178 WeakPolarHBondContact OE2-CA 3.47Å; P178-L180 VanDerWaalsContact C-N 3.34Å
179E77.8Confident83.6Confident107 Ų10743.6 Ų43.650%0.524%0.237SC..THydrogen-bonded Turntrans6733177.3-51.4-179.6142.500112.7E174 L181 T182 R183E174-E179 PolarHBondContact OE2-N 3.1Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 3.35Å; E179-T182 WeakPolarHBondContact CB-OG1 3.37Å; E179-T182 PolarHBondContact O-N 3.07Å; E179-T182 PolarHBondContact O-OG1 3.36Å; E179-R183 IonicContact OE2-CZ 2.86Å; E179-R183 IonicContact OE2-NE 2.68Å; E179-R183 IonicContact OE2-NH2 3.11Å; E179-R183 PolarHBondContact OE2-NH2 3.32Å
180L82.7Confident83.5Confident2 Ų243.6 Ų43.61%0.0124%0.236CC..THydrogen-bonded Turntrans-60.6-42.8-174.2-178.467.2000112A173 E174 R177 P178 L190 Y193 L194A173-L180 HydrophobicContact CB-CD2 3.92Å; E174-L180 VanDerWaalsContact OE1-CB 3.29Å; E174-L180 WeakPolarHBondContact OE1-CB 2.96Å; E174-L180 PolarHBondContact OE1-N 3.48Å; E174-L180 VanDerWaalsContact OE1-N 3.1Å; E174-L180 PolarHBondContact OE2-N 3.35Å; R177-L180 HydrophobicContact CG-CD1 4.3Å; P178-L180 VanDerWaalsContact C-N 3.34Å; L180-L190 HydrophobicContact CD1-CD2 4.37Å; L180-L190 HydrophobicContact CG-CD2 4.16Å; L180-Y193 HydrophobicContact CD1-CD2 4.26Å; L180-Y193 HydrophobicContact CD1-CG 4.38Å; L180-Y193 HydrophobicContact CD2-CG 4.28Å; L180-L194 HydrophobicContact CD2-CD1 4.29Å; L180-L194 HydrophobicContact CD2-CD2 3.88Å; L180-L194 HydrophobicContact CD2-CG 3.95Å
181L83Confident83.6Confident59 Ų5942.3 Ų42.331%0.30923%0.23SC..THydrogen-bonded Turntrans-81.7-15.7-174.7-61.6-177.9000114.5L170 E179 L190 L194 Y202L170-L181 HydrophobicContact CD1-CD1 4.09Å; L170-L181 HydrophobicContact CD1-CD2 4.42Å; L170-L181 HydrophobicContact CD1-CG 4.21Å; L170-L181 HydrophobicContact CD2-CD1 4.19Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 3.35Å; L181-L190 HydrophobicContact CD2-CD2 4.38Å; L181-L194 HydrophobicContact CD2-CD1 3.7Å; L181-Y202 HydrophobicContact CB-CE2 4.25Å; L181-Y202 HydrophobicContact CD2-CD2 3.92Å; L181-Y202 HydrophobicContact CD2-CE2 3.9Å; L181-Y202 PolarHBondContact O-OH 3.11Å
182T71.3Confident83.6Confident100 Ų10040 Ų4061%0.61321%0.21SC*.THydrogen-bonded Turntrans-84.2-27.9-18060.90000112E179 T184E179-T182 WeakPolarHBondContact CB-OG1 3.37Å; E179-T182 PolarHBondContact O-N 3.07Å; E179-T182 PolarHBondContact O-OG1 3.36Å; T182-T184 PolarHBondContact O-N 2.69Å
183R70.2Confident83.7Confident30 Ų3035.7 Ų35.711%0.11319%0.19CC..  trans-88.879.4179.5-60-171.7-170.5143.913.1111.3E179 F185 E603E179-R183 IonicContact OE2-CZ 2.86Å; E179-R183 IonicContact OE2-NE 2.68Å; E179-R183 IonicContact OE2-NH2 3.11Å; E179-R183 PolarHBondContact OE2-NH2 3.32Å; R183-F185 HydrophobicContact CB-CE2 4.48Å; R183-F185 HydrophobicContact CB-CZ 4.31Å; R183-F185 PolarHBondContact O-N 3.13Å; R183-E603 IonicContact CZ-OE1 3.92Å; R183-E603 IonicContact NE-OE1 2.78Å; R183-E603 PolarHBondContact NE-OE1 3.33Å; R183-E603 IonicContact NH1-OE1 3.21Å; R183-E603 IonicContact NH2-OE1 2.78Å
184T69.6Low83.9Confident30 Ų3035.8 Ų35.818%0.18419%0.191CC..THydrogen-bonded Turntrans-60.9-27-172.751.60000114.9T182 Y202 K206T182-T184 PolarHBondContact O-N 2.69Å; T184-Y202 WeakPolarHBondContact CA-OH 3.44Å; T184-Y202 VanDerWaalsContact CG2-OH 3.26Å; T184-Y202 WeakPolarHBondContact CG2-OH 3.33Å; T184-K206 HydrophobicContact CG2-CD 3.62Å; T184-K206 HydrophobicContact CG2-CG 4.15Å
185F74.3Confident84.2Confident23 Ų2333 Ų3310%0.10118%0.178CC..THydrogen-bonded Turntrans-84.2-10.1-170.151.7-110.6000115.1R183 H187 P315 R563 N564 G565 E603 L606R183-F185 HydrophobicContact CB-CE2 4.48Å; R183-F185 HydrophobicContact CB-CZ 4.31Å; R183-F185 PolarHBondContact O-N 3.13Å; F185-H187 PolarHBondContact O-N 2.73Å; F185-P315 HydrophobicContact CB-CB 3.9Å; F185-R563 VanDerWaalsContact CB-NH1 3.27Å; F185-R563 WeakPolarHBondContact CB-O 3.41Å; F185-N564 VanDerWaalsContact CD2-O 3.23Å; F185-N564 WeakPolarHBondContact CD2-O 3.47Å; F185-N564 WeakPolarHBondContact CE2-O 3.4Å; F185-G565 VanDerWaalsContact CE2-CA 3.48Å; F185-E603 HydrophobicContact CZ-CG 4.24Å; F185-L606 HydrophobicContact CD1-CD1 4.29Å; F185-L606 HydrophobicContact CE1-CD1 4.27Å; F185-L606 HydrophobicContact CG-CD1 4.44Å; F185-L606 HydrophobicContact CZ-CD1 4.41Å
186D81.8Confident84.6Confident6 Ų627.9 Ų27.93%0.03215%0.147CC..  trans-100.972.9-176.8-167.5-10.5000111.6R177 K188 Y189 L190R177-D186 IonicContact CZ-OD2 3.84Å; R177-D186 IonicContact NH1-OD2 2.71Å; R177-D186 PolarHBondContact NH1-OD2 2.93Å; R177-D186 IonicContact NH2-OD2 3.06Å; R177-D186 PolarHBondContact NH2-OD2 2.97Å; D186-K188 VanDerWaalsContact C-N 3.32Å; D186-K188 PolarHBondContact O-N 2.98Å; D186-Y189 VanDerWaalsContact CG-CD2 3.42Å; D186-Y189 PolarHBondContact O-N 3.13Å; D186-Y189 VanDerWaalsContact OD1-CD2 3.3Å; D186-Y189 WeakPolarHBondContact OD1-CD2 3.47Å; D186-Y189 PolarHBondContact OD1-N 3.13Å; D186-Y189 WeakPolarHBondContact OD2-CD2 3.47Å; D186-L190 PolarHBondContact O-N 2.94Å
187H90.6Very high85.3Confident7 Ų724.9 Ų24.93%0.03213%0.131CC..Hα-helixtrans-60.8-37.8-177.5-59.1158.4000113.1D96 F97 F185 Y189 L190 V191 F199 P315D96-H187 WeakPolarHBondContact OD1-CB 3.24Å; D96-H187 IonicContact OD1-CG 3.19Å; D96-H187 IonicContact OD1-ND1 3.94Å; D96-H187 PolarHBondContact OD1-ND1 2.81Å; D96-H187 IonicContact OD2-CE1 2.75Å; D96-H187 IonicContact OD2-ND1 2.94Å; D96-H187 PolarHBondContact OD2-ND1 3.15Å; D96-H187 VanDerWaalsContact OD2-ND1 3.11Å; F97-H187 HydrophobicContact CD2-CB 4.28Å; F185-H187 PolarHBondContact O-N 2.73Å; H187-Y189 PolarHBondContact O-N 3.48Å; H187-L190 PolarHBondContact O-N 2.81Å; H187-V191 WeakPolarHBondContact O-CG2 3.32Å; H187-V191 PolarHBondContact O-N 2.87Å; H187-F199 HydrophobicContact CB-CE2 3.89Å; H187-F199 HydrophobicContact CB-CZ 3.89Å; H187-F199 AromaticContact CD2-CE2 3.55Å; H187-F199 AromaticContact CD2-CZ 3.74Å; H187-F199 AromaticContact CG-CE2 3.8Å; H187-F199 AromaticContact CG-CZ 3.68Å; H187-P315 PolarHBondContact CE1-O 2.82Å
188K88.7Confident85.9Confident20 Ų2024.6 Ų24.69%0.08713%0.13CC..Hα-helixtrans-58.8-40.2177.5-71-163.1-69-173.80110.9L35 F91 F97 D186 K192 E481L35-K188 HydrophobicContact CD2-CB 4.48Å; F91-K188 HydrophobicContact CE2-CD 4.05Å; F91-K188 HydrophobicContact CE2-CG 4.13Å; F91-K188 HydrophobicContact CZ-CD 4.05Å; F97-K188 HydrophobicContact CE2-CG 4.17Å; D186-K188 VanDerWaalsContact C-N 3.32Å; D186-K188 PolarHBondContact O-N 2.98Å; K188-K192 WeakPolarHBondContact O-CB 3.29Å; K188-K192 PolarHBondContact O-N 3.42Å; K188-E481 IonicContact NZ-OE1 3.86Å; K188-E481 PolarHBondContact NZ-OE1 2.99Å
189Y86.2Confident86.5Confident19 Ų1920.7 Ų20.78%0.07511%0.105CC..Hα-helixtrans-70-46173.6-90.9-95.7000113.1D186 H187 V191 K192 Y193 N576 G577D186-Y189 VanDerWaalsContact CG-CD2 3.42Å; D186-Y189 PolarHBondContact O-N 3.13Å; D186-Y189 VanDerWaalsContact OD1-CD2 3.3Å; D186-Y189 WeakPolarHBondContact OD1-CD2 3.47Å; D186-Y189 PolarHBondContact OD1-N 3.13Å; D186-Y189 WeakPolarHBondContact OD2-CD2 3.47Å; H187-Y189 PolarHBondContact O-N 3.48Å; Y189-V191 VanDerWaalsContact C-N 3.25Å; Y189-V191 PolarHBondContact O-N 3.11Å; Y189-K192 PolarHBondContact O-N 3.07Å; Y189-K192 VanDerWaalsContact O-N 3.13Å; Y189-Y193 AromaticContact CD1-CD2 3.71Å; Y189-Y193 HydrophobicContact CD1-CD2 3.71Å; Y189-Y193 AromaticContact CD1-CE2 3.22Å; Y189-Y193 HydrophobicContact CD1-CE2 3.22Å; Y189-Y193 HydrophobicContact CE1-CD2 4.44Å; Y189-Y193 AromaticContact CE1-CE2 3.53Å; Y189-Y193 HydrophobicContact CE1-CE2 3.53Å; Y189-Y193 HydrophobicContact CG-CE2 4.33Å; Y189-Y193 VanDerWaalsContact O-CD2 3.25Å; Y189-Y193 WeakPolarHBondContact O-CD2 3.35Å; Y189-Y193 PolarHBondContact O-N 3.13Å; Y189-N576 HydrophobicContact CE2-CB 4.45Å; Y189-N576 PolarHBondContact OH-O 2.93Å; Y189-G577 VanDerWaalsContact OH-CA 3.24Å; Y189-G577 WeakPolarHBondContact OH-CA 3.49Å; Y189-G577 PolarHBondContact OH-N 3.26Å; Y189-G577 VanDerWaalsContact OH-N 3.16Å
190L91.5Very high87.3Confident1 Ų116.8 Ų16.81%0.0059%0.089CC..Hα-helixtrans-55.6-43.4177.2-70165.3000111.5L180 L181 D186 H187 L194 F199 Y202L180-L190 HydrophobicContact CD1-CD2 4.37Å; L180-L190 HydrophobicContact CG-CD2 4.16Å; L181-L190 HydrophobicContact CD2-CD2 4.38Å; D186-L190 PolarHBondContact O-N 2.94Å; H187-L190 PolarHBondContact O-N 2.81Å; L190-L194 HydrophobicContact CD2-CD1 4.1Å; L190-L194 WeakPolarHBondContact O-CA 3.41Å; L190-L194 WeakPolarHBondContact O-CB 3.49Å; L190-L194 PolarHBondContact O-N 2.91Å; L190-F199 HydrophobicContact CB-CD2 3.71Å; L190-F199 HydrophobicContact CB-CE2 4.32Å; L190-F199 HydrophobicContact CD1-CD2 4.1Å; L190-F199 HydrophobicContact CD1-CE2 4.08Å; L190-Y202 HydrophobicContact CD1-CD1 3.79Å; L190-Y202 HydrophobicContact CD1-CE1 3.38Å; L190-Y202 HydrophobicContact CD2-CD1 4.47Å; L190-Y202 HydrophobicContact CD2-CE1 4.24Å; L190-Y202 HydrophobicContact CG-CE1 4.45Å
191V93.8Very high87.9Confident0 Ų020.6 Ų20.60%011%0.112CC..Hα-helixtrans-69.8-41.4175.9174.80000112.4Y29 F97 H187 Y189 Y193 G195 P196 F199Y29-V191 HydrophobicContact CE1-CG1 4.19Å; F97-V191 HydrophobicContact CB-CG2 4.31Å; F97-V191 HydrophobicContact CD1-CB 4.47Å; F97-V191 HydrophobicContact CD1-CG1 4.3Å; F97-V191 HydrophobicContact CD1-CG2 3.81Å; F97-V191 HydrophobicContact CD2-CB 4.09Å; F97-V191 HydrophobicContact CD2-CG2 3.59Å; F97-V191 HydrophobicContact CE1-CB 4.15Å; F97-V191 HydrophobicContact CE1-CG1 3.66Å; F97-V191 HydrophobicContact CE1-CG2 4Å; F97-V191 HydrophobicContact CE2-CB 3.74Å; F97-V191 HydrophobicContact CE2-CG1 4.04Å; F97-V191 HydrophobicContact CE2-CG2 3.79Å; F97-V191 HydrophobicContact CG-CB 4.44Å; F97-V191 HydrophobicContact CG-CG2 3.61Å; F97-V191 HydrophobicContact CZ-CB 3.79Å; F97-V191 HydrophobicContact CZ-CG1 3.52Å; F97-V191 HydrophobicContact CZ-CG2 3.99Å; H187-V191 WeakPolarHBondContact O-CG2 3.32Å; H187-V191 PolarHBondContact O-N 2.87Å; Y189-V191 VanDerWaalsContact C-N 3.25Å; Y189-V191 PolarHBondContact O-N 3.11Å; V191-Y193 VanDerWaalsContact C-N 3.27Å; V191-Y193 PolarHBondContact O-N 3.35Å; V191-G195 WeakPolarHBondContact O-CA 3.27Å; V191-G195 PolarHBondContact O-N 3.24Å; V191-P196 HydrophobicContact CG1-CB 4.27Å; V191-F199 HydrophobicContact CG2-CB 3.64Å; V191-F199 HydrophobicContact CG2-CD1 3.71Å; V191-F199 HydrophobicContact CG2-CD2 4.15Å; V191-F199 HydrophobicContact CG2-CE1 4.42Å; V191-F199 HydrophobicContact CG2-CG 3.53Å
192K91.7Very high88.4Confident5 Ų519.2 Ų19.22%0.02210%0.103CC..Hα-helixtrans-57.1-41.9176.6-179.3-177.61791700112.4L35 G36 L46 N49 K188 Y189L35-K192 HydrophobicContact CB-CB 4.35Å; L35-K192 HydrophobicContact CB-CD 4.49Å; L35-K192 HydrophobicContact CB-CG 4.33Å; L35-K192 HydrophobicContact CD1-CB 4.26Å; L35-K192 HydrophobicContact CD2-CB 4.37Å; L35-K192 WeakPolarHBondContact O-CD 3.17Å; L35-K192 PolarHBondContact O-NZ 2.87Å; G36-K192 PolarHBondContact O-NZ 2.9Å; L46-K192 HydrophobicContact CD1-CG 3.91Å; L46-K192 VanDerWaalsContact CD1-O 3.27Å; L46-K192 WeakPolarHBondContact CD1-O 3.28Å; N49-K192 PolarHBondContact ND2-O 2.86Å; K188-K192 WeakPolarHBondContact O-CB 3.29Å; K188-K192 PolarHBondContact O-N 3.42Å; Y189-K192 PolarHBondContact O-N 3.07Å; Y189-K192 VanDerWaalsContact O-N 3.13Å
193Y92.3Very high89.5Confident5 Ų514.6 Ų14.62%0.027%0.074CC..Hα-helixtrans-93.4-34.4-173.5-76-85000113.6Q42 I45 N169 A173 D176 R177 L180 Y189 V191Q42-Y193 PolarHBondContact NE2-OH 2.98Å; I45-Y193 HydrophobicContact CD1-CD1 3.99Å; I45-Y193 HydrophobicContact CD1-CE1 4.01Å; I45-Y193 HydrophobicContact CG2-CD1 4.27Å; I45-Y193 WeakPolarHBondContact CG2-O 3.25Å; N169-Y193 PolarHBondContact ND2-O 3.41Å; A173-Y193 HydrophobicContact CB-CD1 3.7Å; A173-Y193 HydrophobicContact CB-CG 4.16Å; D176-Y193 HydrophobicContact CB-CE1 3.91Å; D176-Y193 VanDerWaalsContact OD2-CE1 3.24Å; D176-Y193 WeakPolarHBondContact OD2-CE1 3.47Å; D176-Y193 VanDerWaalsContact OD2-CZ 3.24Å; D176-Y193 PolarHBondContact OD2-OH 2.82Å; R177-Y193 HydrophobicContact CB-CE1 4.32Å; R177-Y193 HydrophobicContact CB-CE2 4.37Å; L180-Y193 HydrophobicContact CD1-CD2 4.26Å; L180-Y193 HydrophobicContact CD1-CG 4.38Å; L180-Y193 HydrophobicContact CD2-CG 4.28Å; Y189-Y193 AromaticContact CD1-CD2 3.71Å; Y189-Y193 HydrophobicContact CD1-CD2 3.71Å; Y189-Y193 AromaticContact CD1-CE2 3.22Å; Y189-Y193 HydrophobicContact CD1-CE2 3.22Å; Y189-Y193 HydrophobicContact CE1-CD2 4.44Å; Y189-Y193 AromaticContact CE1-CE2 3.53Å; Y189-Y193 HydrophobicContact CE1-CE2 3.53Å; Y189-Y193 HydrophobicContact CG-CE2 4.33Å; Y189-Y193 VanDerWaalsContact O-CD2 3.25Å; Y189-Y193 WeakPolarHBondContact O-CD2 3.35Å; Y189-Y193 PolarHBondContact O-N 3.13Å; V191-Y193 VanDerWaalsContact C-N 3.27Å; V191-Y193 PolarHBondContact O-N 3.35Å
194L93.6Very high90.6Very high3 Ų313.8 Ų13.82%0.0168%0.075CC..Hα-helixtrans-107.7-18.8-176.1-51.6177.7000113.4L170 L180 L181 L190 N198L170-L194 HydrophobicContact CD1-CD2 3.85Å; L180-L194 HydrophobicContact CD2-CD1 4.29Å; L180-L194 HydrophobicContact CD2-CD2 3.88Å; L180-L194 HydrophobicContact CD2-CG 3.95Å; L181-L194 HydrophobicContact CD2-CD1 3.7Å; L190-L194 HydrophobicContact CD2-CD1 4.1Å; L190-L194 WeakPolarHBondContact O-CA 3.41Å; L190-L194 WeakPolarHBondContact O-CB 3.49Å; L190-L194 PolarHBondContact O-N 2.91Å; L194-N198 HydrophobicContact CB-CB 3.85Å; L194-N198 WeakPolarHBondContact O-CB 3.18Å; L194-N198 PolarHBondContact O-ND2 3.32Å
195G94.8Very high91.8Very high0 Ų015.8 Ų15.80%09%0.087CC..Hα-helixtrans85.1158.4-174.200000113.1Y29 N49 V191 Y197 N198 F199Y29-G195 VanDerWaalsContact OH-CA 3.32Å; Y29-G195 WeakPolarHBondContact OH-CA 3.35Å; N49-G195 PolarHBondContact ND2-N 3.45Å; N49-G195 VanDerWaalsContact OD1-CA 3.28Å; N49-G195 WeakPolarHBondContact OD1-CA 3.34Å; V191-G195 WeakPolarHBondContact O-CA 3.27Å; V191-G195 PolarHBondContact O-N 3.24Å; G195-Y197 PolarHBondContact O-N 3.04Å; G195-N198 PolarHBondContact O-N 2.87Å; G195-F199 WeakPolarHBondContact O-CB 3.33Å; G195-F199 PolarHBondContact O-N 3.18Å
196P95.6Very high92.6Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-64-29.1-172.226.2-34.6000112.2T25 Y29 L84 V191 T200T25-P196 HydrophobicContact CG2-CG 3.96Å; Y29-P196 WeakPolarHBondContact OH-CD 3.34Å; L84-P196 HydrophobicContact CD1-CG 3.86Å; V191-P196 HydrophobicContact CG1-CB 4.27Å; P196-T200 PolarHBondContact O-N 2.83Å; P196-T200 PolarHBondContact O-OG1 3.2Å
197Y96.9Very high93Very high2 Ų216.7 Ų16.71%0.0089%0.092CC..Hα-helixtrans-71.2-51.2179.9-55.8-60.5000111.7I21 T25 P50 L53 V54 L80 L83 L84 G195 F199 T200 V201I21-Y197 HydrophobicContact CG2-CE2 3.99Å; I21-Y197 WeakPolarHBondContact CG2-OH 3.45Å; T25-Y197 HydrophobicContact CG2-CE2 4.4Å; T25-Y197 WeakPolarHBondContact OG1-CE2 3.2Å; T25-Y197 PolarHBondContact OG1-OH 3.23Å; P50-Y197 HydrophobicContact CB-CD2 4.32Å; P50-Y197 HydrophobicContact CB-CE2 4.29Å; L53-Y197 WeakPolarHBondContact CD2-O 3.22Å; V54-Y197 HydrophobicContact CG2-CD2 3.46Å; V54-Y197 VanDerWaalsContact CG2-CD2 3.46Å; V54-Y197 HydrophobicContact CG2-CE2 3.41Å; V54-Y197 VanDerWaalsContact CG2-CE2 3.41Å; V54-Y197 HydrophobicContact CG2-CG 4.12Å; L80-Y197 HydrophobicContact CB-CE1 4.11Å; L80-Y197 HydrophobicContact CD2-CD1 3.84Å; L80-Y197 HydrophobicContact CD2-CE1 3.91Å; L80-Y197 VanDerWaalsContact O-CE1 3.27Å; L80-Y197 WeakPolarHBondContact O-CE1 2.97Å; L80-Y197 PolarHBondContact O-OH 3.06Å; L80-Y197 VanDerWaalsContact O-OH 3.06Å; L83-Y197 HydrophobicContact CD2-CD1 4.14Å; L83-Y197 HydrophobicContact CD2-CE1 4.48Å; L84-Y197 HydrophobicContact CB-CE1 4.49Å; L84-Y197 WeakPolarHBondContact CB-OH 3.48Å; G195-Y197 PolarHBondContact O-N 3.04Å; Y197-F199 VanDerWaalsContact C-N 3.31Å; Y197-F199 PolarHBondContact O-N 3.2Å; Y197-T200 WeakPolarHBondContact O-CB 3.42Å; Y197-T200 PolarHBondContact O-N 3.48Å; Y197-V201 PolarHBondContact O-N 3.28Å
198N95.2Very high93.1Very high15 Ų1521.2 Ų21.28%0.0812%0.115CC..Hα-helixtrans-66.9-35.7176.4-67.6-55.4000111.2N49 S52 L53 F166 L194 G195 T200 V201 Y202N49-N198 PolarHBondContact O-ND2 2.64Å; S52-N198 PolarHBondContact OG-ND2 3.34Å; L53-N198 WeakPolarHBondContact CB-OD1 3.4Å; F166-N198 WeakPolarHBondContact CD2-OD1 3.4Å; F166-N198 HydrophobicContact CE2-CB 4.11Å; L194-N198 HydrophobicContact CB-CB 3.85Å; L194-N198 WeakPolarHBondContact O-CB 3.18Å; L194-N198 PolarHBondContact O-ND2 3.32Å; G195-N198 PolarHBondContact O-N 2.87Å; N198-T200 VanDerWaalsContact C-N 3.33Å; N198-T200 PolarHBondContact O-N 3.36Å; N198-V201 PolarHBondContact O-N 2.66Å; N198-Y202 WeakPolarHBondContact O-CB 3.37Å; N198-Y202 PolarHBondContact O-N 2.99Å
199F94.6Very high93.2Very high1 Ų124.1 Ų24.10%0.00413%0.129CC..Hα-helixtrans-57.1-45.3170.2170.6-105.6000111.8F97 L98 T99 H187 L190 V191 G195 Y197 V201 Y202 D203F97-F199 HydrophobicContact CB-CD1 4.1Å; F97-F199 HydrophobicContact CB-CE1 3.5Å; F97-F199 VanDerWaalsContact CB-CE1 3.5Å; F97-F199 HydrophobicContact CB-CZ 4.1Å; F97-F199 HydrophobicContact CG-CE1 4.48Å; L98-F199 WeakPolarHBondContact O-CE1 3.4Å; T99-F199 HydrophobicContact CG2-CZ 4.21Å; H187-F199 HydrophobicContact CB-CE2 3.89Å; H187-F199 HydrophobicContact CB-CZ 3.89Å; H187-F199 AromaticContact CD2-CE2 3.55Å; H187-F199 AromaticContact CD2-CZ 3.74Å; H187-F199 AromaticContact CG-CE2 3.8Å; H187-F199 AromaticContact CG-CZ 3.68Å; L190-F199 HydrophobicContact CB-CD2 3.71Å; L190-F199 HydrophobicContact CB-CE2 4.32Å; L190-F199 HydrophobicContact CD1-CD2 4.1Å; L190-F199 HydrophobicContact CD1-CE2 4.08Å; V191-F199 HydrophobicContact CG2-CB 3.64Å; V191-F199 HydrophobicContact CG2-CD1 3.71Å; V191-F199 HydrophobicContact CG2-CD2 4.15Å; V191-F199 HydrophobicContact CG2-CE1 4.42Å; V191-F199 HydrophobicContact CG2-CG 3.53Å; G195-F199 WeakPolarHBondContact O-CB 3.33Å; G195-F199 PolarHBondContact O-N 3.18Å; Y197-F199 VanDerWaalsContact C-N 3.31Å; Y197-F199 PolarHBondContact O-N 3.2Å; F199-V201 VanDerWaalsContact C-N 3.27Å; F199-V201 PolarHBondContact O-N 2.99Å; F199-Y202 WeakPolarHBondContact O-CB 3.49Å; F199-Y202 PolarHBondContact O-N 3.49Å; F199-Y202 VanDerWaalsContact O-N 3.14Å; F199-D203 HydrophobicContact CE2-CB 4.45Å; F199-D203 HydrophobicContact CZ-CB 4.32Å; F199-D203 WeakPolarHBondContact O-CB 3.5Å; F199-D203 PolarHBondContact O-N 2.82Å
200T95.6Very high93.4Very high25 Ų2524.1 Ų24.115%0.15313%0.13CC..Hα-helixtrans-55.5-43.8176-55.70000111.1L83 F100 P196 Y197 N198 G204L83-T200 HydrophobicContact CD2-CG2 4.16Å; F100-T200 HydrophobicContact CE2-CG2 4.05Å; F100-T200 VanDerWaalsContact CE2-O 3.3Å; F100-T200 WeakPolarHBondContact CE2-O 3.28Å; F100-T200 HydrophobicContact CZ-CG2 4.22Å; P196-T200 PolarHBondContact O-N 2.83Å; P196-T200 PolarHBondContact O-OG1 3.2Å; Y197-T200 WeakPolarHBondContact O-CB 3.42Å; Y197-T200 PolarHBondContact O-N 3.48Å; N198-T200 VanDerWaalsContact C-N 3.33Å; N198-T200 PolarHBondContact O-N 3.36Å; T200-G204 PolarHBondContact O-N 3.02Å
201V95.1Very high93.3Very high81 Ų8128.4 Ų28.449%0.49115%0.153SC..Hα-helixtrans-66.3-45177.3175.90000111.7L53 Y197 N198 F199 D203 G204 V205L53-V201 HydrophobicContact CD1-CG2 4.38Å; L53-V201 HydrophobicContact CD2-CG2 3.41Å; L53-V201 VanDerWaalsContact CD2-CG2 3.41Å; Y197-V201 PolarHBondContact O-N 3.28Å; N198-V201 PolarHBondContact O-N 2.66Å; F199-V201 VanDerWaalsContact C-N 3.27Å; F199-V201 PolarHBondContact O-N 2.99Å; V201-D203 PolarHBondContact O-N 3.45Å; V201-G204 PolarHBondContact O-N 3.14Å; V201-V205 PolarHBondContact O-N 3.1Å; V201-V205 VanDerWaalsContact O-N 3.13Å
202Y93.3Very high93.3Very high30 Ų3033.6 Ų33.612%0.11818%0.177CC..Hα-helixtrans-57.6-47.9177.2172.3-91.2000111.8L181 T184 L190 N198 F199 G204 V205 K206L181-Y202 HydrophobicContact CB-CE2 4.25Å; L181-Y202 HydrophobicContact CD2-CD2 3.92Å; L181-Y202 HydrophobicContact CD2-CE2 3.9Å; L181-Y202 PolarHBondContact O-OH 3.11Å; T184-Y202 WeakPolarHBondContact CA-OH 3.44Å; T184-Y202 VanDerWaalsContact CG2-OH 3.26Å; T184-Y202 WeakPolarHBondContact CG2-OH 3.33Å; L190-Y202 HydrophobicContact CD1-CD1 3.79Å; L190-Y202 HydrophobicContact CD1-CE1 3.38Å; L190-Y202 HydrophobicContact CD2-CD1 4.47Å; L190-Y202 HydrophobicContact CD2-CE1 4.24Å; L190-Y202 HydrophobicContact CG-CE1 4.45Å; N198-Y202 WeakPolarHBondContact O-CB 3.37Å; N198-Y202 PolarHBondContact O-N 2.99Å; F199-Y202 WeakPolarHBondContact O-CB 3.49Å; F199-Y202 PolarHBondContact O-N 3.49Å; F199-Y202 VanDerWaalsContact O-N 3.14Å; Y202-G204 VanDerWaalsContact C-N 3.3Å; Y202-G204 PolarHBondContact O-N 3.43Å; Y202-V205 WeakPolarHBondContact O-CB 3.17Å; Y202-V205 PolarHBondContact O-N 3.17Å; Y202-V205 VanDerWaalsContact O-N 3.16Å; Y202-K206 HydrophobicContact CD1-CG 4.17Å; Y202-K206 HydrophobicContact CE1-CG 3.67Å; Y202-K206 HydrophobicContact CE2-CG 4.26Å; Y202-K206 PolarHBondContact O-N 3Å; Y202-K206 WeakPolarHBondContact OH-CE 3.44Å
203D94Very high93.3Very high3 Ų336.2 Ų36.22%0.01619%0.19CC..Hα-helixtrans-63.5-36178.1175.872.5000111.8T99 F100 F199 V201 V205 K206 T207T99-D203 WeakPolarHBondContact CA-OD2 3.44Å; T99-D203 VanDerWaalsContact CB-OD1 3.29Å; T99-D203 WeakPolarHBondContact CB-OD1 3.43Å; T99-D203 WeakPolarHBondContact CB-OD2 3.31Å; T99-D203 WeakPolarHBondContact CG2-OD1 3.41Å; F100-D203 WeakPolarHBondContact CD2-OD2 3.33Å; F100-D203 PolarHBondContact N-OD2 3.49Å; F199-D203 HydrophobicContact CE2-CB 4.45Å; F199-D203 HydrophobicContact CZ-CB 4.32Å; F199-D203 WeakPolarHBondContact O-CB 3.5Å; F199-D203 PolarHBondContact O-N 2.82Å; V201-D203 PolarHBondContact O-N 3.45Å; D203-V205 VanDerWaalsContact C-N 3.34Å; D203-V205 PolarHBondContact O-N 3.08Å; D203-K206 PolarHBondContact O-N 3.34Å; D203-T207 VanDerWaalsContact O-CB 3.3Å; D203-T207 WeakPolarHBondContact O-CB 3.41Å; D203-T207 PolarHBondContact O-N 2.82Å; D203-T207 PolarHBondContact O-OG1 2.99Å
204G94.1Very high93.4Very high13 Ų1338.5 Ų38.513%0.13420%0.2CC..Hα-helixtrans-59.2-44.2172.200000112.7F100 T200 V201 Y202 I208F100-G204 VanDerWaalsContact CE2-CA 3.43Å; T200-G204 PolarHBondContact O-N 3.02Å; V201-G204 PolarHBondContact O-N 3.14Å; Y202-G204 VanDerWaalsContact C-N 3.3Å; Y202-G204 PolarHBondContact O-N 3.43Å; G204-I208 WeakPolarHBondContact O-CG1 3.46Å; G204-I208 PolarHBondContact O-N 3.16Å
205V94Very high93.5Very high72 Ų7242.6 Ų42.644%0.43623%0.234SC..Hα-helixtrans-64-47.6175.2176.30000110.7V201 Y202 D203 T207 I208 E209V201-V205 PolarHBondContact O-N 3.1Å; V201-V205 VanDerWaalsContact O-N 3.13Å; Y202-V205 WeakPolarHBondContact O-CB 3.17Å; Y202-V205 PolarHBondContact O-N 3.17Å; Y202-V205 VanDerWaalsContact O-N 3.16Å; D203-V205 VanDerWaalsContact C-N 3.34Å; D203-V205 PolarHBondContact O-N 3.08Å; V205-T207 VanDerWaalsContact C-N 3.34Å; V205-T207 PolarHBondContact O-N 3Å; V205-I208 PolarHBondContact O-N 3.45Å; V205-I208 VanDerWaalsContact O-N 3.16Å; V205-E209 HydrophobicContact CG1-CG 4.45Å; V205-E209 WeakPolarHBondContact O-CG 3.41Å; V205-E209 PolarHBondContact O-N 3.04Å
206K91.2Very high93.5Very high39 Ų3949 Ų4917%0.1727%0.268CS..Hα-helixtrans-64.2-36.6179.8-69.8-62.2171.5-166.90113.5T184 Y202 D203 I208 E209 N210T184-K206 HydrophobicContact CG2-CD 3.62Å; T184-K206 HydrophobicContact CG2-CG 4.15Å; Y202-K206 HydrophobicContact CD1-CG 4.17Å; Y202-K206 HydrophobicContact CE1-CG 3.67Å; Y202-K206 HydrophobicContact CE2-CG 4.26Å; Y202-K206 PolarHBondContact O-N 3Å; Y202-K206 WeakPolarHBondContact OH-CE 3.44Å; D203-K206 PolarHBondContact O-N 3.34Å; K206-I208 VanDerWaalsContact C-N 3.33Å; K206-I208 PolarHBondContact O-N 3.2Å; K206-E209 WeakPolarHBondContact CD-OE2 3.24Å; K206-E209 IonicContact NZ-OE2 2.62Å; K206-E209 PolarHBondContact NZ-OE2 2.71Å; K206-E209 PolarHBondContact O-N 3.39Å; K206-N210 VanDerWaalsContact O-CB 3.28Å; K206-N210 WeakPolarHBondContact O-CB 3.29Å; K206-N210 PolarHBondContact O-N 3.45Å; K206-N210 PolarHBondContact O-ND2 3.38Å; K206-N210 VanDerWaalsContact O-ND2 3.16Å
207T91.2Very high93.6Very high10 Ų1049.8 Ų49.86%0.06127%0.274CS..Hα-helixtrans-60.2-44173.2-57.80000111.3F100 D203 V205 N211 Q316F100-T207 HydrophobicContact CB-CG2 4.12Å; D203-T207 VanDerWaalsContact O-CB 3.3Å; D203-T207 WeakPolarHBondContact O-CB 3.41Å; D203-T207 PolarHBondContact O-N 2.82Å; D203-T207 PolarHBondContact O-OG1 2.99Å; V205-T207 VanDerWaalsContact C-N 3.34Å; V205-T207 PolarHBondContact O-N 3Å; T207-N211 WeakPolarHBondContact O-CB 3.16Å; T207-N211 PolarHBondContact O-N 2.69Å; T207-N211 VanDerWaalsContact O-N 3.07Å; T207-N211 PolarHBondContact O-ND2 3.13Å; T207-Q316 PolarHBondContact OG1-NE2 3.26Å
208I92.4Very high93.6Very high101 Ų10151.8 Ų51.852%0.51829%0.288SS..Hα-helixtrans-65.6-47.2177.6-66.6166.1000110.7G204 V205 K206 N211 Q212G204-I208 WeakPolarHBondContact O-CG1 3.46Å; G204-I208 PolarHBondContact O-N 3.16Å; V205-I208 PolarHBondContact O-N 3.45Å; V205-I208 VanDerWaalsContact O-N 3.16Å; K206-I208 VanDerWaalsContact C-N 3.33Å; K206-I208 PolarHBondContact O-N 3.2Å; I208-N211 PolarHBondContact O-N 3.45Å; I208-Q212 WeakPolarHBondContact O-CG 3.39Å; I208-Q212 PolarHBondContact O-N 3.16Å; I208-Q212 VanDerWaalsContact O-N 3.14Å
209E90.9Very high93.7Very high82 Ų8256.1 Ų56.138%0.38331%0.308SS..Hα-helixtrans-57.1-51.2177.2-71.7178177.300111.4V205 K206 N211 Q212 Q213V205-E209 HydrophobicContact CG1-CG 4.45Å; V205-E209 WeakPolarHBondContact O-CG 3.41Å; V205-E209 PolarHBondContact O-N 3.04Å; K206-E209 WeakPolarHBondContact CD-OE2 3.24Å; K206-E209 IonicContact NZ-OE2 2.62Å; K206-E209 PolarHBondContact NZ-OE2 2.71Å; K206-E209 PolarHBondContact O-N 3.39Å; E209-N211 VanDerWaalsContact C-N 3.27Å; E209-N211 PolarHBondContact O-N 3.16Å; E209-Q212 PolarHBondContact O-N 3.26Å; E209-Q213 WeakPolarHBondContact O-CG 3.42Å; E209-Q213 PolarHBondContact O-N 2.81Å
210N90.1Very high93.8Very high18 Ų1861.4 Ų61.410%0.09634%0.337CS..Hα-helixtrans-64.2-30.1-178.6-70.2-25.4000113K206 Q316 N614K206-N210 VanDerWaalsContact O-CB 3.28Å; K206-N210 WeakPolarHBondContact O-CB 3.29Å; K206-N210 PolarHBondContact O-N 3.45Å; K206-N210 PolarHBondContact O-ND2 3.38Å; K206-N210 VanDerWaalsContact O-ND2 3.16Å; N210-Q316 PolarHBondContact ND2-OE1 3.33Å; N210-N614 PolarHBondContact OD1-ND2 2.76Å
211N88.6Confident93.9Very high92 Ų9262.3 Ų62.349%0.49234%0.34SS..Hα-helixtrans-73.8-29.9174.6-74-19.1000112.4T207 I208 E209T207-N211 WeakPolarHBondContact O-CB 3.16Å; T207-N211 PolarHBondContact O-N 2.69Å; T207-N211 VanDerWaalsContact O-N 3.07Å; T207-N211 PolarHBondContact O-ND2 3.13Å; I208-N211 PolarHBondContact O-N 3.45Å; E209-N211 VanDerWaalsContact C-N 3.27Å; E209-N211 PolarHBondContact O-N 3.16Å
212Q93.8Very high94.1Very high109 Ų10958.9 Ų58.951%0.50932%0.319SS..Hα-helixtrans-81.1-24.6177-69.6178.6-6.400113.1I208 E209 K214 A215 L216I208-Q212 WeakPolarHBondContact O-CG 3.39Å; I208-Q212 PolarHBondContact O-N 3.16Å; I208-Q212 VanDerWaalsContact O-N 3.14Å; E209-Q212 PolarHBondContact O-N 3.26Å; Q212-K214 VanDerWaalsContact C-N 3.25Å; Q212-K214 PolarHBondContact O-N 3.42Å; Q212-A215 PolarHBondContact O-N 3.22Å; Q212-L216 HydrophobicContact CB-CD1 4.41Å; Q212-L216 PolarHBondContact O-N 2.8Å; Q212-L216 VanDerWaalsContact O-N 3.16Å
213Q93.2Very high94.3Very high60 Ų6060.5 Ų60.528%0.2833%0.332SS..Hα-helixtrans-54.4-37.5-179.2-79.6-173.2-11.600113.4E209 A215 L216 A217 N614E209-Q213 WeakPolarHBondContact O-CG 3.42Å; E209-Q213 PolarHBondContact O-N 2.81Å; Q213-A215 VanDerWaalsContact C-N 3.29Å; Q213-A215 PolarHBondContact O-N 3.3Å; Q213-L216 PolarHBondContact O-N 2.95Å; Q213-A217 VanDerWaalsContact O-CB 3.27Å; Q213-A217 WeakPolarHBondContact O-CB 3.39Å; Q213-A217 PolarHBondContact O-N 2.94Å; Q213-N614 HydrophobicContact CB-CB 3.94Å; Q213-N614 PolarHBondContact OE1-ND2 3.2Å; Q213-N614 VanDerWaalsContact OE1-ND2 3.12Å
214K93.7Very high94.5Very high52 Ų5266 Ų6623%0.22636%0.356CS..Hα-helixtrans-57.7-43.6176.2-170.5171.8-179.1163.70111.1Q212 D325 N326 N614 D616 R619Q212-K214 VanDerWaalsContact C-N 3.25Å; Q212-K214 PolarHBondContact O-N 3.42Å; K214-D325 VanDerWaalsContact NZ-CG 3.3Å; K214-D325 IonicContact NZ-OD1 3.62Å; K214-D325 PolarHBondContact NZ-OD1 3.12Å; K214-D325 IonicContact NZ-OD2 3.58Å; K214-D325 PolarHBondContact NZ-OD2 3.22Å; K214-N326 PolarHBondContact NZ-OD1 3.4Å; K214-N614 WeakPolarHBondContact CA-O 3.26Å; K214-N614 WeakPolarHBondContact CB-O 3.3Å; K214-N614 PolarHBondContact N-O 2.79Å; K214-D616 HydrophobicContact CD-CB 4.25Å; K214-D616 WeakPolarHBondContact CE-OD2 3.35Å; K214-D616 HydrophobicContact CG-CB 4.12Å; K214-D616 IonicContact NZ-OD2 2.96Å; K214-R619 VanDerWaalsContact O-CZ 3.3Å; K214-R619 PolarHBondContact O-NH1 2.85Å; K214-R619 VanDerWaalsContact O-NH1 3.14Å; K214-R619 PolarHBondContact O-NH2 2.9Å
215A94.9Very high94.7Very high89 Ų8965.4 Ų65.474%0.73635%0.35SS*.Hα-helixtrans-73.4-29.3-179.400000113.3Q212 Q213Q212-A215 PolarHBondContact O-N 3.22Å; Q213-A215 VanDerWaalsContact C-N 3.29Å; Q213-A215 PolarHBondContact O-N 3.3Å
216L95.7Very high94.8Very high135 Ų13563.7 Ų63.771%0.70734%0.338SS*.Hα-helixtrans-90.9-18-176.7-63.3175.1000114.1Q212 Q213Q212-L216 HydrophobicContact CB-CD1 4.41Å; Q212-L216 PolarHBondContact O-N 2.8Å; Q212-L216 VanDerWaalsContact O-N 3.16Å; Q213-L216 PolarHBondContact O-N 2.95Å
217A97.2Very high95.1Very high17 Ų1766.3 Ų66.314%0.1435%0.354CS..  trans-67.8148.8-174.800000113.8Q213 G615 L617 R619 F620Q213-A217 VanDerWaalsContact O-CB 3.27Å; Q213-A217 WeakPolarHBondContact O-CB 3.39Å; Q213-A217 PolarHBondContact O-N 2.94Å; A217-G615 WeakPolarHBondContact CB-O 3.35Å; A217-L617 HydrophobicContact CB-CD2 3.74Å; A217-R619 PolarHBondContact O-NH2 2.85Å; A217-F620 HydrophobicContact CB-CE2 4.31Å; A217-F620 WeakPolarHBondContact O-CE2 3.46Å; A217-F620 WeakPolarHBondContact O-CZ 3.45Å
218S97Very high95.4Very high43 Ų4367.3 Ų67.330%0.30136%0.357SS..  trans-131.3173-171.7690000113.9D220 D221 L222S218-D220 PolarHBondContact O-N 2.98Å; S218-D220 PolarHBondContact OG-N 3.21Å; S218-D221 PolarHBondContact N-OD2 2.79Å; S218-D221 PolarHBondContact O-N 3.45Å; S218-D221 PolarHBondContact OG-OD2 2.71Å; S218-L222 PolarHBondContact O-N 3.28Å
219E96.7Very high95.5Very high107 Ų10762.7 Ų62.750%0.533%0.333SS..Hα-helixtrans-63.6-27.7172.3-58.7-165.3158.600112.5D221 L222 T223 F620E219-D221 VanDerWaalsContact C-N 3.33Å; E219-L222 PolarHBondContact O-N 2.83Å; E219-T223 PolarHBondContact O-N 3.43Å; E219-T223 PolarHBondContact O-OG1 3.41Å; E219-F620 HydrophobicContact CG-CB 4.1Å; E219-F620 HydrophobicContact CG-CD1 3.89Å; E219-F620 HydrophobicContact CG-CG 4.13Å
220D97.9Very high95.6Very high112 Ų11265.8 Ų65.860%0.59935%0.346SS*.Hα-helixtrans-67.1-36.4176.7-73.7-13.5000111.5S218 T223 K224S218-D220 PolarHBondContact O-N 2.98Å; S218-D220 PolarHBondContact OG-N 3.21Å; D220-T223 WeakPolarHBondContact O-CB 3.33Å; D220-T223 PolarHBondContact O-N 3.16Å; D220-K224 WeakPolarHBondContact O-CG 3.48Å; D220-K224 PolarHBondContact O-N 3.46Å
221D98Very high95.6Very high44 Ų4472.8 Ų72.824%0.23538%0.377CS..Hα-helixtrans-67.1-40.9177.5-57.5-49.7000111.1S218 E219 T223 K224 V225 L617S218-D221 PolarHBondContact N-OD2 2.79Å; S218-D221 PolarHBondContact O-N 3.45Å; S218-D221 PolarHBondContact OG-OD2 2.71Å; E219-D221 VanDerWaalsContact C-N 3.33Å; D221-T223 VanDerWaalsContact C-N 3.33Å; D221-T223 PolarHBondContact O-N 2.81Å; D221-K224 PolarHBondContact O-N 2.82Å; D221-K224 IonicContact OD1-NZ 2.81Å; D221-K224 PolarHBondContact OD1-NZ 3.06Å; D221-V225 WeakPolarHBondContact O-CG2 3.2Å; D221-V225 PolarHBondContact O-N 3.25Å; D221-L617 HydrophobicContact CB-CD1 4.22Å; D221-L617 HydrophobicContact CB-CD2 3.91Å
222L98.2Very high95.6Very high8 Ų870.8 Ų70.84%0.04236%0.363CS..Hα-helixtrans-59.4-44.9170.3173.766.7000111.2S218 E219 K224 V225 L226 L545 L617 F620 Y621S218-L222 PolarHBondContact O-N 3.28Å; E219-L222 PolarHBondContact O-N 2.83Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 PolarHBondContact O-N 2.81Å; L222-V225 PolarHBondContact O-N 3.27Å; L222-V225 VanDerWaalsContact O-N 3.15Å; L222-L226 HydrophobicContact CD1-CD1 3.98Å; L222-L226 HydrophobicContact CD1-CD2 4.42Å; L222-L226 HydrophobicContact CD1-CG 3.9Å; L222-L226 HydrophobicContact CD2-CD1 4.18Å; L222-L226 HydrophobicContact CG-CD1 3.77Å; L222-L226 HydrophobicContact CG-CG 4.12Å; L222-L226 WeakPolarHBondContact O-CG 3.3Å; L222-L226 PolarHBondContact O-N 3.41Å; L222-L545 HydrophobicContact CD1-CD1 4.2Å; L222-L617 HydrophobicContact CB-CB 4.27Å; L222-L617 HydrophobicContact CD1-CB 4.17Å; L222-F620 HydrophobicContact CB-CB 4.44Å; L222-F620 HydrophobicContact CD2-CB 3.8Å; L222-Y621 HydrophobicContact CD1-CG 4.44Å; L222-Y621 VanDerWaalsContact CD2-CA 3.43Å; L222-Y621 HydrophobicContact CD2-CD2 4.27Å; L222-Y621 HydrophobicContact CD2-CG 4.05Å
223T97.8Very high95.4Very high65 Ų6568.6 Ų68.640%0.39935%0.353SS..Hα-helixtrans-60.9-40.5-178.8-60.70000111.8E219 D220 D221 V225 L226 N227E219-T223 PolarHBondContact O-N 3.43Å; E219-T223 PolarHBondContact O-OG1 3.41Å; D220-T223 WeakPolarHBondContact O-CB 3.33Å; D220-T223 PolarHBondContact O-N 3.16Å; D221-T223 VanDerWaalsContact C-N 3.33Å; D221-T223 PolarHBondContact O-N 2.81Å; T223-V225 PolarHBondContact O-N 3.32Å; T223-L226 PolarHBondContact O-N 2.95Å; T223-N227 WeakPolarHBondContact O-CB 3.28Å; T223-N227 VanDerWaalsContact O-CG 3.27Å; T223-N227 PolarHBondContact O-N 3.18Å; T223-N227 PolarHBondContact O-ND2 2.93Å
224K97.8Very high95.3Very high117 Ų11767 Ų6751%0.50935%0.347SS..Hα-helixtrans-58.6-46.5174.1-67.9166.7-160.41580111.4D220 D221 L222 Y228D220-K224 WeakPolarHBondContact O-CG 3.48Å; D220-K224 PolarHBondContact O-N 3.46Å; D221-K224 PolarHBondContact O-N 2.82Å; D221-K224 IonicContact OD1-NZ 2.81Å; D221-K224 PolarHBondContact OD1-NZ 3.06Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 PolarHBondContact O-N 2.81Å; K224-Y228 WeakPolarHBondContact O-CB 3.35Å; K224-Y228 PolarHBondContact O-N 2.78Å; K224-Y228 VanDerWaalsContact O-N 3.11Å
225V98Very high95.3Very high1 Ų172 Ų721%0.00637%0.371CS..Hα-helixtrans-67.8-44.8179.7-175.60000111.2D221 L222 T223 N227 Y228 T229 L545 F547 M608 V612 L617D221-V225 WeakPolarHBondContact O-CG2 3.2Å; D221-V225 PolarHBondContact O-N 3.25Å; L222-V225 PolarHBondContact O-N 3.27Å; L222-V225 VanDerWaalsContact O-N 3.15Å; T223-V225 PolarHBondContact O-N 3.32Å; V225-N227 PolarHBondContact O-N 2.93Å; V225-Y228 WeakPolarHBondContact O-CB 3.47Å; V225-Y228 PolarHBondContact O-N 3.3Å; V225-Y228 VanDerWaalsContact O-N 3.11Å; V225-T229 HydrophobicContact CG1-CG2 4.06Å; V225-T229 PolarHBondContact O-N 3.44Å; V225-T229 PolarHBondContact O-OG1 3.14Å; V225-L545 HydrophobicContact CB-CD1 4.27Å; V225-L545 HydrophobicContact CG1-CD1 3.66Å; V225-L545 HydrophobicContact CG1-CD2 4.08Å; V225-L545 HydrophobicContact CG1-CG 4.04Å; V225-F547 HydrophobicContact CG1-CZ 4.06Å; V225-M608 HydrophobicContact CB-SD 4.47Å; V225-M608 HydrophobicContact CG1-CB 4.48Å; V225-M608 HydrophobicContact CG2-SD 3.74Å; V225-V612 HydrophobicContact CB-CG2 4.28Å; V225-V612 HydrophobicContact CG1-CG2 3.67Å; V225-V612 HydrophobicContact CG2-CG2 4.06Å; V225-L617 HydrophobicContact CG2-CD1 3.9Å
226L97.4Very high95.3Very high36 Ų3669.3 Ų69.319%0.18835%0.346CS..Hα-helixtrans-60.7-43.5179-72.8175.7000112.3L222 T223 Y228 T229 K230 L545 Y621L222-L226 HydrophobicContact CD1-CD1 3.98Å; L222-L226 HydrophobicContact CD1-CD2 4.42Å; L222-L226 HydrophobicContact CD1-CG 3.9Å; L222-L226 HydrophobicContact CD2-CD1 4.18Å; L222-L226 HydrophobicContact CG-CD1 3.77Å; L222-L226 HydrophobicContact CG-CG 4.12Å; L222-L226 WeakPolarHBondContact O-CG 3.3Å; L222-L226 PolarHBondContact O-N 3.41Å; T223-L226 PolarHBondContact O-N 2.95Å; L226-Y228 VanDerWaalsContact C-N 3.27Å; L226-Y228 PolarHBondContact O-N 3.3Å; L226-T229 PolarHBondContact O-OG1 2.5Å; L226-K230 WeakPolarHBondContact O-CB 3.35Å; L226-K230 PolarHBondContact O-N 2.8Å; L226-L545 HydrophobicContact CD2-CB 4.05Å; L226-L545 HydrophobicContact CD2-CD1 4.02Å; L226-L545 HydrophobicContact CD2-CG 4.25Å; L226-Y621 HydrophobicContact CD1-CD2 4.13Å; L226-Y621 HydrophobicContact CD1-CE1 4.35Å; L226-Y621 HydrophobicContact CD1-CE2 3.86Å; L226-Y621 HydrophobicContact CD1-CG 4.5Å; L226-Y621 HydrophobicContact CD2-CD1 4.14Å; L226-Y621 HydrophobicContact CD2-CE1 3.55Å; L226-Y621 HydrophobicContact CD2-CE2 4.44Å
227N96.6Very high95.4Very high94 Ų9464.2 Ų64.250%0.50332%0.32SS..Hα-helixtrans-61.5-39.8175.7-75.1-22.2000111.4T223 V225 Q231T223-N227 WeakPolarHBondContact O-CB 3.28Å; T223-N227 VanDerWaalsContact O-CG 3.27Å; T223-N227 PolarHBondContact O-N 3.18Å; T223-N227 PolarHBondContact O-ND2 2.93Å; V225-N227 PolarHBondContact O-N 2.93Å; N227-Q231 WeakPolarHBondContact O-CG 3.33Å
228Y96.7Very high95.3Very high32 Ų3269 Ų6913%0.12535%0.35CS..Hα-helixtrans-66.6-50.9177.7-179.2-106.1000112.5K224 V225 L226 K230 Q231 F547 Q601 K604 D605 M608K224-Y228 WeakPolarHBondContact O-CB 3.35Å; K224-Y228 PolarHBondContact O-N 2.78Å; K224-Y228 VanDerWaalsContact O-N 3.11Å; V225-Y228 WeakPolarHBondContact O-CB 3.47Å; V225-Y228 PolarHBondContact O-N 3.3Å; V225-Y228 VanDerWaalsContact O-N 3.11Å; L226-Y228 VanDerWaalsContact C-N 3.27Å; L226-Y228 PolarHBondContact O-N 3.3Å; Y228-K230 PolarHBondContact O-N 3.2Å; Y228-Q231 PolarHBondContact O-N 3.48Å; Y228-F547 HydrophobicContact CD1-CE1 4.18Å; Y228-F547 HydrophobicContact CE1-CE1 4.02Å; Y228-Q601 PolarHBondContact OH-NE2 3.34Å; Y228-K604 HydrophobicContact CD2-CG 4.32Å; Y228-K604 HydrophobicContact CE1-CG 4.33Å; Y228-K604 HydrophobicContact CE2-CB 4.36Å; Y228-K604 HydrophobicContact CE2-CG 3.59Å; Y228-K604 WeakPolarHBondContact OH-CB 3.3Å; Y228-K604 WeakPolarHBondContact OH-CG 3.45Å; Y228-D605 WeakPolarHBondContact CE1-OD1 3.47Å; Y228-D605 PolarHBondContact OH-OD1 3.34Å; Y228-M608 HydrophobicContact CD1-CB 4.16Å; Y228-M608 HydrophobicContact CD1-CG 3.83Å; Y228-M608 HydrophobicContact CE1-CB 4.35Å; Y228-M608 HydrophobicContact CE1-CG 4.11Å; Y228-M608 HydrophobicContact CG-CG 4.26Å
229T95.7Very high95.3Very high3 Ų372.7 Ų72.72%0.01836%0.362CS..Hα-helixtrans-68-35.1-178.457.10000112V225 L226 Q231 R232 Q233 L545 F547V225-T229 HydrophobicContact CG1-CG2 4.06Å; V225-T229 PolarHBondContact O-N 3.44Å; V225-T229 PolarHBondContact O-OG1 3.14Å; L226-T229 PolarHBondContact O-OG1 2.5Å; T229-Q231 VanDerWaalsContact C-N 3.28Å; T229-Q231 PolarHBondContact O-N 2.81Å; T229-R232 CarbonylContact O-C 3.47Å; T229-R232 PolarHBondContact O-N 3.16Å; T229-Q233 PolarHBondContact O-N 2.84Å; T229-Q233 VanDerWaalsContact O-N 3.14Å; T229-L545 HydrophobicContact CG2-CD2 4.03Å; T229-L545 HydrophobicContact CG2-CG 4.11Å; T229-F547 HydrophobicContact CG2-CD1 4.5Å; T229-F547 HydrophobicContact CG2-CD2 4.45Å; T229-F547 HydrophobicContact CG2-CE1 4.17Å; T229-F547 HydrophobicContact CG2-CE2 4.16Å; T229-F547 HydrophobicContact CG2-CZ 4Å
230K92.9Very high95.3Very high148 Ų14869.3 Ų69.364%0.64335%0.345SS*.Hα-helixtrans-60.7-35.7177.8-175.4176.6-178.9-1800112.8L226 Y228 R232L226-K230 WeakPolarHBondContact O-CB 3.35Å; L226-K230 PolarHBondContact O-N 2.8Å; Y228-K230 PolarHBondContact O-N 3.2Å; K230-R232 PolarHBondContact O-N 2.65Å
231Q90.1Very high95.4Very high164 Ų16468.2 Ų68.277%0.76633%0.333SS*.THydrogen-bonded Turntrans-70-15.1176.4-68.7174.87.500113.2N227 Y228 T229N227-Q231 WeakPolarHBondContact O-CG 3.33Å; Y228-Q231 PolarHBondContact O-N 3.48Å; T229-Q231 VanDerWaalsContact C-N 3.28Å; T229-Q231 PolarHBondContact O-N 2.81Å
232R88.7Confident95.4Very high51 Ų5167.2 Ų67.219%0.19233%0.333CS..THydrogen-bonded Turntrans-107.5-7.2-175.8-61177.65751.7-0.7113T229 K230 T234 N557 Q601 D605T229-R232 CarbonylContact O-C 3.47Å; T229-R232 PolarHBondContact O-N 3.16Å; K230-R232 PolarHBondContact O-N 2.65Å; R232-T234 PolarHBondContact O-N 2.68Å; R232-N557 PolarHBondContact NH2-ND2 3.29Å; R232-N557 VanDerWaalsContact NH2-ND2 3.15Å; R232-Q601 VanDerWaalsContact NE-NE2 3.11Å; R232-Q601 VanDerWaalsContact NH1-CD 3.28Å; R232-D605 IonicContact CZ-OD1 3.84Å; R232-D605 IonicContact CZ-OD2 3.35Å; R232-D605 IonicContact NE-OD1 2.93Å; R232-D605 PolarHBondContact NE-OD1 2.89Å; R232-D605 IonicContact NE-OD2 3.92Å; R232-D605 IonicContact NH2-OD1 3.44Å; R232-D605 PolarHBondContact NH2-OD1 2.84Å; R232-D605 IonicContact NH2-OD2 3.48Å; R232-D605 PolarHBondContact NH2-OD2 3.49Å
233Q88.5Confident95.4Very high63 Ų6369.1 Ų69.129%0.29435%0.345SS..PPolyproline II helixtrans-60.5134.2176.2-78.7175.6-24.500110.4T229 T541 K542 Y544T229-Q233 PolarHBondContact O-N 2.84Å; T229-Q233 VanDerWaalsContact O-N 3.14Å; Q233-T541 PolarHBondContact NE2-O 2.96Å; Q233-K542 PolarHBondContact NE2-O 2.76Å; Q233-K542 PolarHBondContact OE1-O 2.86Å; Q233-Y544 PolarHBondContact NE2-O 3.23Å
234T92.2Very high95.4Very high25 Ų2566.2 Ų66.215%0.15333%0.327CS..PPolyproline II helixtrans-104137.9179.155.60000110.4R232 T549 G555R232-T234 PolarHBondContact O-N 2.68Å; T234-T549 HydrophobicContact CG2-CG2 3.53Å; T234-G555 WeakPolarHBondContact CG2-O 3.5Å
235E93.9Very high95.4Very high157 Ų15766.6 Ų66.673%0.73433%0.329SS*.PPolyproline II helixtrans-60.2139172.2-67.7-60.6143.200110.9S553E235-S553 VanDerWaalsContact O-CB 3.32Å; E235-S553 WeakPolarHBondContact O-CB 3.49Å; E235-S553 PolarHBondContact O-OG 3.03Å
236P94.7Very high95.4Very high33 Ų3371.4 Ų71.421%0.21435%0.35CS..PPolyproline II helixtrans-63.3151.7175.827.5-34.8000111P238 Y241 H535P236-P238 VanDerWaalsContact O-CD 3.29Å; P236-P238 WeakPolarHBondContact O-CD 3.35Å; P236-Y241 HydrophobicContact CB-CD2 3.39Å; P236-Y241 HydrophobicContact CB-CE2 4.13Å; P236-Y241 HydrophobicContact CB-CG 4Å; P236-Y241 HydrophobicContact CG-CD2 3.75Å; P236-Y241 HydrophobicContact CG-CE2 4.14Å; P236-Y241 HydrophobicContact CG-CG 4.24Å; P236-H535 HydrophobicContact CB-CB 4.31Å; P236-H535 WeakPolarHBondContact CB-ND1 3.38Å
237N96.6Very high95.4Very high28 Ų2872.6 Ų72.615%0.1535%0.353CS..PPolyproline II helixtrans-73.8118.9169.3-175.9-25.7000110.2E239 Y240 Y241 F552N237-E239 PolarHBondContact O-N 3.23Å; N237-E239 VanDerWaalsContact OD1-CB 3.32Å; N237-E239 WeakPolarHBondContact OD1-CB 3.44Å; N237-E239 PolarHBondContact OD1-N 3.38Å; N237-Y240 HydrophobicContact CB-CD2 4.31Å; N237-Y240 PolarHBondContact O-N 3.18Å; N237-Y241 WeakPolarHBondContact O-CB 3.44Å; N237-Y241 PolarHBondContact O-N 3.25Å; N237-F552 HydrophobicContact CB-CB 4.28Å; N237-F552 WeakPolarHBondContact CB-O 3.26Å; N237-F552 PolarHBondContact ND2-O 3.07Å
238P96.5Very high95.5Very high119 Ų11968.2 Ų68.277%0.77333%0.33SS*.THydrogen-bonded Turntrans-58.1-25-178.2-25.535.3000114.3P236 Y240P236-P238 VanDerWaalsContact O-CD 3.29Å; P236-P238 WeakPolarHBondContact O-CD 3.35Å; P238-Y240 VanDerWaalsContact C-N 3.33Å
239E96.3Very high95.7Very high119 Ų11966.9 Ų66.956%0.55633%0.325SS*.THydrogen-bonded Turntrans-75.3-23179.1-154.3-150.4125.600113N237 K515N237-E239 PolarHBondContact O-N 3.23Å; N237-E239 VanDerWaalsContact OD1-CB 3.32Å; N237-E239 WeakPolarHBondContact OD1-CB 3.44Å; N237-E239 PolarHBondContact OD1-N 3.38Å; E239-K515 WeakPolarHBondContact O-CE 3.22Å; E239-K515 PolarHBondContact O-NZ 2.85Å; E239-K515 IonicContact OE1-NZ 3.64Å; E239-K515 PolarHBondContact OE1-NZ 3.21Å
240Y97.8Very high95.8Very high37 Ų3766.7 Ų66.715%0.14532%0.324CS..THydrogen-bonded Turntrans-110.8-26.2-176.4-76.3-93.6000112.8N237 P238 G242 V243 I512 K515 L536 F552N237-Y240 HydrophobicContact CB-CD2 4.31Å; N237-Y240 PolarHBondContact O-N 3.18Å; P238-Y240 VanDerWaalsContact C-N 3.33Å; Y240-G242 PolarHBondContact O-N 3.32Å; Y240-G242 VanDerWaalsContact O-N 3.17Å; Y240-V243 WeakPolarHBondContact O-CB 3.3Å; Y240-V243 WeakPolarHBondContact O-CG1 3.5Å; Y240-V243 PolarHBondContact O-N 3.41Å; Y240-V243 VanDerWaalsContact O-N 3.13Å; Y240-I512 HydrophobicContact CD1-CD1 4.01Å; Y240-I512 HydrophobicContact CE1-CD1 3.96Å; Y240-K515 HydrophobicContact CE1-CD 4.35Å; Y240-K515 HydrophobicContact CE1-CG 4.18Å; Y240-L536 HydrophobicContact CD1-CD2 3.88Å; Y240-L536 HydrophobicContact CG-CD2 4.43Å; Y240-F552 HydrophobicContact CD1-CB 4.35Å; Y240-F552 HydrophobicContact CD1-CD1 4.07Å; Y240-F552 AromaticContact CD1-CD2 3.98Å; Y240-F552 HydrophobicContact CD1-CD2 3.98Å; Y240-F552 HydrophobicContact CD1-CE1 4.39Å; Y240-F552 HydrophobicContact CD1-CE2 4.31Å; Y240-F552 AromaticContact CD1-CG 3.85Å; Y240-F552 HydrophobicContact CD1-CG 3.85Å; Y240-F552 HydrophobicContact CD2-CB 3.93Å; Y240-F552 HydrophobicContact CD2-CD1 4.39Å; Y240-F552 HydrophobicContact CD2-CG 4.2Å; Y240-F552 AromaticContact CE1-CD1 3.74Å; Y240-F552 HydrophobicContact CE1-CD1 3.74Å; Y240-F552 HydrophobicContact CE1-CD2 4.37Å; Y240-F552 AromaticContact CE1-CE1 3.82Å; Y240-F552 HydrophobicContact CE1-CE1 3.82Å; Y240-F552 HydrophobicContact CE1-CE2 4.45Å; Y240-F552 HydrophobicContact CE1-CG 4.03Å; Y240-F552 HydrophobicContact CE1-CZ 4.19Å; Y240-F552 HydrophobicContact CE2-CB 4.38Å; Y240-F552 HydrophobicContact CE2-CD1 4.11Å; Y240-F552 HydrophobicContact CE2-CG 4.38Å; Y240-F552 HydrophobicContact CG-CB 3.91Å; Y240-F552 HydrophobicContact CG-CD1 4.37Å; Y240-F552 HydrophobicContact CG-CD2 4.3Å; Y240-F552 AromaticContact CG-CG 3.93Å; Y240-F552 HydrophobicContact CG-CG 3.93Å; Y240-F552 AromaticContact CZ-CD1 3.76Å
241Y98.3Very high96.1Very high89 Ų8959.7 Ų59.735%0.34929%0.293SS..THydrogen-bonded Turntrans-58.6121-177-171-101.2000111.8P236 N237 V243 H535 G538 D540P236-Y241 HydrophobicContact CB-CD2 3.39Å; P236-Y241 HydrophobicContact CB-CE2 4.13Å; P236-Y241 HydrophobicContact CB-CG 4Å; P236-Y241 HydrophobicContact CG-CD2 3.75Å; P236-Y241 HydrophobicContact CG-CE2 4.14Å; P236-Y241 HydrophobicContact CG-CG 4.24Å; N237-Y241 WeakPolarHBondContact O-CB 3.44Å; N237-Y241 PolarHBondContact O-N 3.25Å; Y241-V243 PolarHBondContact O-N 3.17Å; Y241-H535 CarbonylContact C-O 3.56Å; Y241-H535 WeakPolarHBondContact CA-O 3.43Å; Y241-H535 HydrophobicContact CD2-CB 4.01Å; Y241-H535 WeakPolarHBondContact CD2-O 3.37Å; Y241-H535 HydrophobicContact CE2-CB 4.49Å; Y241-G538 PolarHBondContact OH-O 3.14Å; Y241-D540 PolarHBondContact OH-N 3.43Å
242G98.5Very high96.5Very high22 Ų2251.9 Ų51.923%0.22726%0.257CS..THydrogen-bonded Turntrans73.91.6178.600000116Y240 A244 K245 H535 L536 G538Y240-G242 PolarHBondContact O-N 3.32Å; Y240-G242 VanDerWaalsContact O-N 3.17Å; G242-A244 PolarHBondContact O-N 2.97Å; G242-K245 WeakPolarHBondContact O-CB 3.24Å; G242-K245 PolarHBondContact O-N 3.32Å; G242-H535 PolarHBondContact N-O 3.48Å; G242-L536 CarbonylContact C-O 3.59Å; G242-L536 VanDerWaalsContact CA-O 3.23Å; G242-L536 WeakPolarHBondContact CA-O 3.43Å; G242-L536 PolarHBondContact N-O 2.71Å; G242-G538 VanDerWaalsContact CA-CA 3.46Å
243V98.2Very high97Very high49 Ų4949.4 Ų49.430%0.29725%0.248SC..THydrogen-bonded Turntrans-61.2-28.618075.60000112.5Y240 Y241 I512 K515 L536Y240-V243 WeakPolarHBondContact O-CB 3.3Å; Y240-V243 WeakPolarHBondContact O-CG1 3.5Å; Y240-V243 PolarHBondContact O-N 3.41Å; Y240-V243 VanDerWaalsContact O-N 3.13Å; Y241-V243 PolarHBondContact O-N 3.17Å; V243-I512 HydrophobicContact CG1-CG2 3.52Å; V243-K515 HydrophobicContact CG2-CG 4.41Å; V243-L536 HydrophobicContact CG1-CD2 3.86Å; V243-L536 PolarHBondContact N-O 2.87Å
244A97.9Very high97.5Very high3 Ų346.4 Ų46.43%0.02523%0.234CC..THydrogen-bonded Turntrans-104.319178.400000113.4G242 K246 K247 V469 L536G242-A244 PolarHBondContact O-N 2.97Å; A244-K246 PolarHBondContact O-N 3.04Å; A244-K247 HydrophobicContact CB-CB 4.33Å; A244-K247 HydrophobicContact CB-CG 4.18Å; A244-K247 WeakPolarHBondContact O-CB 3.33Å; A244-K247 WeakPolarHBondContact O-CG 3.31Å; A244-K247 PolarHBondContact O-N 3.22Å; A244-V469 HydrophobicContact CB-CG2 3.38Å; A244-L536 CarbonylContact C-O 3.21Å; A244-L536 WeakPolarHBondContact CA-O 3.14Å; A244-L536 HydrophobicContact CB-CB 4.04Å; A244-L536 WeakPolarHBondContact CB-O 3.43Å; A244-L536 PolarHBondContact N-O 2.77Å
245K98.2Very high97.8Very high125 Ų12545.3 Ų45.354%0.54323%0.227SC..THydrogen-bonded Turntrans-54127.8176.8-176170.1-175.8175.60110.9G242 K247 L536G242-K245 WeakPolarHBondContact O-CB 3.24Å; G242-K245 PolarHBondContact O-N 3.32Å; K245-K247 PolarHBondContact O-N 3.35Å; K245-L536 PolarHBondContact N-O 2.84Å
246K97.6Very high98Very high102 Ų10238 Ų3844%0.44319%0.193SC..THydrogen-bonded Turntrans58.819.6-179-58.7-73.8-175.8164.30114.9A244 Q339 Y341 P405A244-K246 PolarHBondContact O-N 3.04Å; K246-Q339 HydrophobicContact CD-CB 4.29Å; K246-Q339 PolarHBondContact NZ-O 2.66Å; K246-Y341 VanDerWaalsContact CA-OH 3.31Å; K246-Y341 WeakPolarHBondContact CA-OH 3.32Å; K246-Y341 PolarHBondContact N-OH 3.18Å; K246-P405 HydrophobicContact CD-CG 4.03Å
247K98.6Very high98.2Very high61 Ų6136.5 Ų36.527%0.26518%0.183SC..  trans-83.8152.5168.5-57.5-56.7-176.3-174.10110A244 K245 Y341 N467 P513A244-K247 HydrophobicContact CB-CB 4.33Å; A244-K247 HydrophobicContact CB-CG 4.18Å; A244-K247 WeakPolarHBondContact O-CB 3.33Å; A244-K247 WeakPolarHBondContact O-CG 3.31Å; A244-K247 PolarHBondContact O-N 3.22Å; K245-K247 PolarHBondContact O-N 3.35Å; K247-Y341 PolarHBondContact N-OH 2.78Å; K247-Y341 WeakPolarHBondContact O-CE1 3.29Å; K247-Y341 VanDerWaalsContact O-CZ 3.23Å; K247-Y341 PolarHBondContact O-OH 3.11Å; K247-N467 WeakPolarHBondContact CD-OD1 3.36Å; K247-N467 WeakPolarHBondContact CE-OD1 3.35Å; K247-N467 PolarHBondContact NZ-OD1 2.86Å; K247-P513 HydrophobicContact CB-CG 4.41Å; K247-P513 HydrophobicContact CD-CB 4.44Å; K247-P513 HydrophobicContact CD-CG 4.39Å; K247-P513 HydrophobicContact CG-CB 4.44Å; K247-P513 HydrophobicContact CG-CG 4.12Å
248N98.9Very high98.3Very high2 Ų235.2 Ų35.21%0.01118%0.176CC..EExtended strand (participates in β ladder)trans-65.5150.9171.1-56.5-37.9000109.2S404 P405 F406 N467 S468 V469N248-S404 PolarHBondContact ND2-OG 2.96Å; N248-S404 WeakPolarHBondContact OD1-CA 3.28Å; N248-S404 VanDerWaalsContact OD1-CB 3.22Å; N248-S404 WeakPolarHBondContact OD1-CB 3.3Å; N248-S404 PolarHBondContact OD1-OG 3.42Å; N248-S404 VanDerWaalsContact OD1-OG 3.14Å; N248-P405 VanDerWaalsContact OD1-CA 3.31Å; N248-P405 WeakPolarHBondContact OD1-CA 2.91Å; N248-F406 CarbonylContact C-O 3.46Å; N248-F406 WeakPolarHBondContact CA-O 3.41Å; N248-F406 HydrophobicContact CB-CD1 4.1Å; N248-F406 HydrophobicContact CB-CD2 4.16Å; N248-F406 HydrophobicContact CB-CE1 3.85Å; N248-F406 HydrophobicContact CB-CE2 3.9Å; N248-F406 HydrophobicContact CB-CG 4.25Å; N248-F406 HydrophobicContact CB-CZ 3.74Å; N248-F406 VanDerWaalsContact CG-CD1 3.46Å; N248-F406 VanDerWaalsContact ND2-CE1 3.26Å; N248-F406 WeakPolarHBondContact ND2-CE1 3.42Å; N248-F406 VanDerWaalsContact OD1-CD1 3.23Å; N248-F406 WeakPolarHBondContact OD1-CD1 3.48Å; N248-F406 WeakPolarHBondContact OD1-CE1 3.26Å; N248-F406 PolarHBondContact OD1-N 3.39Å; N248-F406 VanDerWaalsContact OD1-N 3.12Å; N248-N467 PolarHBondContact N-O 3.35Å; N248-S468 WeakPolarHBondContact CB-OG 3.38Å; N248-S468 CarbonylContact O-C 3.54Å; N248-S468 VanDerWaalsContact O-CA 3.3Å; N248-S468 WeakPolarHBondContact O-CA 3.18Å; N248-V469 PolarHBondContact O-N 2.98Å
249I98.9Very high98.3Very high4 Ų430.4 Ų30.42%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-121.5115.2176.1-63.7162.3000106.9L335 Y341 F406 Y407 S408 V469 M471 I533I249-L335 HydrophobicContact CD1-CD1 3.71Å; I249-L335 HydrophobicContact CD1-CD2 3.93Å; I249-Y341 HydrophobicContact CD1-CD1 4.4Å; I249-Y341 HydrophobicContact CD1-CE1 3.69Å; I249-Y341 HydrophobicContact CG1-CE1 4.06Å; I249-F406 PolarHBondContact N-O 3.36Å; I249-Y407 HydrophobicContact CB-CD2 3.97Å; I249-Y407 HydrophobicContact CG2-CD2 3.64Å; I249-Y407 HydrophobicContact CG2-CE2 3.95Å; I249-Y407 CarbonylContact O-C 3.49Å; I249-Y407 WeakPolarHBondContact O-CA 3.5Å; I249-S408 PolarHBondContact O-N 3.48Å; I249-V469 HydrophobicContact CG1-CB 4.34Å; I249-M471 HydrophobicContact CG2-CE 3.89Å; I249-I533 HydrophobicContact CD1-CG2 3.67Å; I249-I533 HydrophobicContact CG1-CG2 4.45Å; I249-I533 HydrophobicContact CG2-CG2 4.31Å
250I98.9Very high98.4Very high0 Ų026.2 Ų26.20%012%0.124CC..EExtended strand (participates in β ladder)trans-113.3115.6179.8-58.4174.4000107.7I252 F406 S408 L410 Y455 L459 V469 I470 M471I250-I252 HydrophobicContact CG2-CD1 4.41Å; I250-I252 HydrophobicContact CG2-CG1 4.07Å; I250-F406 HydrophobicContact CD1-CE2 4.27Å; I250-F406 HydrophobicContact CD1-CZ 4.35Å; I250-F406 HydrophobicContact CG1-CE2 3.85Å; I250-F406 HydrophobicContact CG1-CZ 4.41Å; I250-S408 CarbonylContact C-O 3.5Å; I250-S408 WeakPolarHBondContact CA-O 3.45Å; I250-L410 HydrophobicContact CG2-CD1 3.91Å; I250-Y455 HydrophobicContact CG2-CE1 4.46Å; I250-L459 HydrophobicContact CD1-CD1 3.96Å; I250-L459 HydrophobicContact CD1-CD2 4.18Å; I250-V469 PolarHBondContact N-O 3.1Å; I250-I470 HydrophobicContact CB-CG1 4.46Å; I250-I470 WeakPolarHBondContact O-CA 3.41Å; I250-M471 PolarHBondContact O-N 3.09Å
251K98.9Very high98.5Very high0 Ų024.4 Ų24.40%012%0.118CC..EExtended strand (participates in β ladder)trans-101.7117176.9-175179.7173.8-170.90109.1D308 Y407 S408 H409 L410 M471 Y473K251-D308 IonicContact NZ-OD1 2.85Å; K251-D308 PolarHBondContact NZ-OD1 2.83Å; K251-D308 IonicContact NZ-OD2 2.62Å; K251-Y407 WeakPolarHBondContact CD-OH 3.24Å; K251-S408 PolarHBondContact N-O 3.42Å; K251-H409 HydrophobicContact CB-CB 4.2Å; K251-H409 HydrophobicContact CD-CB 4.32Å; K251-H409 VanDerWaalsContact CD-CD2 3.43Å; K251-H409 WeakPolarHBondContact CD-CD2 3.25Å; K251-H409 WeakPolarHBondContact CE-NE2 3.38Å; K251-H409 CarbonylContact O-C 3.59Å; K251-H409 WeakPolarHBondContact O-CA 3.45Å; K251-L410 PolarHBondContact O-N 2.9Å; K251-M471 HydrophobicContact CB-CE 3.44Å; K251-M471 VanDerWaalsContact CB-CE 3.44Å; K251-M471 HydrophobicContact CB-CG 4.03Å; K251-M471 HydrophobicContact CD-CE 3.77Å; K251-M471 HydrophobicContact CG-CE 3.59Å; K251-M471 HydrophobicContact CG-CG 4.12Å; K251-M471 HydrophobicContact CG-SD 4.42Å; K251-Y473 HydrophobicContact CD-CE1 4.19Å; K251-Y473 VanDerWaalsContact CE-CE1 3.43Å; K251-Y473 WeakPolarHBondContact CE-OH 3.31Å; K251-Y473 HydrophobicContact CG-CD1 4.46Å; K251-Y473 HydrophobicContact CG-CE1 3.73Å
252I98.9Very high98.5Very high0 Ų021.2 Ų21.20%011%0.106CC..EExtended strand (participates in β ladder)trans-111.7112177.9-55.1157.4000108.1I250 L254 F392 L452 Y455 I456 I470 M471 I472 Y473I250-I252 HydrophobicContact CG2-CD1 4.41Å; I250-I252 HydrophobicContact CG2-CG1 4.07Å; I252-L254 HydrophobicContact CG2-CD2 4.06Å; I252-F392 HydrophobicContact CG2-CE1 4.04Å; I252-F392 HydrophobicContact CG2-CZ 3.84Å; I252-L452 HydrophobicContact CD1-CD1 4.09Å; I252-L452 HydrophobicContact CG2-CD1 3.84Å; I252-Y455 HydrophobicContact CD1-CD1 3.89Å; I252-Y455 HydrophobicContact CD1-CE1 3.68Å; I252-Y455 HydrophobicContact CG1-CD1 4.35Å; I252-Y455 HydrophobicContact CG1-CE1 3.86Å; I252-I456 HydrophobicContact CD1-CD1 4Å; I252-I470 HydrophobicContact CD1-CG2 3.69Å; I252-M471 PolarHBondContact N-O 3.29Å; I252-I472 HydrophobicContact CB-CG1 4.3Å; I252-I472 HydrophobicContact CD1-CD1 4.36Å; I252-I472 HydrophobicContact CD1-CG1 3.89Å; I252-I472 WeakPolarHBondContact O-CA 3.39Å; I252-Y473 WeakPolarHBondContact O-CD1 3.13Å; I252-Y473 PolarHBondContact O-N 2.86Å; I252-Y473 VanDerWaalsContact O-N 3.11Å
253H98.8Very high98.5Very high0 Ų025.2 Ų25.20%012%0.122CC..EExtended strand (participates in β ladder)trans-94.4120.1179.3175.7142.5000109.1T300 H409 L410 I411 T412 Y473 D475H253-T300 VanDerWaalsContact CE1-CG2 3.43Å; H253-T300 WeakPolarHBondContact CE1-CG2 3.29Å; H253-H409 AromaticContact ND1-NE2 3.92Å; H253-L410 WeakPolarHBondContact CB-O 3.5Å; H253-L410 PolarHBondContact N-O 2.99Å; H253-I411 HydrophobicContact CB-CB 4.47Å; H253-I411 HydrophobicContact CB-CG1 4.25Å; H253-I411 HydrophobicContact CB-CG2 4.48Å; H253-T412 PolarHBondContact O-N 2.92Å; H253-T412 PolarHBondContact O-OG1 2.77Å; H253-Y473 HydrophobicContact CB-CE1 3.8Å; H253-Y473 HydrophobicContact CB-CE2 4.47Å; H253-Y473 AromaticContact CG-CZ 3.73Å; H253-Y473 AromaticContact ND1-CZ 3.57Å; H253-Y473 PolarHBondContact ND1-OH 2.86Å; H253-D475 IonicContact CD2-OD2 3.81Å; H253-D475 WeakPolarHBondContact CE1-CB 3.17Å; H253-D475 IonicContact CE1-OD2 2.82Å; H253-D475 PolarHBondContact CE1-OD2 3.42Å; H253-D475 WeakPolarHBondContact NE2-CB 3.29Å; H253-D475 IonicContact NE2-OD1 2.86Å; H253-D475 IonicContact NE2-OD2 3.79Å; H253-D475 PolarHBondContact NE2-OD2 3.12Å
254L98.9Very high98.5Very high0 Ų025 Ų250%012%0.118CC..EExtended strand (participates in β ladder)trans-97.5103.3178.7-57.4-173.6000109.6I252 S256 F257 L275 T412 L448 L452 I472 Y473 G474 D475I252-L254 HydrophobicContact CG2-CD2 4.06Å; L254-S256 PolarHBondContact O-N 3.4Å; L254-F257 HydrophobicContact CB-CB 3.65Å; L254-F257 HydrophobicContact CB-CG 4.23Å; L254-F257 HydrophobicContact CD1-CB 4.45Å; L254-F257 HydrophobicContact CD1-CD1 4.28Å; L254-F257 HydrophobicContact CD1-CG 4.14Å; L254-F257 PolarHBondContact O-N 3.34Å; L254-L275 HydrophobicContact CD1-CD1 4.06Å; L254-L275 HydrophobicContact CD1-CD2 4.4Å; L254-T412 WeakPolarHBondContact CA-OG1 3.28Å; L254-L448 HydrophobicContact CB-CD2 4.07Å; L254-L448 HydrophobicContact CD2-CD1 4.04Å; L254-L448 HydrophobicContact CD2-CD2 4.38Å; L254-L448 HydrophobicContact CD2-CG 4.3Å; L254-L452 HydrophobicContact CD1-CD2 4.38Å; L254-L452 HydrophobicContact CD2-CD1 4.46Å; L254-L452 HydrophobicContact CD2-CD2 4.22Å; L254-I472 HydrophobicContact CD1-CG2 3.56Å; L254-I472 HydrophobicContact CD2-CG2 4.13Å; L254-I472 HydrophobicContact CG-CG2 3.79Å; L254-Y473 VanDerWaalsContact CB-O 3.26Å; L254-Y473 WeakPolarHBondContact CB-O 3.11Å; L254-Y473 WeakPolarHBondContact CG-O 3.27Å; L254-Y473 PolarHBondContact N-O 3.01Å; L254-G474 WeakPolarHBondContact O-CA 3.42Å; L254-D475 PolarHBondContact O-N 2.93Å
255E98.4Very high98.5Very high1 Ų130.4 Ų30.41%0.00514%0.14CC..THydrogen-bonded Turntrans-57.5126.5-177.7174.353.3-134.500111.4F257 T300 T412 N415 H416 H476E255-F257 PolarHBondContact O-N 3.44Å; E255-T300 PolarHBondContact OE2-OG1 2.77Å; E255-T412 WeakPolarHBondContact CB-O 3.16Å; E255-T412 PolarHBondContact N-OG1 2.82Å; E255-N415 WeakPolarHBondContact O-CB 3.39Å; E255-N415 PolarHBondContact O-ND2 3.34Å; E255-H416 HydrophobicContact CG-CB 3.93Å; E255-H416 IonicContact OE1-CD2 2.88Å; E255-H416 PolarHBondContact OE1-CD2 3.48Å; E255-H476 IonicContact OE1-CE1 2.64Å; E255-H476 IonicContact OE1-NE2 2.76Å; E255-H476 PolarHBondContact OE1-NE2 3.12Å
256S97.7Very high98.5Very high4 Ų425 Ų253%0.02812%0.117CC..THydrogen-bonded Turntrans51.730.2176-69.90000114L254 N415 Y441 D475 H476L254-S256 PolarHBondContact O-N 3.4Å; S256-N415 WeakPolarHBondContact CB-O 3.34Å; S256-Y441 VanDerWaalsContact O-CE2 3.29Å; S256-Y441 WeakPolarHBondContact O-CE2 3.35Å; S256-Y441 PolarHBondContact O-OH 3.2Å; S256-D475 PolarHBondContact N-OD1 2.73Å; S256-H476 CarbonylContact C-O 3.49Å; S256-H476 PolarHBondContact OG-CE1 3.07Å
257F98.8Very high98.3Very high1 Ų124.6 Ų24.60%0.00412%0.121CC..  trans-87.2131-176.1-174.6-89.4000113.3L254 E255 L261 I262 T272 L275 L448 T506 W509L254-F257 HydrophobicContact CB-CB 3.65Å; L254-F257 HydrophobicContact CB-CG 4.23Å; L254-F257 HydrophobicContact CD1-CB 4.45Å; L254-F257 HydrophobicContact CD1-CD1 4.28Å; L254-F257 HydrophobicContact CD1-CG 4.14Å; L254-F257 PolarHBondContact O-N 3.34Å; E255-F257 PolarHBondContact O-N 3.44Å; F257-L261 HydrophobicContact CD2-CD1 4.08Å; F257-L261 HydrophobicContact CE2-CB 4.37Å; F257-L261 HydrophobicContact CE2-CD1 3.79Å; F257-L261 HydrophobicContact CZ-CB 4.3Å; F257-L261 HydrophobicContact CZ-CD1 4.38Å; F257-I262 HydrophobicContact CE1-CD1 4.28Å; F257-I262 HydrophobicContact CZ-CD1 3.91Å; F257-I262 HydrophobicContact CZ-CG1 4.49Å; F257-T272 HydrophobicContact CE2-CG2 3.8Å; F257-T272 HydrophobicContact CZ-CG2 4.17Å; F257-L275 HydrophobicContact CD2-CD1 4.32Å; F257-L275 HydrophobicContact CE1-CD1 4.08Å; F257-L275 HydrophobicContact CE2-CD1 3.54Å; F257-L275 HydrophobicContact CZ-CD1 3.42Å; F257-L275 VanDerWaalsContact CZ-CD1 3.42Å; F257-L448 HydrophobicContact CB-CD2 4.46Å; F257-L448 HydrophobicContact CD2-CD2 4.22Å; F257-T506 WeakPolarHBondContact O-CB 3.45Å; F257-T506 WeakPolarHBondContact O-CG2 3.28Å; F257-W509 HydrophobicContact CD1-CH2 4.43Å; F257-W509 AromaticContact CE1-CH2 3.82Å; F257-W509 HydrophobicContact CE1-CH2 3.82Å; F257-W509 HydrophobicContact CE1-CZ3 4.47Å
258Q98.5Very high98.2Very high2 Ų224.8 Ų24.81%0.00914%0.14CC..  trans-122.3142.7177.5-65175.1-9600111.9F260 L261 Y441 L503 R505Q258-F260 HydrophobicContact CB-CD1 3.51Å; Q258-F260 HydrophobicContact CB-CE1 3.65Å; Q258-F260 HydrophobicContact CG-CD1 4.47Å; Q258-F260 HydrophobicContact CG-CE1 4.33Å; Q258-F260 PolarHBondContact O-N 3.09Å; Q258-L261 WeakPolarHBondContact O-CB 3.44Å; Q258-L261 WeakPolarHBondContact O-CG 3.38Å; Q258-L261 PolarHBondContact O-N 3.11Å; Q258-Y441 PolarHBondContact N-OH 3.34Å; Q258-Y441 VanDerWaalsContact N-OH 3.16Å; Q258-L503 PolarHBondContact NE2-O 3.19Å; Q258-R505 WeakPolarHBondContact CA-O 3.36Å
259T98.4Very high98.2Very high17 Ų1730.1 Ų30.110%0.10416%0.163CC..G310 helixtrans-74.5-8.9-173.461.80000114.8L261 I262 R505 W509T259-L261 PolarHBondContact O-N 3.44Å; T259-I262 VanDerWaalsContact O-CB 3.29Å; T259-I262 WeakPolarHBondContact O-CB 3.29Å; T259-I262 WeakPolarHBondContact O-CG1 3.25Å; T259-I262 PolarHBondContact O-N 2.9Å; T259-R505 HydrophobicContact CG2-CB 4.32Å; T259-R505 PolarHBondContact N-O 3.12Å; T259-R505 WeakPolarHBondContact OG1-CB 3.49Å; T259-R505 PolarHBondContact OG1-O 3.12Å; T259-W509 HydrophobicContact CG2-CH2 4.28Å
260F98.1Very high98.1Very high31 Ų3132.9 Ų32.914%0.13618%0.176CC..G310 helixtrans-60.8-17.4172.480.3-100.3000112.2Q258 Y441 M487 L490 L491 L503Q258-F260 HydrophobicContact CB-CD1 3.51Å; Q258-F260 HydrophobicContact CB-CE1 3.65Å; Q258-F260 HydrophobicContact CG-CD1 4.47Å; Q258-F260 HydrophobicContact CG-CE1 4.33Å; Q258-F260 PolarHBondContact O-N 3.09Å; F260-Y441 AromaticContact CE1-CE1 3.84Å; F260-Y441 HydrophobicContact CE1-CE1 3.84Å; F260-Y441 AromaticContact CZ-CD1 3.9Å; F260-Y441 HydrophobicContact CZ-CD1 3.9Å; F260-Y441 AromaticContact CZ-CE1 3.49Å; F260-Y441 HydrophobicContact CZ-CE1 3.49Å; F260-Y441 VanDerWaalsContact CZ-CE1 3.49Å; F260-M487 HydrophobicContact CD1-CE 4.22Å; F260-M487 HydrophobicContact CD2-CE 4.18Å; F260-M487 HydrophobicContact CE1-CE 3.8Å; F260-M487 HydrophobicContact CE2-CE 3.76Å; F260-M487 HydrophobicContact CG-CE 4.4Å; F260-M487 HydrophobicContact CZ-CE 3.55Å; F260-M487 HydrophobicContact CZ-SD 4.22Å; F260-L490 HydrophobicContact CE2-CD2 3.94Å; F260-L491 HydrophobicContact CD2-CD2 3.92Å; F260-L503 HydrophobicContact CB-CD2 3.87Å; F260-L503 HydrophobicContact CD1-CD2 4.22Å; F260-L503 HydrophobicContact CG-CD2 4.22Å
261L98.7Very high98.1Very high0 Ų032.9 Ų32.90%018%0.176CC..G310 helixtrans-75.2-24.1173.7-61.3172.8000113.1F257 Q258 T259 N263 K264 V271 T272 Y441 I442 A445F257-L261 HydrophobicContact CD2-CD1 4.08Å; F257-L261 HydrophobicContact CE2-CB 4.37Å; F257-L261 HydrophobicContact CE2-CD1 3.79Å; F257-L261 HydrophobicContact CZ-CB 4.3Å; F257-L261 HydrophobicContact CZ-CD1 4.38Å; Q258-L261 WeakPolarHBondContact O-CB 3.44Å; Q258-L261 WeakPolarHBondContact O-CG 3.38Å; Q258-L261 PolarHBondContact O-N 3.11Å; T259-L261 PolarHBondContact O-N 3.44Å; L261-N263 PolarHBondContact O-N 3.26Å; L261-K264 VanDerWaalsContact O-CB 3.23Å; L261-K264 WeakPolarHBondContact O-CB 3.48Å; L261-K264 PolarHBondContact O-N 2.9Å; L261-V271 HydrophobicContact CD2-CG1 4.07Å; L261-T272 HydrophobicContact CB-CG2 3.97Å; L261-T272 PolarHBondContact O-OG1 2.93Å; L261-Y441 HydrophobicContact CD1-CE1 3.64Å; L261-Y441 HydrophobicContact CD2-CD1 4.31Å; L261-Y441 HydrophobicContact CD2-CE1 4Å; L261-Y441 HydrophobicContact CG-CE1 4.07Å; L261-I442 HydrophobicContact CD2-CD1 4.12Å; L261-A445 HydrophobicContact CD1-CB 3.52Å
262I98.7Very high98.1Very high22 Ų2232.9 Ų32.911%0.11318%0.176CC..THydrogen-bonded Turntrans-63.1125.2178.1-57.6-61.1000109.3F257 T259 K264 L275 N276 W509F257-I262 HydrophobicContact CE1-CD1 4.28Å; F257-I262 HydrophobicContact CZ-CD1 3.91Å; F257-I262 HydrophobicContact CZ-CG1 4.49Å; T259-I262 VanDerWaalsContact O-CB 3.29Å; T259-I262 WeakPolarHBondContact O-CB 3.29Å; T259-I262 WeakPolarHBondContact O-CG1 3.25Å; T259-I262 PolarHBondContact O-N 2.9Å; I262-K264 PolarHBondContact O-N 3.41Å; I262-K264 VanDerWaalsContact O-N 3.09Å; I262-L275 HydrophobicContact CD1-CB 3.59Å; I262-N276 WeakPolarHBondContact CA-OD1 3.33Å; I262-W509 HydrophobicContact CD1-CH2 4.32Å; I262-W509 HydrophobicContact CD1-CZ2 3.8Å; I262-W509 HydrophobicContact CG1-CZ2 4.22Å
263N98.3Very high98.1Very high106 Ų10634.7 Ų34.757%0.56719%0.187SC*.THydrogen-bonded Turntrans58.97.6-172.5-57.1-48.9000114.7L261 K265 N276L261-N263 PolarHBondContact O-N 3.26Å; N263-K265 PolarHBondContact O-N 2.86Å; N263-N276 PolarHBondContact N-OD1 3.06Å
264K98.1Very high98.1Very high45 Ų4535.1 Ų35.120%0.19619%0.189CC..  trans-67.7135.7174.3-173.562.2175.1178.70109L261 I262 E270 V271 L490L261-K264 VanDerWaalsContact O-CB 3.23Å; L261-K264 WeakPolarHBondContact O-CB 3.48Å; L261-K264 PolarHBondContact O-N 2.9Å; I262-K264 PolarHBondContact O-N 3.41Å; I262-K264 VanDerWaalsContact O-N 3.09Å; K264-E270 CarbonylContact O-C 3.19Å; K264-E270 WeakPolarHBondContact O-CA 3.43Å; K264-V271 HydrophobicContact CB-CG2 4.09Å; K264-V271 HydrophobicContact CG-CG2 4.06Å; K264-V271 PolarHBondContact O-N 3.16Å; K264-L490 WeakPolarHBondContact CE-O 3.43Å; K264-L490 PolarHBondContact NZ-O 2.91Å
265K98.4Very high98.1Very high116 Ų11635.1 Ų35.150%0.50419%0.189SC..EExtended strand (participates in β ladder)trans-113.4137.4169.5-62.1-174.1-179.5-170.20110.3N263 K269 E270N263-K265 PolarHBondContact O-N 2.86Å; K265-K269 CarbonylContact C-O 3.6Å; K265-K269 WeakPolarHBondContact CA-O 3.26Å; K265-E270 HydrophobicContact CD-CG 4.29Å; K265-E270 HydrophobicContact CG-CG 3.93Å; K265-E270 IonicContact NZ-OE1 2.87Å
266V97.6Very high98.2Very high10 Ų1035.5 Ų35.56%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-122.6126.8169.2176.10000106.6G268 K269 V271 I428 I442 L490V266-G268 PolarHBondContact O-N 3.46Å; V266-G268 VanDerWaalsContact O-N 3.17Å; V266-K269 PolarHBondContact N-O 2.93Å; V266-K269 PolarHBondContact O-N 2.73Å; V266-V271 HydrophobicContact CG2-CG2 3.92Å; V266-I428 HydrophobicContact CB-CD1 4.47Å; V266-I442 HydrophobicContact CB-CG2 4.08Å; V266-I442 HydrophobicContact CG1-CG2 4.33Å; V266-I442 HydrophobicContact CG2-CD1 4.03Å; V266-I442 HydrophobicContact CG2-CG1 4.16Å; V266-I442 HydrophobicContact CG2-CG2 3.88Å; V266-L490 HydrophobicContact CG2-CD1 4.26Å
267N94Very high98.2Very high95 Ų9540.1 Ų40.151%0.50821%0.211SC..THydrogen-bonded Turntrans49.542.3-175.5-56.5-15.8000113K269 E429N267-K269 PolarHBondContact O-N 3.36Å; N267-E429 PolarHBondContact ND2-OE2 2.73Å
268G96.1Very high98.2Very high65 Ų6540.3 Ų40.367%0.6721%0.212SC*.THydrogen-bonded Turntrans76.4-7.7179.500000115.8V266V266-G268 PolarHBondContact O-N 3.46Å; V266-G268 VanDerWaalsContact O-N 3.17Å
269K98.5Very high98.2Very high113 Ų11340.6 Ų40.649%0.49121%0.214SC..EExtended strand (participates in β ladder)trans-99.2137.2178.3-65.9-178.3177.5179.80110.7K265 V266 N267 I428K265-K269 CarbonylContact C-O 3.6Å; K265-K269 WeakPolarHBondContact CA-O 3.26Å; V266-K269 PolarHBondContact N-O 2.93Å; V266-K269 PolarHBondContact O-N 2.73Å; N267-K269 PolarHBondContact O-N 3.36Å; K269-I428 HydrophobicContact CB-CD1 3.91Å; K269-I428 HydrophobicContact CB-CG1 4.15Å; K269-I428 HydrophobicContact CD-CG1 4.34Å
270E98.6Very high98.2Very high63 Ų6342 Ų4229%0.29423%0.225SC..EExtended strand (participates in β ladder)trans-62145.3173.7-68.2179.8-178.400110.5K264 K265 P273 N276 R446K264-E270 CarbonylContact O-C 3.19Å; K264-E270 WeakPolarHBondContact O-CA 3.43Å; K265-E270 HydrophobicContact CD-CG 4.29Å; K265-E270 HydrophobicContact CG-CG 3.93Å; K265-E270 IonicContact NZ-OE1 2.87Å; E270-P273 HydrophobicContact CB-CB 4.4Å; E270-N276 PolarHBondContact OE2-ND2 2.94Å; E270-R446 PolarHBondContact O-NE 2.88Å; E270-R446 PolarHBondContact O-NH2 3.49Å
271V98.8Very high98Very high0 Ų041.8 Ų41.80%023%0.231CC..SBendtrans-78.5-40.6175.5-173.20000110.3L261 K264 V266 I442 A445 R446L261-V271 HydrophobicContact CD2-CG1 4.07Å; K264-V271 HydrophobicContact CB-CG2 4.09Å; K264-V271 HydrophobicContact CG-CG2 4.06Å; K264-V271 PolarHBondContact O-N 3.16Å; V266-V271 HydrophobicContact CG2-CG2 3.92Å; V271-I442 HydrophobicContact CG1-CG2 4.12Å; V271-I442 WeakPolarHBondContact CG1-O 3.35Å; V271-I442 HydrophobicContact CG2-CD1 4.32Å; V271-I442 HydrophobicContact CG2-CG2 3.99Å; V271-A445 HydrophobicContact CG1-CB 4.18Å; V271-R446 WeakPolarHBondContact O-CA 3.34Å; V271-R446 WeakPolarHBondContact O-CB 3.33Å; V271-R446 VanDerWaalsContact O-CD 3.32Å; V271-R446 WeakPolarHBondContact O-CD 3.35Å; V271-R446 PolarHBondContact O-NE 3.46Å
272T98.8Very high97.9Very high0 Ų050.5 Ų50.50%027%0.269CS..  trans-131.562.6-171.658.30000112.8F257 L261 F274 L275 N276 D449F257-T272 HydrophobicContact CE2-CG2 3.8Å; F257-T272 HydrophobicContact CZ-CG2 4.17Å; L261-T272 HydrophobicContact CB-CG2 3.97Å; L261-T272 PolarHBondContact O-OG1 2.93Å; T272-F274 VanDerWaalsContact C-N 3.26Å; T272-F274 PolarHBondContact O-N 2.92Å; T272-L275 PolarHBondContact O-N 3.04Å; T272-N276 WeakPolarHBondContact O-CB 3.32Å; T272-N276 PolarHBondContact O-N 3.14Å; T272-N276 PolarHBondContact O-ND2 3.27Å; T272-N276 PolarHBondContact O-OD1 3.17Å; T272-N276 PolarHBondContact OG1-OD1 3.02Å; T272-N276 VanDerWaalsContact OG1-OD1 3.05Å; T272-D449 VanDerWaalsContact CA-CG 3.41Å; T272-D449 WeakPolarHBondContact CA-OD2 3.43Å; T272-D449 WeakPolarHBondContact CB-OD1 3.4Å; T272-D449 HydrophobicContact CG2-CB 4.24Å
273P98.8Very high97.7Very high37 Ų3752.1 Ų52.124%0.2428%0.276CS..Hα-helixtrans-58.2-33.3-173.826-37.6000114.3E270 N276 K277 R446 D449E270-P273 HydrophobicContact CB-CB 4.4Å; P273-N276 WeakPolarHBondContact O-CB 3.18Å; P273-N276 PolarHBondContact O-N 3.2Å; P273-K277 PolarHBondContact O-N 3.31Å; P273-K277 VanDerWaalsContact O-N 3.08Å; P273-R446 VanDerWaalsContact CD-NH2 3.28Å; P273-R446 VanDerWaalsContact CG-CZ 3.44Å; P273-D449 WeakPolarHBondContact CD-OD2 3.12Å; P273-D449 VanDerWaalsContact N-OD2 3.13Å
274F98.9Very high97.6Very high9 Ų951.2 Ų51.24%0.03927%0.268CS..Hα-helixtrans-71-48.1178.5177.9-108.3000111.3T272 N276 K277 L278 D449 L452 E453 I456T272-F274 VanDerWaalsContact C-N 3.26Å; T272-F274 PolarHBondContact O-N 2.92Å; F274-N276 VanDerWaalsContact C-N 3.27Å; F274-N276 PolarHBondContact O-N 3.16Å; F274-K277 VanDerWaalsContact O-CB 3.31Å; F274-K277 WeakPolarHBondContact O-CB 3.36Å; F274-K277 PolarHBondContact O-N 3.19Å; F274-K277 VanDerWaalsContact O-N 3.12Å; F274-L278 HydrophobicContact CD1-CD1 4.3Å; F274-L278 HydrophobicContact CD1-CG 4.45Å; F274-L278 HydrophobicContact CE1-CD1 3.54Å; F274-L278 HydrophobicContact CE1-CD2 4.45Å; F274-L278 HydrophobicContact CE1-CG 3.96Å; F274-L278 HydrophobicContact CE2-CD2 4.21Å; F274-L278 HydrophobicContact CE2-CG 4.38Å; F274-L278 HydrophobicContact CZ-CD1 3.78Å; F274-L278 HydrophobicContact CZ-CD2 3.91Å; F274-L278 HydrophobicContact CZ-CG 3.91Å; F274-L278 PolarHBondContact O-N 3.07Å; F274-D449 WeakPolarHBondContact CB-OD2 3.45Å; F274-D449 PolarHBondContact N-OD1 3.09Å; F274-D449 PolarHBondContact N-OD2 3.16Å; F274-L452 HydrophobicContact CD1-CB 4.45Å; F274-L452 HydrophobicContact CD1-CD2 3.97Å; F274-L452 HydrophobicContact CD1-CG 3.99Å; F274-L452 HydrophobicContact CE1-CD2 3.97Å; F274-L452 HydrophobicContact CE1-CG 3.79Å; F274-E453 HydrophobicContact CB-CB 3.83Å; F274-E453 HydrophobicContact CB-CG 4.33Å; F274-E453 HydrophobicContact CD1-CB 3.99Å; F274-E453 HydrophobicContact CD2-CB 3.69Å; F274-E453 HydrophobicContact CD2-CG 3.53Å; F274-E453 HydrophobicContact CE2-CB 4.27Å; F274-E453 HydrophobicContact CE2-CG 4.01Å; F274-E453 HydrophobicContact CG-CB 3.54Å; F274-E453 HydrophobicContact CG-CG 3.94Å; F274-I456 HydrophobicContact CE1-CB 4.46Å; F274-I456 HydrophobicContact CE1-CG1 3.95Å; F274-I456 HydrophobicContact CZ-CB 3.89Å; F274-I456 HydrophobicContact CZ-CG1 3.78Å; F274-I456 HydrophobicContact CZ-CG2 4.02Å
275L98.9Very high97.7Very high0 Ų049.1 Ų49.10%026%0.259CS..Hα-helixtrans-65.3-30174.1-71.6167000112.2L254 F257 I262 T272 K277 L278 S279 D449 L452 W509L254-L275 HydrophobicContact CD1-CD1 4.06Å; L254-L275 HydrophobicContact CD1-CD2 4.4Å; F257-L275 HydrophobicContact CD2-CD1 4.32Å; F257-L275 HydrophobicContact CE1-CD1 4.08Å; F257-L275 HydrophobicContact CE2-CD1 3.54Å; F257-L275 HydrophobicContact CZ-CD1 3.42Å; F257-L275 VanDerWaalsContact CZ-CD1 3.42Å; I262-L275 HydrophobicContact CD1-CB 3.59Å; T272-L275 PolarHBondContact O-N 3.04Å; L275-K277 VanDerWaalsContact C-N 3.32Å; L275-K277 PolarHBondContact O-N 2.87Å; L275-L278 HydrophobicContact CD2-CD1 4.42Å; L275-L278 PolarHBondContact O-N 3.3Å; L275-S279 WeakPolarHBondContact O-CB 3.36Å; L275-S279 PolarHBondContact O-N 2.98Å; L275-S279 PolarHBondContact O-OG 2.97Å; L275-D449 WeakPolarHBondContact CB-OD1 3.37Å; L275-D449 VanDerWaalsContact CG-OD1 3.27Å; L275-D449 WeakPolarHBondContact CG-OD1 3.44Å; L275-D449 PolarHBondContact N-OD1 2.84Å; L275-L452 HydrophobicContact CD1-CD2 4.41Å; L275-L452 HydrophobicContact CD2-CD2 3.66Å; L275-L452 HydrophobicContact CG-CD2 4.01Å; L275-W509 HydrophobicContact CD2-CD2 4.32Å; L275-W509 HydrophobicContact CD2-CE3 4.43Å; L275-W509 HydrophobicContact CD2-CH2 4.43Å; L275-W509 HydrophobicContact CD2-CZ2 4.26Å; L275-W509 HydrophobicContact CD2-CZ3 4.5Å
276N98.8Very high97.7Very high9 Ų944.2 Ų44.25%0.04824%0.239CC..Hα-helixtrans-60.2-45.3171.4-64.9-10.4000110.5I262 N263 E270 T272 P273 F274 S279 S280I262-N276 WeakPolarHBondContact CA-OD1 3.33Å; N263-N276 PolarHBondContact N-OD1 3.06Å; E270-N276 PolarHBondContact OE2-ND2 2.94Å; T272-N276 WeakPolarHBondContact O-CB 3.32Å; T272-N276 PolarHBondContact O-N 3.14Å; T272-N276 PolarHBondContact O-ND2 3.27Å; T272-N276 PolarHBondContact O-OD1 3.17Å; T272-N276 PolarHBondContact OG1-OD1 3.02Å; T272-N276 VanDerWaalsContact OG1-OD1 3.05Å; P273-N276 WeakPolarHBondContact O-CB 3.18Å; P273-N276 PolarHBondContact O-N 3.2Å; F274-N276 VanDerWaalsContact C-N 3.27Å; F274-N276 PolarHBondContact O-N 3.16Å; N276-S279 PolarHBondContact O-N 3.49Å; N276-S280 PolarHBondContact O-N 3.36Å; N276-S280 VanDerWaalsContact O-N 3.13Å
277K98.7Very high97.7Very high102 Ų10244.5 Ų44.544%0.44324%0.239SC..Hα-helixtrans-59.7-49.9174.9-178.3178.9175.1177.80111P273 F274 L275 S279 S280 E283P273-K277 PolarHBondContact O-N 3.31Å; P273-K277 VanDerWaalsContact O-N 3.08Å; F274-K277 VanDerWaalsContact O-CB 3.31Å; F274-K277 WeakPolarHBondContact O-CB 3.36Å; F274-K277 PolarHBondContact O-N 3.19Å; F274-K277 VanDerWaalsContact O-N 3.12Å; L275-K277 VanDerWaalsContact C-N 3.32Å; L275-K277 PolarHBondContact O-N 2.87Å; K277-S279 VanDerWaalsContact C-N 3.26Å; K277-S279 PolarHBondContact O-N 2.62Å; K277-S280 WeakPolarHBondContact O-CB 3.48Å; K277-S280 PolarHBondContact O-N 2.98Å; K277-S280 PolarHBondContact O-OG 3.16Å; K277-E283 VanDerWaalsContact CE-CD 3.42Å; K277-E283 WeakPolarHBondContact CE-OE1 3.42Å; K277-E283 HydrophobicContact CG-CG 3.86Å; K277-E283 WeakPolarHBondContact CG-OE1 3.33Å; K277-E283 VanDerWaalsContact O-CG 3.28Å; K277-E283 WeakPolarHBondContact O-CG 3.28Å
278L98.5Very high98Very high5 Ų540 Ų403%0.02622%0.215CC..Hα-helixtrans-62-32.9177.2-62.3-165.1000113.1F274 L275 S280 E283 F285 I472F274-L278 HydrophobicContact CD1-CD1 4.3Å; F274-L278 HydrophobicContact CD1-CG 4.45Å; F274-L278 HydrophobicContact CE1-CD1 3.54Å; F274-L278 HydrophobicContact CE1-CD2 4.45Å; F274-L278 HydrophobicContact CE1-CG 3.96Å; F274-L278 HydrophobicContact CE2-CD2 4.21Å; F274-L278 HydrophobicContact CE2-CG 4.38Å; F274-L278 HydrophobicContact CZ-CD1 3.78Å; F274-L278 HydrophobicContact CZ-CD2 3.91Å; F274-L278 HydrophobicContact CZ-CG 3.91Å; F274-L278 PolarHBondContact O-N 3.07Å; L275-L278 HydrophobicContact CD2-CD1 4.42Å; L275-L278 PolarHBondContact O-N 3.3Å; L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 2.63Å; L278-E283 HydrophobicContact CD2-CB 4.31Å; L278-E283 HydrophobicContact CD2-CG 4.24Å; L278-F285 HydrophobicContact CD1-CD2 4.32Å; L278-F285 HydrophobicContact CD1-CE2 4.31Å; L278-F285 HydrophobicContact CD1-CZ 4.48Å; L278-F285 HydrophobicContact CD2-CD2 3.75Å; L278-F285 HydrophobicContact CD2-CE2 4.01Å; L278-F285 HydrophobicContact CD2-CG 4.47Å; L278-I472 HydrophobicContact CD1-CD1 3.7Å
279S98.6Very high98.1Very high7 Ų737.9 Ų37.95%0.04919%0.189CC..Hα-helixtrans-80-10.1-179.1-57.20000113.9L275 N276 K277 G281 W509L275-S279 WeakPolarHBondContact O-CB 3.36Å; L275-S279 PolarHBondContact O-N 2.98Å; L275-S279 PolarHBondContact O-OG 2.97Å; N276-S279 PolarHBondContact O-N 3.49Å; K277-S279 VanDerWaalsContact C-N 3.26Å; K277-S279 PolarHBondContact O-N 2.62Å; S279-G281 PolarHBondContact O-N 2.85Å; S279-W509 PolarHBondContact OG-NE1 3.19Å
280S97.8Very high98.1Very high48 Ų4833.5 Ų33.534%0.33617%0.171SC..THydrogen-bonded Turntrans-70.2-12.4-174.270.10000114.5N276 K277 L278 K282N276-S280 PolarHBondContact O-N 3.36Å; N276-S280 VanDerWaalsContact O-N 3.13Å; K277-S280 WeakPolarHBondContact O-CB 3.48Å; K277-S280 PolarHBondContact O-N 2.98Å; K277-S280 PolarHBondContact O-OG 3.16Å; L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 2.63Å; S280-K282 PolarHBondContact O-N 3.45Å; S280-K282 WeakPolarHBondContact OG-CB 3.44Å; S280-K282 PolarHBondContact OG-N 3Å
281G94.7Very high98.1Very high25 Ų2530.5 Ų30.526%0.25816%0.157SC..SBendtrans71.34.5-171.100000114.2S279S279-G281 PolarHBondContact O-N 2.85Å
282K95.8Very high98.1Very high184 Ų18430.5 Ų30.580%0.816%0.157SC*.SBendtrans-97.1-7.7179.3-57.8178.8-178.4177.50113.2S280S280-K282 PolarHBondContact O-N 3.45Å; S280-K282 WeakPolarHBondContact OG-CB 3.44Å; S280-K282 PolarHBondContact OG-N 3Å
283E95.2Very high98.1Very high56 Ų5630.9 Ų30.926%0.26216%0.159SC..SBendtrans-97.5178.3178.6-62.1-62.5146.700111.1K277 L278 F285 G517K277-E283 VanDerWaalsContact CE-CD 3.42Å; K277-E283 WeakPolarHBondContact CE-OE1 3.42Å; K277-E283 HydrophobicContact CG-CG 3.86Å; K277-E283 WeakPolarHBondContact CG-OE1 3.33Å; K277-E283 VanDerWaalsContact O-CG 3.28Å; K277-E283 WeakPolarHBondContact O-CG 3.28Å; L278-E283 HydrophobicContact CD2-CB 4.31Å; L278-E283 HydrophobicContact CD2-CG 4.24Å; E283-F285 PolarHBondContact O-N 2.95Å; E283-G517 WeakPolarHBondContact O-CA 3.15Å
284Q97.1Very high98.1Very high87 Ų8729.2 Ų29.241%0.40715%0.148SC..SBendtrans-751.6178.3-64.5177.2-60.100114.4Y465 K511Q284-Y465 PolarHBondContact OE1-OH 2.77Å; Q284-K511 HydrophobicContact CB-CD 4.32Å; Q284-K511 HydrophobicContact CB-CG 4.29Å
285F98.7Very high98Very high0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-95.9135.3179.3-74.1-100.4000110.2L278 E283 Y465 I470 I472 W509 I510 K511 G517 G518L278-F285 HydrophobicContact CD1-CD2 4.32Å; L278-F285 HydrophobicContact CD1-CE2 4.31Å; L278-F285 HydrophobicContact CD1-CZ 4.48Å; L278-F285 HydrophobicContact CD2-CD2 3.75Å; L278-F285 HydrophobicContact CD2-CE2 4.01Å; L278-F285 HydrophobicContact CD2-CG 4.47Å; E283-F285 PolarHBondContact O-N 2.95Å; F285-Y465 HydrophobicContact CE2-CE2 4.22Å; F285-Y465 HydrophobicContact CZ-CE2 4.46Å; F285-I470 HydrophobicContact CE1-CB 4.07Å; F285-I470 HydrophobicContact CE1-CG2 4.03Å; F285-I470 WeakPolarHBondContact CE1-O 3.31Å; F285-I470 HydrophobicContact CZ-CB 4.12Å; F285-I470 HydrophobicContact CZ-CG2 4.06Å; F285-I472 HydrophobicContact CD1-CD1 4.45Å; F285-I472 HydrophobicContact CE1-CD1 3.74Å; F285-I472 HydrophobicContact CE1-CG1 4.18Å; F285-I472 HydrophobicContact CZ-CD1 4.08Å; F285-W509 HydrophobicContact CB-CB 4.3Å; F285-W509 HydrophobicContact CD1-CB 3.78Å; F285-W509 HydrophobicContact CG-CB 4.39Å; F285-I510 WeakPolarHBondContact CA-O 3.23Å; F285-K511 HydrophobicContact CD1-CB 3.73Å; F285-K511 HydrophobicContact CD2-CB 4.07Å; F285-K511 HydrophobicContact CE1-CB 3.59Å; F285-K511 HydrophobicContact CE2-CB 3.94Å; F285-K511 HydrophobicContact CE2-CD 4.29Å; F285-K511 HydrophobicContact CG-CB 3.98Å; F285-K511 HydrophobicContact CZ-CB 3.71Å; F285-K511 HydrophobicContact CZ-CD 4.41Å; F285-G517 VanDerWaalsContact C-CA 3.47Å; F285-G517 VanDerWaalsContact O-CA 3.28Å; F285-G517 WeakPolarHBondContact O-CA 3.17Å; F285-G518 PolarHBondContact O-N 2.88Å; F285-G518 VanDerWaalsContact O-N 3.1Å
286T98.7Very high97.7Very high13 Ų1330.4 Ų30.48%0.0816%0.16CC..EExtended strand (participates in β ladder)trans-83.5118.6161.9-58.20000108.1F288 W509 I510 G518 N520 F552T286-F288 HydrophobicContact CG2-CD2 4.19Å; T286-F288 HydrophobicContact CG2-CE2 3.6Å; T286-F288 HydrophobicContact CG2-CZ 4.11Å; T286-W509 WeakPolarHBondContact O-CA 3.47Å; T286-I510 PolarHBondContact N-O 3.39Å; T286-I510 PolarHBondContact O-N 3Å; T286-G518 CarbonylContact C-O 3.6Å; T286-G518 WeakPolarHBondContact CA-O 3.45Å; T286-N520 HydrophobicContact CG2-CB 4.03Å; T286-F552 HydrophobicContact CG2-CE1 4.49Å
287Y98.8Very high97.3Very high17 Ų1730.2 Ų30.27%0.06716%0.159CC..EExtended strand (participates in β ladder)trans-96.7128.5177.9172.8-135.2000111.1P289 W509 G518 I519 N520Y287-P289 HydrophobicContact CD1-CB 4.42Å; Y287-P289 HydrophobicContact CE1-CB 3.69Å; Y287-P289 HydrophobicContact CE1-CG 4.24Å; Y287-P289 HydrophobicContact CE2-CB 4.47Å; Y287-P289 VanDerWaalsContact CZ-CA 3.49Å; Y287-P289 WeakPolarHBondContact O-CD 3.49Å; Y287-W509 AromaticContact CD2-CD1 3.6Å; Y287-W509 AromaticContact CD2-CD2 3.92Å; Y287-W509 HydrophobicContact CD2-CD2 3.92Å; Y287-W509 AromaticContact CD2-CE2 3.33Å; Y287-W509 HydrophobicContact CD2-CG 4.06Å; Y287-W509 AromaticContact CD2-CZ2 3.74Å; Y287-W509 HydrophobicContact CD2-CZ2 3.74Å; Y287-W509 AromaticContact CD2-NE1 3.13Å; Y287-W509 HydrophobicContact CE2-CD2 4.29Å; Y287-W509 AromaticContact CE2-CE2 3.47Å; Y287-W509 VanDerWaalsContact CE2-CE2 3.47Å; Y287-W509 HydrophobicContact CE2-CH2 4.02Å; Y287-W509 AromaticContact CE2-CZ2 3.31Å; Y287-W509 HydrophobicContact CE2-CZ2 3.31Å; Y287-W509 AromaticContact CE2-NE1 3.67Å; Y287-W509 AromaticContact CG-CD1 3.92Å; Y287-W509 AromaticContact CG-NE1 3.58Å; Y287-G518 PolarHBondContact N-O 3.45Å; Y287-I519 CarbonylContact O-C 3.52Å; Y287-I519 WeakPolarHBondContact O-CA 3.43Å; Y287-N520 PolarHBondContact O-N 3.34Å
288F98.8Very high97Very high0 Ų025.3 Ų25.30%014%0.138CC..EExtended strand (participates in β ladder)trans-105.992.2173.7-66.4-105.8000109.5T286 N290 F291 F508 I510 N520 L551 F552T286-F288 HydrophobicContact CG2-CD2 4.19Å; T286-F288 HydrophobicContact CG2-CE2 3.6Å; T286-F288 HydrophobicContact CG2-CZ 4.11Å; F288-N290 VanDerWaalsContact C-N 3.26Å; F288-N290 PolarHBondContact O-N 2.92Å; F288-F291 HydrophobicContact CB-CB 4.19Å; F288-F291 WeakPolarHBondContact O-CB 3.37Å; F288-F291 PolarHBondContact O-N 3.29Å; F288-F508 HydrophobicContact CB-CB 4.2Å; F288-F508 AromaticContact CD2-CD1 3.65Å; F288-F508 HydrophobicContact CD2-CD1 3.65Å; F288-F508 HydrophobicContact CD2-CE1 4.41Å; F288-F508 HydrophobicContact CE2-CD1 4.05Å; F288-F508 HydrophobicContact CE2-CE1 4.37Å; F288-F508 HydrophobicContact CG-CD1 4.26Å; F288-F508 PolarHBondContact N-O 3.49Å; F288-F508 PolarHBondContact O-N 3.26Å; F288-I510 HydrophobicContact CE2-CG2 3.93Å; F288-N520 WeakPolarHBondContact CA-O 3.48Å; F288-N520 HydrophobicContact CD1-CB 3.8Å; F288-N520 HydrophobicContact CE1-CB 3.62Å; F288-N520 WeakPolarHBondContact CE1-ND2 3.41Å; F288-N520 HydrophobicContact CE2-CB 4.41Å; F288-N520 HydrophobicContact CG-CB 4.3Å; F288-N520 HydrophobicContact CZ-CB 3.95Å; F288-L551 HydrophobicContact CE1-CB 3.98Å; F288-L551 HydrophobicContact CE1-CD1 4.25Å; F288-L551 HydrophobicContact CE1-CD2 4.46Å; F288-L551 HydrophobicContact CE1-CG 4.47Å; F288-L551 HydrophobicContact CZ-CB 4.06Å; F288-L551 HydrophobicContact CZ-CD1 4.25Å; F288-F552 HydrophobicContact CE2-CE1 4.43Å; F288-F552 HydrophobicContact CE2-CZ 4.25Å; F288-F552 AromaticContact CZ-CE1 3.89Å; F288-F552 HydrophobicContact CZ-CE1 3.89Å; F288-F552 AromaticContact CZ-CZ 3.98Å; F288-F552 HydrophobicContact CZ-CZ 3.98Å
289P98.3Very high96.8Very high21 Ų2125.6 Ų25.614%0.13614%0.138CC..THydrogen-bonded Turntrans-64.1-28.8178.522.4-34.5000113.6Y287 F291 R505 I519 N520 N521Y287-P289 HydrophobicContact CD1-CB 4.42Å; Y287-P289 HydrophobicContact CE1-CB 3.69Å; Y287-P289 HydrophobicContact CE1-CG 4.24Å; Y287-P289 HydrophobicContact CE2-CB 4.47Å; Y287-P289 VanDerWaalsContact CZ-CA 3.49Å; Y287-P289 WeakPolarHBondContact O-CD 3.49Å; P289-F291 VanDerWaalsContact C-N 3.29Å; P289-F291 PolarHBondContact O-N 3.12Å; P289-R505 WeakPolarHBondContact O-CD 3.31Å; P289-I519 HydrophobicContact CG-CG2 4.01Å; P289-N520 WeakPolarHBondContact CD-O 3.27Å; P289-N521 VanDerWaalsContact CG-OD1 3.31Å; P289-N521 WeakPolarHBondContact CG-OD1 3.42Å
290N98.5Very high96.6Very high20 Ų2025.6 Ų25.611%0.10714%0.138CC..THydrogen-bonded Turntrans-96.136.9-179.9-63.8-46.8000112.4F288 F292 R505 N521 Y523 A524F288-N290 VanDerWaalsContact C-N 3.26Å; F288-N290 PolarHBondContact O-N 2.92Å; N290-F292 HydrophobicContact CB-CE2 4.19Å; N290-F292 VanDerWaalsContact O-CD2 3.23Å; N290-F292 WeakPolarHBondContact O-CD2 3.45Å; N290-F292 VanDerWaalsContact O-CE2 3.31Å; N290-F292 WeakPolarHBondContact O-CE2 3.28Å; N290-R505 PolarHBondContact OD1-NE 3.24Å; N290-R505 PolarHBondContact OD1-NH2 2.69Å; N290-N521 PolarHBondContact ND2-O 2.81Å; N290-Y523 HydrophobicContact CB-CD1 4.06Å; N290-Y523 HydrophobicContact CB-CD2 3.97Å; N290-Y523 HydrophobicContact CB-CE1 4.22Å; N290-Y523 HydrophobicContact CB-CE2 4.16Å; N290-Y523 HydrophobicContact CB-CG 3.93Å; N290-Y523 WeakPolarHBondContact O-CA 3.43Å; N290-A524 PolarHBondContact O-N 3.11Å
291F98.9Very high96.5Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-93.1122.5172-171.9-91.3000110.7F288 P289 M307 R505 T506 G507 F508 A524 G525 Q526 V529F288-F291 HydrophobicContact CB-CB 4.19Å; F288-F291 WeakPolarHBondContact O-CB 3.37Å; F288-F291 PolarHBondContact O-N 3.29Å; P289-F291 VanDerWaalsContact C-N 3.29Å; P289-F291 PolarHBondContact O-N 3.12Å; F291-M307 HydrophobicContact CZ-SD 4.24Å; F291-R505 WeakPolarHBondContact O-CA 2.82Å; F291-T506 PolarHBondContact O-N 3.21Å; F291-G507 PolarHBondContact O-N 3.32Å; F291-F508 HydrophobicContact CB-CB 3.8Å; F291-F508 HydrophobicContact CD1-CB 3.79Å; F291-F508 HydrophobicContact CD2-CB 3.53Å; F291-F508 HydrophobicContact CD2-CG 4.09Å; F291-F508 HydrophobicContact CE1-CB 4.15Å; F291-F508 HydrophobicContact CE2-CB 3.93Å; F291-F508 HydrophobicContact CE2-CD2 4.25Å; F291-F508 HydrophobicContact CE2-CG 4.06Å; F291-F508 HydrophobicContact CG-CB 3.43Å; F291-F508 VanDerWaalsContact CG-CB 3.43Å; F291-F508 HydrophobicContact CG-CG 4.42Å; F291-F508 HydrophobicContact CZ-CB 4.19Å; F291-F508 HydrophobicContact CZ-CD2 4.17Å; F291-F508 HydrophobicContact CZ-CG 4.36Å; F291-A524 WeakPolarHBondContact CA-O 3.46Å; F291-A524 HydrophobicContact CD2-CB 3.82Å; F291-G525 WeakPolarHBondContact CE2-O 3.3Å; F291-Q526 HydrophobicContact CE1-CG 3.78Å; F291-Q526 HydrophobicContact CZ-CB 4.37Å; F291-Q526 HydrophobicContact CZ-CG 3.85Å; F291-V529 HydrophobicContact CE2-CG2 3.9Å; F291-V529 HydrophobicContact CZ-CG2 3.89Å
292F98.8Very high96.7Very high0 Ų022.1 Ų22.10%011%0.11CC..EExtended strand (participates in β ladder)trans-112.5144-175.5-63.6-98.5000111.8N290 N504 R505 Y523 A524 V560 F562 I568N290-F292 HydrophobicContact CB-CE2 4.19Å; N290-F292 VanDerWaalsContact O-CD2 3.23Å; N290-F292 WeakPolarHBondContact O-CD2 3.45Å; N290-F292 VanDerWaalsContact O-CE2 3.31Å; N290-F292 WeakPolarHBondContact O-CE2 3.28Å; F292-N504 HydrophobicContact CD1-CB 4.23Å; F292-R505 HydrophobicContact CD1-CG 3.95Å; F292-R505 HydrophobicContact CE1-CG 3.47Å; F292-R505 VanDerWaalsContact CE1-CG 3.47Å; F292-R505 HydrophobicContact CE2-CG 4.09Å; F292-R505 HydrophobicContact CG-CG 4.46Å; F292-R505 HydrophobicContact CZ-CG 3.54Å; F292-R505 VanDerWaalsContact CZ-CZ 3.46Å; F292-Y523 AromaticContact CE2-CD1 3.61Å; F292-Y523 HydrophobicContact CE2-CD1 3.61Å; F292-Y523 AromaticContact CE2-CE1 3.89Å; F292-Y523 HydrophobicContact CE2-CE1 3.89Å; F292-Y523 HydrophobicContact CZ-CD1 4.23Å; F292-Y523 HydrophobicContact CZ-CE1 4.07Å; F292-A524 PolarHBondContact N-O 3.18Å; F292-V560 HydrophobicContact CB-CG1 4.16Å; F292-F562 HydrophobicContact CB-CE1 3.92Å; F292-F562 HydrophobicContact CB-CZ 4.36Å; F292-F562 HydrophobicContact CD1-CE1 4.02Å; F292-F562 AromaticContact CD1-CZ 3.75Å; F292-F562 HydrophobicContact CD1-CZ 3.75Å; F292-F562 HydrophobicContact CE1-CZ 4.33Å; F292-F562 HydrophobicContact CG-CE1 4.24Å; F292-F562 HydrophobicContact CG-CZ 4.2Å; F292-I568 HydrophobicContact CD1-CG2 4.48Å; F292-I568 HydrophobicContact CD2-CG2 4.1Å; F292-I568 HydrophobicContact CE1-CD1 4.11Å; F292-I568 HydrophobicContact CE1-CG2 4.31Å; F292-I568 HydrophobicContact CE2-CD1 4.45Å; F292-I568 HydrophobicContact CE2-CG2 3.95Å; F292-I568 HydrophobicContact CG-CG2 4.38Å; F292-I568 HydrophobicContact CZ-CD1 3.69Å; F292-I568 HydrophobicContact CZ-CG1 4.49Å; F292-I568 HydrophobicContact CZ-CG2 4.05Å
293H98.5Very high96.8Very high9 Ų913.3 Ų13.34%0.0427%0.072CC..  trans-70.2151.1165.678.486.8000110.9T295 D475 Y477 N504 T506H293-T295 HydrophobicContact CB-CG2 4.43Å; H293-T295 PolarHBondContact ND1-N 3.23Å; H293-T295 PolarHBondContact ND1-OG1 2.81Å; H293-D475 WeakPolarHBondContact CB-O 3.45Å; H293-Y477 AromaticContact CE1-CD1 3.62Å; H293-Y477 AromaticContact NE2-CD1 3.53Å; H293-N504 PolarHBondContact CD2-O 3.08Å; H293-N504 VanDerWaalsContact CD2-O 3.25Å; H293-N504 PolarHBondContact N-O 3.43Å; H293-N504 WeakPolarHBondContact NE2-CB 3.47Å; H293-N504 VanDerWaalsContact NE2-CG 3.3Å; H293-N504 PolarHBondContact NE2-OD1 3.14Å; H293-T506 HydrophobicContact CB-CG2 3.85Å
294Q98.2Very high97Very high2 Ų210.7 Ų10.71%0.0096%0.059CC..  trans-125.824.6-179.2-59.5178.8-70.500111.3Y312 V560 P561Q294-Y312 HydrophobicContact CB-CD1 4.44Å; Q294-V560 HydrophobicContact CG-CG1 4.31Å; Q294-P561 WeakPolarHBondContact CG-O 3.36Å; Q294-P561 PolarHBondContact NE2-O 3.43Å
295T97.1Very high97.1Very high12 Ų126.5 Ų6.57%0.0744%0.04CC..  trans-76.4152.8-174.466.50000112.2H293 K299 D302 D475 H476H293-T295 HydrophobicContact CB-CG2 4.43Å; H293-T295 PolarHBondContact ND1-N 3.23Å; H293-T295 PolarHBondContact ND1-OG1 2.81Å; T295-K299 VanDerWaalsContact CG2-O 3.24Å; T295-K299 WeakPolarHBondContact CG2-O 3.36Å; T295-D302 HydrophobicContact CG2-CB 4.04Å; T295-D475 WeakPolarHBondContact CG2-O 3.41Å; T295-H476 HydrophobicContact CG2-CB 4.25Å; T295-H476 WeakPolarHBondContact OG1-CB 3.31Å
296G93Very high97.1Very high21 Ų216.5 Ų6.522%0.2164%0.04CC..  trans-111.3-134170.300000111G298 K299 D302G296-G298 PolarHBondContact O-N 3.29Å; G296-K299 PolarHBondContact O-N 3.09Å; G296-D302 WeakPolarHBondContact CA-OD2 3.49Å; G296-D302 PolarHBondContact N-OD2 2.57Å
297Q91Very high97.1Very high5 Ų56 Ų62%0.0234%0.036CC..THydrogen-bonded Turntrans-67.8-19.9-179.3-54.9-167.4-45.900112.9Y90 D96 F97 T99 T102 K299Y90-Q297 PolarHBondContact OH-NE2 3.45Å; D96-Q297 VanDerWaalsContact OD2-CG 3.27Å; D96-Q297 WeakPolarHBondContact OD2-CG 3.34Å; D96-Q297 PolarHBondContact OD2-NE2 3.2Å; F97-Q297 PolarHBondContact O-NE2 3.16Å; T99-Q297 PolarHBondContact OG1-OE1 3.41Å; T102-Q297 HydrophobicContact CG2-CB 4.1Å; T102-Q297 HydrophobicContact CG2-CG 4.46Å; Q297-K299 VanDerWaalsContact C-N 3.35Å
298G92.3Very high97.1Very high0 Ų05.2 Ų5.20%03%0.034CC..THydrogen-bonded Turntrans-79-12.7177.400000114.7G296 T300 S301 D302 W354G296-G298 PolarHBondContact O-N 3.29Å; G298-T300 PolarHBondContact O-N 3.15Å; G298-T300 VanDerWaalsContact O-N 3.08Å; G298-S301 WeakPolarHBondContact CA-OG 3.47Å; G298-S301 PolarHBondContact O-N 3.41Å; G298-S301 PolarHBondContact O-OG 3.31Å; G298-D302 VanDerWaalsContact CA-CG 3.48Å; G298-D302 VanDerWaalsContact CA-OD2 3.23Å; G298-D302 WeakPolarHBondContact CA-OD2 3.46Å; G298-D302 PolarHBondContact N-OD2 3.4Å; G298-W354 WeakPolarHBondContact O-CZ2 3.42Å
299K93.3Very high97.1Very high10 Ų105.5 Ų5.54%0.0434%0.035CC..THydrogen-bonded Turntrans45.7-113.3176.9-73.2-169.4175.5-175.30111.6F93 F94 T295 G296 Q297 S301 D302 S303F93-K299 VanDerWaalsContact CE1-NZ 3.32Å; F93-K299 VanDerWaalsContact CE2-NZ 3.31Å; F93-K299 HydrophobicContact CZ-CD 4.42Å; F93-K299 PolarHBondContact O-NZ 2.7Å; F94-K299 HydrophobicContact CD1-CD 4.31Å; F94-K299 HydrophobicContact CE1-CD 4Å; F94-K299 HydrophobicContact CE1-CG 4.33Å; T295-K299 VanDerWaalsContact CG2-O 3.24Å; T295-K299 WeakPolarHBondContact CG2-O 3.36Å; G296-K299 PolarHBondContact O-N 3.09Å; Q297-K299 VanDerWaalsContact C-N 3.35Å; K299-S301 VanDerWaalsContact C-N 3.31Å; K299-S301 PolarHBondContact O-N 3.13Å; K299-D302 PolarHBondContact O-N 2.59Å; K299-D302 VanDerWaalsContact O-N 3.1Å; K299-S303 PolarHBondContact O-N 3.47Å
300T95.7Very high97.1Very high7 Ų74.5 Ų4.54%0.0433%0.029CC..Hα-helixtrans-47.1-50.9176.8-440000112H253 E255 G298 D302 S303 E304 I411 D475 H476H253-T300 VanDerWaalsContact CE1-CG2 3.43Å; H253-T300 WeakPolarHBondContact CE1-CG2 3.29Å; E255-T300 PolarHBondContact OE2-OG1 2.77Å; G298-T300 PolarHBondContact O-N 3.15Å; G298-T300 VanDerWaalsContact O-N 3.08Å; T300-D302 VanDerWaalsContact C-N 3.35Å; T300-D302 PolarHBondContact O-N 2.73Å; T300-S303 WeakPolarHBondContact O-CB 3.46Å; T300-S303 PolarHBondContact O-N 2.98Å; T300-S303 VanDerWaalsContact O-N 3.12Å; T300-E304 WeakPolarHBondContact O-CG 3.34Å; T300-E304 PolarHBondContact O-N 2.94Å; T300-I411 HydrophobicContact CG2-CG2 4.31Å; T300-D475 WeakPolarHBondContact CA-OD2 3.46Å; T300-D475 PolarHBondContact OG1-OD2 3.43Å; T300-H476 PolarHBondContact N-CD2 3.17Å; T300-H476 PolarHBondContact OG1-NE2 3.34Å
301S96.3Very high97.1Very high0 Ų03.5 Ų3.50%02%0.023CC..Hα-helixtrans-66.3-33.8-177.162.60000113.5G298 K299 S303 F305 S318G298-S301 WeakPolarHBondContact CA-OG 3.47Å; G298-S301 PolarHBondContact O-N 3.41Å; G298-S301 PolarHBondContact O-OG 3.31Å; K299-S301 VanDerWaalsContact C-N 3.31Å; K299-S301 PolarHBondContact O-N 3.13Å; S301-S303 VanDerWaalsContact C-N 3.34Å; S301-F305 WeakPolarHBondContact O-CB 3.44Å; S301-F305 PolarHBondContact O-N 3.16Å; S301-S318 WeakPolarHBondContact OG-CB 3.38Å; S301-S318 PolarHBondContact OG-OG 3.47Å
302D98.1Very high97.1Very high0 Ų03.8 Ų3.80%02%0.024CC..Hα-helixtrans-67.8-38.6173.9-72-20.5000110.6T295 G296 G298 K299 T300 F305 T306T295-D302 HydrophobicContact CG2-CB 4.04Å; G296-D302 WeakPolarHBondContact CA-OD2 3.49Å; G296-D302 PolarHBondContact N-OD2 2.57Å; G298-D302 VanDerWaalsContact CA-CG 3.48Å; G298-D302 VanDerWaalsContact CA-OD2 3.23Å; G298-D302 WeakPolarHBondContact CA-OD2 3.46Å; G298-D302 PolarHBondContact N-OD2 3.4Å; K299-D302 PolarHBondContact O-N 2.59Å; K299-D302 VanDerWaalsContact O-N 3.1Å; T300-D302 VanDerWaalsContact C-N 3.35Å; T300-D302 PolarHBondContact O-N 2.73Å; D302-F305 WeakPolarHBondContact O-CB 3.16Å; D302-F305 PolarHBondContact O-N 2.87Å; D302-T306 WeakPolarHBondContact O-CB 3.39Å; D302-T306 PolarHBondContact O-N 3.19Å; D302-T306 PolarHBondContact O-OG1 3.41Å; D302-T306 VanDerWaalsContact O-OG1 3.13Å
303S98.8Very high96.9Very high0 Ų03.8 Ų3.80%02%0.024CC..Hα-helixtrans-63.5-48177.6-176.70000111.3K299 T300 S301 F305 T306 M307 Y473 D475 Q526K299-S303 PolarHBondContact O-N 3.47Å; T300-S303 WeakPolarHBondContact O-CB 3.46Å; T300-S303 PolarHBondContact O-N 2.98Å; T300-S303 VanDerWaalsContact O-N 3.12Å; S301-S303 VanDerWaalsContact C-N 3.34Å; S303-F305 VanDerWaalsContact C-N 3.32Å; S303-F305 PolarHBondContact O-N 3.03Å; S303-T306 PolarHBondContact O-N 2.88Å; S303-M307 VanDerWaalsContact O-CB 3.27Å; S303-M307 WeakPolarHBondContact O-CB 3.35Å; S303-M307 WeakPolarHBondContact O-CG 3.42Å; S303-M307 PolarHBondContact O-N 3.44Å; S303-Y473 VanDerWaalsContact OG-CE2 3.3Å; S303-Y473 WeakPolarHBondContact OG-CE2 3.46Å; S303-D475 WeakPolarHBondContact OG-CA 3.39Å; S303-D475 WeakPolarHBondContact OG-CB 3.33Å; S303-Q526 PolarHBondContact OG-NE2 3.36Å
304E98.6Very high96.7Very high0 Ų03.5 Ų3.50%02%0.023CC..Hα-helixtrans-57.6-47.4174.6-61.5-174.2-111.700111.8T300 D308 F320 R356 Y360 H409 I411T300-E304 WeakPolarHBondContact O-CG 3.34Å; T300-E304 PolarHBondContact O-N 2.94Å; E304-D308 PolarHBondContact O-N 2.95Å; E304-F320 HydrophobicContact CB-CE1 4.31Å; E304-F320 HydrophobicContact CB-CZ 3.77Å; E304-R356 IonicContact OE1-CZ 3.9Å; E304-R356 IonicContact OE1-NE 3.89Å; E304-R356 PolarHBondContact OE1-NE 3.05Å; E304-R356 IonicContact OE1-NH2 3.55Å; E304-R356 PolarHBondContact OE1-NH2 2.8Å; E304-R356 IonicContact OE2-NE 3.1Å; E304-Y360 PolarHBondContact OE2-OH 2.97Å; E304-H409 IonicContact OE2-CE1 2.73Å; E304-I411 HydrophobicContact CG-CD1 4.4Å; E304-I411 VanDerWaalsContact OE2-CD1 3.26Å; E304-I411 WeakPolarHBondContact OE2-CD1 3.45Å
305F98.8Very high96.4Very high0 Ų03.7 Ų3.70%03%0.025CC..Hα-helixtrans-55.5-54.2177.6176-96.6000111.5S301 D302 S303 D308 N309 L311 Y312 A319 F320 Y328 F363 L613S301-F305 WeakPolarHBondContact O-CB 3.44Å; S301-F305 PolarHBondContact O-N 3.16Å; D302-F305 WeakPolarHBondContact O-CB 3.16Å; D302-F305 PolarHBondContact O-N 2.87Å; S303-F305 VanDerWaalsContact C-N 3.32Å; S303-F305 PolarHBondContact O-N 3.03Å; F305-D308 PolarHBondContact O-N 2.93Å; F305-N309 HydrophobicContact CE2-CB 4.36Å; F305-N309 HydrophobicContact CZ-CB 4.27Å; F305-N309 WeakPolarHBondContact O-CB 3.44Å; F305-N309 PolarHBondContact O-N 2.68Å; F305-N309 PolarHBondContact O-ND2 3.28Å; F305-L311 HydrophobicContact CE1-CB 3.43Å; F305-L311 VanDerWaalsContact CE1-CB 3.43Å; F305-L311 HydrophobicContact CE1-CD1 4.42Å; F305-L311 HydrophobicContact CZ-CB 3.66Å; F305-L311 HydrophobicContact CZ-CD1 3.77Å; F305-L311 HydrophobicContact CZ-CG 4.36Å; F305-Y312 WeakPolarHBondContact CE1-O 3.1Å; F305-A319 HydrophobicContact CD1-CB 4.45Å; F305-A319 HydrophobicContact CD2-CB 4.06Å; F305-A319 HydrophobicContact CE2-CB 4.28Å; F305-A319 HydrophobicContact CG-CB 4.21Å; F305-F320 HydrophobicContact CB-CD2 4.08Å; F305-F320 HydrophobicContact CB-CE2 3.61Å; F305-F320 HydrophobicContact CD2-CD2 4.33Å; F305-F320 HydrophobicContact CD2-CE2 4.15Å; F305-F320 HydrophobicContact CG-CE2 4.39Å; F305-Y328 HydrophobicContact CE2-CD1 4.24Å; F305-Y328 AromaticContact CE2-CE1 3.55Å; F305-Y328 HydrophobicContact CE2-CE1 3.55Å; F305-Y328 HydrophobicContact CZ-CE1 4.19Å; F305-F363 AromaticContact CD2-CZ 3.9Å; F305-F363 HydrophobicContact CD2-CZ 3.9Å; F305-F363 HydrophobicContact CE2-CZ 4.45Å; F305-L613 HydrophobicContact CE1-CD1 3.94Å; F305-L613 HydrophobicContact CE1-CD2 4.36Å; F305-L613 HydrophobicContact CE2-CD2 3.92Å; F305-L613 HydrophobicContact CZ-CD1 3.91Å; F305-L613 HydrophobicContact CZ-CD2 3.49Å; F305-L613 VanDerWaalsContact CZ-CD2 3.49Å; F305-L613 HydrophobicContact CZ-CG 4.08Å
306T98.8Very high96Very high0 Ų03.5 Ų3.50%02%0.023CC..Hα-helixtrans-65.3-43.9-174.6-69.30000111.9D302 S303 D308 N309 S310 L311 Q526 V527D302-T306 WeakPolarHBondContact O-CB 3.39Å; D302-T306 PolarHBondContact O-N 3.19Å; D302-T306 PolarHBondContact O-OG1 3.41Å; D302-T306 VanDerWaalsContact O-OG1 3.13Å; S303-T306 PolarHBondContact O-N 2.88Å; T306-D308 VanDerWaalsContact C-N 3.27Å; T306-D308 PolarHBondContact O-N 3.45Å; T306-N309 PolarHBondContact O-N 2.87Å; T306-S310 WeakPolarHBondContact O-CA 3.34Å; T306-S310 PolarHBondContact O-N 3.06Å; T306-L311 WeakPolarHBondContact CA-O 3.45Å; T306-L311 WeakPolarHBondContact CB-O 3.49Å; T306-L311 WeakPolarHBondContact CG2-O 3.34Å; T306-L311 PolarHBondContact OG1-O 3.4Å; T306-Q526 HydrophobicContact CG2-CB 3.65Å; T306-V527 HydrophobicContact CG2-CB 3.89Å; T306-V527 HydrophobicContact CG2-CG2 4.4Å; T306-V527 VanDerWaalsContact CG2-N 3.34Å
307M98.6Very high95.8Very high1 Ų12.5 Ų2.51%0.0051%0.013CC..Hα-helixtrans-61.8-33.7179.4-70.2-77-67.200113.1F291 S303 Y473 Q526 V529F291-M307 HydrophobicContact CZ-SD 4.24Å; S303-M307 VanDerWaalsContact O-CB 3.27Å; S303-M307 WeakPolarHBondContact O-CB 3.35Å; S303-M307 WeakPolarHBondContact O-CG 3.42Å; S303-M307 PolarHBondContact O-N 3.44Å; M307-Y473 HydrophobicContact CE-CD1 3.79Å; M307-Y473 HydrophobicContact CE-CD2 4.28Å; M307-Y473 HydrophobicContact CE-CE1 3.78Å; M307-Y473 HydrophobicContact CE-CE2 4.32Å; M307-Y473 HydrophobicContact CE-CG 4.04Å; M307-Y473 HydrophobicContact CG-CE2 4.22Å; M307-Y473 HydrophobicContact SD-CD2 4.47Å; M307-Y473 HydrophobicContact SD-CE2 4.48Å; M307-Q526 HydrophobicContact CG-CB 4.12Å; M307-Q526 HydrophobicContact CG-CG 4.28Å; M307-Q526 HydrophobicContact SD-CB 3.84Å; M307-Q526 HydrophobicContact SD-CG 3.91Å; M307-V529 HydrophobicContact CE-CB 3.77Å; M307-V529 HydrophobicContact CE-CG1 3.58Å; M307-V529 HydrophobicContact CE-CG2 3.64Å; M307-V529 HydrophobicContact SD-CB 3.72Å; M307-V529 HydrophobicContact SD-CG1 4.23Å; M307-V529 HydrophobicContact SD-CG2 3.44Å; M307-V529 WeakPolarHBondContact SD-CG2 3.23Å
308D98.8Very high95.9Very high2 Ų22.3 Ų2.31%0.0111%0.012CC..Hα-helixtrans-98.2-9.3-175.1-716.9000113.3K251 E304 F305 T306 S330 L331 Y407K251-D308 IonicContact NZ-OD1 2.85Å; K251-D308 PolarHBondContact NZ-OD1 2.83Å; K251-D308 IonicContact NZ-OD2 2.62Å; E304-D308 PolarHBondContact O-N 2.95Å; F305-D308 PolarHBondContact O-N 2.93Å; T306-D308 VanDerWaalsContact C-N 3.27Å; T306-D308 PolarHBondContact O-N 3.45Å; D308-S330 CarbonylContact O-C 3.57Å; D308-S330 VanDerWaalsContact O-CA 3.28Å; D308-S330 WeakPolarHBondContact O-CA 3.41Å; D308-L331 HydrophobicContact CB-CB 4.45Å; D308-L331 WeakPolarHBondContact O-CB 3.49Å; D308-L331 PolarHBondContact O-N 3.27Å; D308-Y407 PolarHBondContact OD1-OH 3.23Å; D308-Y407 PolarHBondContact OD2-OH 3.37Å
309N98.8Very high96Very high5 Ų52.3 Ų2.33%0.0271%0.012CC..Hα-helixtrans-126.5-10.5-176.5-63.6-85.3000114.5F305 T306 L311 S330 F363 M530F305-N309 HydrophobicContact CE2-CB 4.36Å; F305-N309 HydrophobicContact CZ-CB 4.27Å; F305-N309 WeakPolarHBondContact O-CB 3.44Å; F305-N309 PolarHBondContact O-N 2.68Å; F305-N309 PolarHBondContact O-ND2 3.28Å; T306-N309 PolarHBondContact O-N 2.87Å; N309-L311 HydrophobicContact CB-CB 4.27Å; N309-L311 HydrophobicContact CB-CD1 4.16Å; N309-L311 HydrophobicContact CB-CG 4.26Å; N309-L311 PolarHBondContact O-N 3.05Å; N309-S330 WeakPolarHBondContact OD1-CB 3.35Å; N309-S330 PolarHBondContact OD1-OG 3.38Å; N309-F363 WeakPolarHBondContact ND2-CZ 3.44Å; N309-M530 VanDerWaalsContact CA-SD 3.52Å
310S98.6Very high96Very high0 Ų01.8 Ų1.80%01%0.01CC..SBendtrans52.540-172-156.90000112.4T306 V527 F547 G548T306-S310 WeakPolarHBondContact O-CA 3.34Å; T306-S310 PolarHBondContact O-N 3.06Å; S310-V527 VanDerWaalsContact C-CG2 3.45Å; S310-V527 WeakPolarHBondContact CB-O 3.2Å; S310-V527 WeakPolarHBondContact O-CG2 3.22Å; S310-V527 PolarHBondContact OG-O 2.86Å; S310-F547 PolarHBondContact O-N 3.48Å; S310-F547 PolarHBondContact OG-N 3.11Å; S310-G548 WeakPolarHBondContact OG-CA 3.32Å; S310-G548 PolarHBondContact OG-N 3.08Å
311L98.6Very high95.7Very high0 Ų03.3 Ų3.30%02%0.02CC..  trans-128.2151.6177.5-70.4174.7000109.2F305 T306 N309 L545 F547 V612 F618F305-L311 HydrophobicContact CE1-CB 3.43Å; F305-L311 VanDerWaalsContact CE1-CB 3.43Å; F305-L311 HydrophobicContact CE1-CD1 4.42Å; F305-L311 HydrophobicContact CZ-CB 3.66Å; F305-L311 HydrophobicContact CZ-CD1 3.77Å; F305-L311 HydrophobicContact CZ-CG 4.36Å; T306-L311 WeakPolarHBondContact CA-O 3.45Å; T306-L311 WeakPolarHBondContact CB-O 3.49Å; T306-L311 WeakPolarHBondContact CG2-O 3.34Å; T306-L311 PolarHBondContact OG1-O 3.4Å; N309-L311 HydrophobicContact CB-CB 4.27Å; N309-L311 HydrophobicContact CB-CD1 4.16Å; N309-L311 HydrophobicContact CB-CG 4.26Å; N309-L311 PolarHBondContact O-N 3.05Å; L311-L545 HydrophobicContact CD2-CD2 4.04Å; L311-F547 HydrophobicContact CD2-CD2 3.54Å; L311-F547 HydrophobicContact CD2-CE2 3.45Å; L311-F547 VanDerWaalsContact CD2-CE2 3.45Å; L311-V612 HydrophobicContact CD1-CG1 4.01Å; L311-V612 HydrophobicContact CD2-CB 4.41Å; L311-V612 HydrophobicContact CD2-CG1 4.22Å; L311-F618 HydrophobicContact CD1-CE2 3.96Å
312Y98.3Very high95.5Very high5 Ų55.4 Ų5.42%0.023%0.031CC..  trans-79.8146.4172.5-56.6-71.6000110.7Q294 F305 V527 F547 P561 D605 L606 S609 L613Q294-Y312 HydrophobicContact CB-CD1 4.44Å; F305-Y312 WeakPolarHBondContact CE1-O 3.1Å; Y312-V527 HydrophobicContact CE1-CB 4Å; Y312-V527 HydrophobicContact CE1-CG1 4.12Å; Y312-V527 HydrophobicContact CE1-CG2 4.13Å; Y312-F547 HydrophobicContact CE2-CB 3.92Å; Y312-F547 HydrophobicContact CE2-CD1 4.35Å; Y312-F547 HydrophobicContact CE2-CG 4.22Å; Y312-P561 HydrophobicContact CE1-CG 3.62Å; Y312-P561 HydrophobicContact CE2-CG 4.38Å; Y312-P561 VanDerWaalsContact CZ-CG 3.45Å; Y312-P561 WeakPolarHBondContact OH-CG 3.48Å; Y312-D605 HydrophobicContact CE2-CB 3.99Å; Y312-L606 HydrophobicContact CD1-CD2 4.19Å; Y312-L606 HydrophobicContact CD2-CD2 3.84Å; Y312-L606 HydrophobicContact CE2-CD2 4.41Å; Y312-L606 HydrophobicContact CG-CD2 3.72Å; Y312-S609 PolarHBondContact N-OG 3.27Å; Y312-S609 PolarHBondContact O-OG 2.86Å; Y312-L613 VanDerWaalsContact O-CD1 3.31Å; Y312-L613 WeakPolarHBondContact O-CD1 3.36Å
313G95.8Very high95.3Very high0 Ų05.9 Ų5.90%03%0.033CC..  trans-58.7174.2168.900000112.5R563G313-R563 WeakPolarHBondContact O-CD 3.48Å; G313-R563 PolarHBondContact O-NE 3.35Å; G313-R563 PolarHBondContact O-NH2 3.18Å
314L94.3Very high94.9Very high3 Ų36.1 Ų6.12%0.0164%0.036CC..  trans-75.2157.6179.7-75.3176.9000112.2Q316 A319 L322 K323 R563 L613L314-Q316 VanDerWaalsContact C-N 3.3Å; L314-A319 HydrophobicContact CD1-CB 4.46Å; L314-A319 HydrophobicContact CG-CB 4.24Å; L314-L322 HydrophobicContact CD1-CB 3.93Å; L314-L322 HydrophobicContact CD1-CD1 3.87Å; L314-K323 HydrophobicContact CD1-CG 3.81Å; L314-R563 PolarHBondContact O-NE 3.39Å; L314-R563 VanDerWaalsContact O-NE 3.15Å; L314-L613 HydrophobicContact CD2-CB 3.94Å; L314-L613 HydrophobicContact CD2-CD1 3.88Å; L314-L613 HydrophobicContact CG-CD1 4.1Å
315P91Very high94.6Very high7 Ų710.9 Ų10.95%0.0456%0.061CC..SBendtrans-75-27.8177.723.1-19000111.1F185 H187 R563F185-P315 HydrophobicContact CB-CB 3.9Å; H187-P315 PolarHBondContact CE1-O 2.82Å; P315-R563 VanDerWaalsContact CA-CZ 3.42Å; P315-R563 VanDerWaalsContact CB-NH2 3.34Å; P315-R563 VanDerWaalsContact CG-NH2 3.33Å; P315-R563 VanDerWaalsContact N-CZ 3.32Å
316Q89Confident94.6Very high8 Ų811 Ų114%0.0376%0.062CC..SBendtrans-129.5116.6-177.550.5175.1105.500110.4T99 S101 T207 N210 L314 L322T99-Q316 HydrophobicContact CG2-CB 3.88Å; S101-Q316 WeakPolarHBondContact CB-O 3.36Å; S101-Q316 PolarHBondContact OG-NE2 3.04Å; S101-Q316 PolarHBondContact OG-O 2.9Å; T207-Q316 PolarHBondContact OG1-NE2 3.26Å; N210-Q316 PolarHBondContact ND2-OE1 3.33Å; L314-Q316 VanDerWaalsContact C-N 3.3Å; Q316-L322 WeakPolarHBondContact O-CD1 3.37Å
317G89.3Confident94.6Very high0 Ų012.5 Ų12.50%07%0.071CC..SBendtrans69-168.3-17300000114.1
318S92.1Very high94.6Very high0 Ų012.6 Ų12.60%07%0.072CC..  trans-100.3139-179.5172.40000111.9S301 F320 S321 L322S301-S318 WeakPolarHBondContact OG-CB 3.38Å; S301-S318 PolarHBondContact OG-OG 3.47Å; S318-F320 PolarHBondContact O-N 3.37Å; S318-F320 PolarHBondContact OG-N 3.39Å; S318-F320 VanDerWaalsContact OG-N 3.12Å; S318-S321 PolarHBondContact O-N 2.75Å; S318-L322 WeakPolarHBondContact O-CB 3.43Å; S318-L322 WeakPolarHBondContact O-CG 3.46Å; S318-L322 PolarHBondContact O-N 3.2Å
319A94.5Very high94.5Very high0 Ų013 Ų130%07%0.074CC..Hα-helixtrans-57.1-37170.900000111.9F305 L314 S321 K323 G324 L613F305-A319 HydrophobicContact CD1-CB 4.45Å; F305-A319 HydrophobicContact CD2-CB 4.06Å; F305-A319 HydrophobicContact CE2-CB 4.28Å; F305-A319 HydrophobicContact CG-CB 4.21Å; L314-A319 HydrophobicContact CD1-CB 4.46Å; L314-A319 HydrophobicContact CG-CB 4.24Å; A319-S321 VanDerWaalsContact C-N 3.31Å; A319-S321 PolarHBondContact O-N 2.73Å; A319-K323 CarbonylContact O-C 3.31Å; A319-K323 WeakPolarHBondContact O-CA 3.38Å; A319-K323 WeakPolarHBondContact O-CB 3.47Å; A319-K323 PolarHBondContact O-N 3.44Å; A319-G324 PolarHBondContact O-N 3.28Å; A319-L613 HydrophobicContact CB-CD1 4.19Å
320F93.2Very high94.5Very high0 Ų012.8 Ų12.80%07%0.072CC..Hα-helixtrans-60.9-39.4179.2-84.2-153.7000112.5E304 F305 S318 G324 W354 N355 R356 V359 Y360 F363E304-F320 HydrophobicContact CB-CE1 4.31Å; E304-F320 HydrophobicContact CB-CZ 3.77Å; F305-F320 HydrophobicContact CB-CD2 4.08Å; F305-F320 HydrophobicContact CB-CE2 3.61Å; F305-F320 HydrophobicContact CD2-CD2 4.33Å; F305-F320 HydrophobicContact CD2-CE2 4.15Å; F305-F320 HydrophobicContact CG-CE2 4.39Å; S318-F320 PolarHBondContact O-N 3.37Å; S318-F320 PolarHBondContact OG-N 3.39Å; S318-F320 VanDerWaalsContact OG-N 3.12Å; F320-G324 WeakPolarHBondContact O-CA 3.44Å; F320-G324 PolarHBondContact O-N 2.89Å; F320-W354 VanDerWaalsContact CB-O 3.26Å; F320-W354 WeakPolarHBondContact CB-O 3.42Å; F320-W354 HydrophobicContact CD1-CB 4.2Å; F320-N355 PolarHBondContact O-ND2 3.37Å; F320-R356 HydrophobicContact CD1-CG 4.07Å; F320-R356 HydrophobicContact CE1-CG 3.94Å; F320-V359 HydrophobicContact CB-CG2 3.8Å; F320-V359 HydrophobicContact CD1-CB 4.44Å; F320-V359 HydrophobicContact CD1-CG1 4.38Å; F320-V359 HydrophobicContact CD1-CG2 4.31Å; F320-V359 HydrophobicContact CD2-CG1 3.77Å; F320-V359 HydrophobicContact CD2-CG2 4.35Å; F320-V359 HydrophobicContact CE1-CG1 4.46Å; F320-V359 HydrophobicContact CE2-CG1 3.82Å; F320-V359 HydrophobicContact CG-CB 4.33Å; F320-V359 HydrophobicContact CG-CG1 4.06Å; F320-V359 HydrophobicContact CG-CG2 3.92Å; F320-V359 HydrophobicContact CZ-CG1 4.18Å; F320-V359 WeakPolarHBondContact O-CG2 3.36Å; F320-Y360 AromaticContact CE1-CE1 3.98Å; F320-Y360 HydrophobicContact CE1-CE1 3.98Å; F320-Y360 HydrophobicContact CZ-CE1 4.11Å; F320-F363 HydrophobicContact CD2-CZ 4.45Å; F320-F363 AromaticContact CE2-CE2 3.7Å; F320-F363 HydrophobicContact CE2-CE2 3.7Å; F320-F363 AromaticContact CE2-CZ 3.62Å; F320-F363 HydrophobicContact CE2-CZ 3.62Å; F320-F363 AromaticContact CZ-CE2 3.83Å; F320-F363 HydrophobicContact CZ-CE2 3.83Å; F320-F363 HydrophobicContact CZ-CZ 4.22Å
321S89.6Confident94.5Very high38 Ų3812.8 Ų12.827%0.2667%0.072SC..Hα-helixtrans-83.9-38.8-179.4-51.50000112.8Q105 S318 A319Q105-S321 PolarHBondContact NE2-OG 2.87Å; S318-S321 PolarHBondContact O-N 2.75Å; A319-S321 VanDerWaalsContact C-N 3.31Å; A319-S321 PolarHBondContact O-N 2.73Å
322L91.4Very high94.5Very high44 Ų4412.9 Ų12.923%0.237%0.073CC..Hα-helixtrans-92.4-22.1-170.7-62173.7000113.8S101 L314 Q316 S318S101-L322 WeakPolarHBondContact OG-CD1 3.39Å; L314-L322 HydrophobicContact CD1-CB 3.93Å; L314-L322 HydrophobicContact CD1-CD1 3.87Å; Q316-L322 WeakPolarHBondContact O-CD1 3.37Å; S318-L322 WeakPolarHBondContact O-CB 3.43Å; S318-L322 WeakPolarHBondContact O-CG 3.46Å; S318-L322 PolarHBondContact O-N 3.2Å
323K93.9Very high94.6Very high10 Ų1012.7 Ų12.74%0.0437%0.072CC..SBendtrans-13419.2-173.8-53.6-62.9165.9-166.10111.8L314 A319 D325 N326 Y328 N614L314-K323 HydrophobicContact CD1-CG 3.81Å; A319-K323 CarbonylContact O-C 3.31Å; A319-K323 WeakPolarHBondContact O-CA 3.38Å; A319-K323 WeakPolarHBondContact O-CB 3.47Å; A319-K323 PolarHBondContact O-N 3.44Å; K323-D325 PolarHBondContact O-N 3.34Å; K323-N326 VanDerWaalsContact O-CB 3.28Å; K323-N326 WeakPolarHBondContact O-CB 3.42Å; K323-N326 PolarHBondContact O-N 3.27Å; K323-Y328 PolarHBondContact O-OH 3Å; K323-N614 WeakPolarHBondContact CE-OD1 3.44Å
324G90.4Very high94.7Very high5 Ų512.7 Ų12.75%0.0527%0.072CC..THydrogen-bonded Turntrans-66.4-7.3-174.100000115.8A319 F320 H362A319-G324 PolarHBondContact O-N 3.28Å; F320-G324 WeakPolarHBondContact O-CA 3.44Å; F320-G324 PolarHBondContact O-N 2.89Å; G324-H362 PolarHBondContact O-CE1 2.89Å; G324-H362 PolarHBondContact O-ND1 2.77Å; G324-H362 VanDerWaalsContact O-ND1 3.14Å
325D93.2Very high94.9Very high100 Ų10012.5 Ų12.554%0.5357%0.071SC..THydrogen-bonded Turntrans-101.64.4174.673.8-36.7000113.4K214 K323K214-D325 VanDerWaalsContact NZ-CG 3.3Å; K214-D325 IonicContact NZ-OD1 3.62Å; K214-D325 PolarHBondContact NZ-OD1 3.12Å; K214-D325 IonicContact NZ-OD2 3.58Å; K214-D325 PolarHBondContact NZ-OD2 3.22Å; K323-D325 PolarHBondContact O-N 3.34Å
326N97.9Very high95.3Very high2 Ų214 Ų141%0.0118%0.079CC..SBendtrans-71.4162.8179.4-79.86.4000112.7K214 K323 Y328 H362 L613 D616K214-N326 PolarHBondContact NZ-OD1 3.4Å; K323-N326 VanDerWaalsContact O-CB 3.28Å; K323-N326 WeakPolarHBondContact O-CB 3.42Å; K323-N326 PolarHBondContact O-N 3.27Å; N326-Y328 HydrophobicContact CB-CD2 4.48Å; N326-Y328 HydrophobicContact CB-CE1 4.31Å; N326-Y328 HydrophobicContact CB-CE2 3.76Å; N326-Y328 VanDerWaalsContact O-CD2 3.26Å; N326-Y328 WeakPolarHBondContact O-CD2 3.49Å; N326-Y328 WeakPolarHBondContact O-CE2 3.23Å; N326-H362 PolarHBondContact O-CD2 3.49Å; N326-H362 VanDerWaalsContact O-CD2 3.28Å; N326-L613 PolarHBondContact ND2-O 2.99Å; N326-D616 HydrophobicContact CB-CB 4.26Å; N326-D616 WeakPolarHBondContact CB-OD1 3.5Å; N326-D616 WeakPolarHBondContact OD1-CB 3.41Å
327T98.5Very high95.7Very high32 Ų3217.1 Ų17.120%0.1969%0.094CC..  trans-76.6133.4168.4-51.60000109.6D616 F618 K628T327-D616 WeakPolarHBondContact CB-OD1 3.45Å; T327-D616 PolarHBondContact N-OD1 3.36Å; T327-D616 PolarHBondContact OG1-OD1 3.38Å; T327-F618 HydrophobicContact CG2-CB 3.85Å; T327-F618 WeakPolarHBondContact O-CB 3.43Å; T327-F618 WeakPolarHBondContact O-CD2 3.23Å; T327-K628 HydrophobicContact CG2-CD 4.14Å; T327-K628 HydrophobicContact CG2-CG 4.08Å
328Y98.6Very high96.2Very high4 Ų420.9 Ų20.92%0.01611%0.11CC..  trans-130.6157.2177.4-64.1-72.2000112.5F305 K323 N326 S330 H362 F363 L613 F626F305-Y328 HydrophobicContact CE2-CD1 4.24Å; F305-Y328 AromaticContact CE2-CE1 3.55Å; F305-Y328 HydrophobicContact CE2-CE1 3.55Å; F305-Y328 HydrophobicContact CZ-CE1 4.19Å; K323-Y328 PolarHBondContact O-OH 3Å; N326-Y328 HydrophobicContact CB-CD2 4.48Å; N326-Y328 HydrophobicContact CB-CE1 4.31Å; N326-Y328 HydrophobicContact CB-CE2 3.76Å; N326-Y328 VanDerWaalsContact O-CD2 3.26Å; N326-Y328 WeakPolarHBondContact O-CD2 3.49Å; N326-Y328 WeakPolarHBondContact O-CE2 3.23Å; Y328-S330 WeakPolarHBondContact CB-OG 3.18Å; Y328-H362 HydrophobicContact CD2-CB 3.9Å; Y328-H362 HydrophobicContact CE2-CB 4.45Å; Y328-F363 HydrophobicContact CD1-CE1 4.19Å; Y328-F363 AromaticContact CD2-CD1 3.83Å; Y328-F363 HydrophobicContact CD2-CD1 3.83Å; Y328-F363 AromaticContact CD2-CE1 3.62Å; Y328-F363 HydrophobicContact CD2-CE1 3.62Å; Y328-F363 HydrophobicContact CE1-CE1 4.46Å; Y328-F363 HydrophobicContact CE2-CD1 4.46Å; Y328-F363 AromaticContact CE2-CE1 3.89Å; Y328-F363 HydrophobicContact CE2-CE1 3.89Å; Y328-F363 HydrophobicContact CG-CD1 4.01Å; Y328-F363 AromaticContact CG-CE1 3.76Å; Y328-F363 HydrophobicContact CG-CE1 3.76Å; Y328-L613 HydrophobicContact CE1-CD2 3.9Å; Y328-F626 WeakPolarHBondContact O-CE1 3.37Å
329Q98.1Very high96.5Very high11 Ų1121.6 Ų21.65%0.05111%0.113CC..  trans-117.356.1169.8-59-171.7100109.2I334 M530 Y544 F618 Y621 N623 F626Q329-I334 WeakPolarHBondContact O-CD1 3.44Å; Q329-M530 VanDerWaalsContact O-CE 3.29Å; Q329-M530 WeakPolarHBondContact O-CE 3.49Å; Q329-Y544 HydrophobicContact CB-CD1 4.38Å; Q329-F618 HydrophobicContact CB-CE1 4.18Å; Q329-F618 HydrophobicContact CB-CZ 4.37Å; Q329-F618 HydrophobicContact CG-CD1 3.69Å; Q329-F618 HydrophobicContact CG-CE1 3.74Å; Q329-F618 HydrophobicContact CG-CG 4.27Å; Q329-F618 HydrophobicContact CG-CZ 4.35Å; Q329-Y621 VanDerWaalsContact NE2-CD1 3.28Å; Q329-N623 PolarHBondContact OE1-ND2 2.99Å; Q329-F626 HydrophobicContact CB-CD1 4.27Å; Q329-F626 HydrophobicContact CB-CE1 4.13Å; Q329-F626 HydrophobicContact CB-CZ 4.33Å; Q329-F626 HydrophobicContact CG-CD1 3.67Å; Q329-F626 HydrophobicContact CG-CE1 3.76Å; Q329-F626 HydrophobicContact CG-CG 4.3Å; Q329-F626 HydrophobicContact CG-CZ 4.45Å
330S98.8Very high96.6Very high0 Ų023.7 Ų23.70%014%0.135CC..  trans-73151-170.9-43.70000112.8D308 N309 Y328 A333 I334 F363D308-S330 CarbonylContact O-C 3.57Å; D308-S330 VanDerWaalsContact O-CA 3.28Å; D308-S330 WeakPolarHBondContact O-CA 3.41Å; N309-S330 WeakPolarHBondContact OD1-CB 3.35Å; N309-S330 PolarHBondContact OD1-OG 3.38Å; Y328-S330 WeakPolarHBondContact CB-OG 3.18Å; S330-A333 PolarHBondContact O-N 3.1Å; S330-A333 VanDerWaalsContact O-N 3.07Å; S330-I334 WeakPolarHBondContact O-CG1 3.46Å; S330-I334 PolarHBondContact O-N 2.89Å; S330-F363 WeakPolarHBondContact OG-CD1 3.37Å; S330-F363 WeakPolarHBondContact OG-CG 3.13Å
331L98.9Very high96.9Very high0 Ų023.8 Ų23.80%014%0.135CC..Hα-helixtrans-40.9-54176.2178.961.4000114.1D308 A333 I334 L335 Y407 M530 I533 L534D308-L331 HydrophobicContact CB-CB 4.45Å; D308-L331 WeakPolarHBondContact O-CB 3.49Å; D308-L331 PolarHBondContact O-N 3.27Å; L331-A333 PolarHBondContact O-N 2.96Å; L331-I334 PolarHBondContact O-N 3.08Å; L331-L335 HydrophobicContact CD1-CD1 3.85Å; L331-L335 HydrophobicContact CD1-CG 4.04Å; L331-L335 HydrophobicContact CG-CD1 3.93Å; L331-L335 VanDerWaalsContact O-CG 3.3Å; L331-L335 WeakPolarHBondContact O-CG 3.43Å; L331-L335 PolarHBondContact O-N 2.9Å; L331-Y407 HydrophobicContact CD2-CE2 3.93Å; L331-Y407 HydrophobicContact CG-CE2 4.47Å; L331-M530 HydrophobicContact CB-CG 4.2Å; L331-M530 HydrophobicContact CD1-CG 4.33Å; L331-I533 HydrophobicContact CD1-CB 4.34Å; L331-I533 HydrophobicContact CD1-CG2 4.01Å; L331-I533 HydrophobicContact CD2-CB 4.38Å; L331-I533 HydrophobicContact CD2-CG2 4.21Å; L331-L534 HydrophobicContact CD1-CD2 3.64Å; L331-L534 HydrophobicContact CD1-CG 3.89Å
332P98.8Very high97.3Very high1 Ų126.5 Ų26.51%0.00614%0.142CC..Hα-helixtrans-58.3-44.6179.220.1-33.6000113.5I334 L335 D336 F363 I365 Y407P332-I334 PolarHBondContact O-N 3.05Å; P332-L335 PolarHBondContact O-N 2.72Å; P332-D336 PolarHBondContact O-N 2.86Å; P332-F363 HydrophobicContact CG-CB 4.3Å; P332-F363 WeakPolarHBondContact CG-O 3.47Å; P332-I365 HydrophobicContact CB-CD1 3.62Å; P332-I365 HydrophobicContact CG-CD1 3.56Å; P332-I365 HydrophobicContact CG-CG1 4.38Å; P332-Y407 HydrophobicContact CB-CD1 3.99Å; P332-Y407 HydrophobicContact CB-CE1 4.21Å; P332-Y407 HydrophobicContact CG-CE1 4.5Å
333A98.8Very high97.7Very high1 Ų124.5 Ų24.51%0.00813%0.132CC..Hα-helixtrans-66.2-36.6177.400000112.7S330 L331 Q337 F363 F626 V629S330-A333 PolarHBondContact O-N 3.1Å; S330-A333 VanDerWaalsContact O-N 3.07Å; L331-A333 PolarHBondContact O-N 2.96Å; A333-Q337 WeakPolarHBondContact O-CB 3.26Å; A333-Q337 VanDerWaalsContact O-CG 3.27Å; A333-Q337 WeakPolarHBondContact O-CG 3.4Å; A333-Q337 PolarHBondContact O-N 3.38Å; A333-F363 VanDerWaalsContact CB-O 3.26Å; A333-F363 WeakPolarHBondContact CB-O 3.46Å; A333-F363 PolarHBondContact N-O 3.49Å; A333-F626 HydrophobicContact CB-CE2 3.77Å; A333-F626 HydrophobicContact CB-CZ 3.75Å; A333-V629 HydrophobicContact CB-CG2 3.6Å
334I98.9Very high97.9Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-63.9-45.8175.6-64.6174.6000110Q329 S330 L331 P332 D336 Q337 K338 M530 L534 I539 Y544 F626Q329-I334 WeakPolarHBondContact O-CD1 3.44Å; S330-I334 WeakPolarHBondContact O-CG1 3.46Å; S330-I334 PolarHBondContact O-N 2.89Å; L331-I334 PolarHBondContact O-N 3.08Å; P332-I334 PolarHBondContact O-N 3.05Å; I334-D336 PolarHBondContact O-N 2.9Å; I334-Q337 PolarHBondContact O-N 2.75Å; I334-K338 HydrophobicContact CG2-CG 4.11Å; I334-K338 WeakPolarHBondContact O-CB 3.47Å; I334-K338 WeakPolarHBondContact O-CG 3.46Å; I334-K338 PolarHBondContact O-N 3.15Å; I334-M530 HydrophobicContact CD1-CE 3.31Å; I334-L534 HydrophobicContact CB-CD2 4.21Å; I334-L534 HydrophobicContact CD1-CD1 4.05Å; I334-L534 HydrophobicContact CG2-CD1 4.5Å; I334-L534 HydrophobicContact CG2-CD2 3.57Å; I334-I539 HydrophobicContact CG2-CD1 4.35Å; I334-I539 HydrophobicContact CG2-CG2 4.25Å; I334-Y544 HydrophobicContact CD1-CD1 3.39Å; I334-Y544 HydrophobicContact CD1-CE1 3.34Å; I334-Y544 HydrophobicContact CD1-CE2 4.46Å; I334-Y544 HydrophobicContact CD1-CG 4.01Å; I334-Y544 HydrophobicContact CG1-CD1 4.08Å; I334-Y544 HydrophobicContact CG1-CE1 3.5Å; I334-Y544 HydrophobicContact CG2-CE1 4.27Å; I334-Y544 HydrophobicContact CG2-CE2 4.26Å; I334-F626 HydrophobicContact CG1-CD2 3.87Å; I334-F626 HydrophobicContact CG1-CE2 3.77Å
335L98.9Very high98.3Very high0 Ų023.8 Ų23.80%013%0.128CC..Hα-helixtrans-62.1-42.4178.9-69.1169.1000112.1I249 L331 P332 Q339 G340 Y341 Y407 L534 A537 I539I249-L335 HydrophobicContact CD1-CD1 3.71Å; I249-L335 HydrophobicContact CD1-CD2 3.93Å; L331-L335 HydrophobicContact CD1-CD1 3.85Å; L331-L335 HydrophobicContact CD1-CG 4.04Å; L331-L335 HydrophobicContact CG-CD1 3.93Å; L331-L335 VanDerWaalsContact O-CG 3.3Å; L331-L335 WeakPolarHBondContact O-CG 3.43Å; L331-L335 PolarHBondContact O-N 2.9Å; P332-L335 PolarHBondContact O-N 2.72Å; L335-Q339 CarbonylContact O-C 3.38Å; L335-Q339 WeakPolarHBondContact O-CA 3.17Å; L335-Q339 PolarHBondContact O-N 3.19Å; L335-G340 PolarHBondContact O-N 3.25Å; L335-G340 VanDerWaalsContact O-N 3.16Å; L335-Y341 HydrophobicContact CB-CD1 4.28Å; L335-Y341 HydrophobicContact CB-CD2 4.12Å; L335-Y341 HydrophobicContact CB-CG 3.83Å; L335-Y341 HydrophobicContact CD1-CD1 4.42Å; L335-Y341 HydrophobicContact CD2-CE2 4.48Å; L335-Y341 PolarHBondContact O-N 2.86Å; L335-Y407 HydrophobicContact CD1-CD2 3.92Å; L335-Y407 HydrophobicContact CD1-CG 4.25Å; L335-L534 HydrophobicContact CD2-CD2 4.44Å; L335-A537 HydrophobicContact CD2-CB 4.21Å; L335-I539 HydrophobicContact CD2-CD1 3.92Å
336D98.6Very high98.6Very high38 Ų3819 Ų1920%0.20310%0.102CC..Hα-helixtrans-62.1-49.8174.1-177.946.4000111.1P332 I334 K338 G340 Y341 K342P332-D336 PolarHBondContact O-N 2.86Å; I334-D336 PolarHBondContact O-N 2.9Å; D336-K338 PolarHBondContact O-N 3.13Å; D336-G340 WeakPolarHBondContact O-CA 3.38Å; D336-G340 PolarHBondContact O-N 3.35Å; D336-Y341 WeakPolarHBondContact CA-O 3.23Å; D336-Y341 WeakPolarHBondContact CB-O 3.38Å; D336-Y341 VanDerWaalsContact OD1-O 3.1Å; D336-K342 IonicContact OD1-NZ 3.28Å; D336-K342 PolarHBondContact OD1-NZ 3.12Å; D336-K342 IonicContact OD2-NZ 2.68Å
337Q98.5Very high98.6Very high74 Ų7419 Ų1935%0.34610%0.102SC..Hα-helixtrans-69.9-37.7-175.5-69.7-179.239.500113.8A333 I334 F626 K627A333-Q337 WeakPolarHBondContact O-CB 3.26Å; A333-Q337 VanDerWaalsContact O-CG 3.27Å; A333-Q337 WeakPolarHBondContact O-CG 3.4Å; A333-Q337 PolarHBondContact O-N 3.38Å; I334-Q337 PolarHBondContact O-N 2.75Å; Q337-F626 VanDerWaalsContact NE2-CE2 3.3Å; Q337-K627 PolarHBondContact NE2-O 2.69Å; Q337-K627 PolarHBondContact OE1-O 2.93Å
338K98.3Very high98.5Very high78 Ų7817.5 Ų17.534%0.3399%0.093SC..Hα-helixtrans-84.3-34.9-178.5-66.7-54.2-161.5-171.80112.7I334 D336 I539 Y544 D625I334-K338 HydrophobicContact CG2-CG 4.11Å; I334-K338 WeakPolarHBondContact O-CB 3.47Å; I334-K338 WeakPolarHBondContact O-CG 3.46Å; I334-K338 PolarHBondContact O-N 3.15Å; D336-K338 PolarHBondContact O-N 3.13Å; K338-I539 HydrophobicContact CB-CD1 3.92Å; K338-I539 HydrophobicContact CB-CG1 4.27Å; K338-I539 HydrophobicContact CG-CD1 4.39Å; K338-I539 HydrophobicContact CG-CG2 4.14Å; K338-Y544 VanDerWaalsContact CE-OH 3.25Å; K338-Y544 WeakPolarHBondContact CE-OH 3.42Å; K338-D625 WeakPolarHBondContact CE-O 3.38Å; K338-D625 VanDerWaalsContact NZ-CA 3.34Å; K338-D625 PolarHBondContact NZ-O 3.38Å; K338-D625 IonicContact NZ-OD1 3.35Å; K338-D625 PolarHBondContact NZ-OD1 3.49Å
339Q98.1Very high98.2Very high15 Ų1517.7 Ų17.77%0.079%0.094CC..Hα-helixtrans-138.49.6-168.8-60.9-164.47.600114.5K246 L335 Y341 A537 I539K246-Q339 HydrophobicContact CD-CB 4.29Å; K246-Q339 PolarHBondContact NZ-O 2.66Å; L335-Q339 CarbonylContact O-C 3.38Å; L335-Q339 WeakPolarHBondContact O-CA 3.17Å; L335-Q339 PolarHBondContact O-N 3.19Å; Q339-Y341 VanDerWaalsContact C-N 3.3Å; Q339-Y341 HydrophobicContact CB-CD2 3.7Å; Q339-Y341 HydrophobicContact CB-CE2 3.59Å; Q339-Y341 PolarHBondContact O-N 3.47Å; Q339-A537 PolarHBondContact NE2-O 2.95Å; Q339-I539 HydrophobicContact CG-CD1 4.27Å; Q339-I539 HydrophobicContact CG-CG1 4.43Å
340G98.2Very high97.8Very high45 Ų4520.7 Ų20.746%0.46411%0.106SC..  trans67.426.4171.300000114.5L335 D336L335-G340 PolarHBondContact O-N 3.25Å; L335-G340 VanDerWaalsContact O-N 3.16Å; D336-G340 WeakPolarHBondContact O-CA 3.38Å; D336-G340 PolarHBondContact O-N 3.35Å
341Y98.7Very high97.4Very high1 Ų122.3 Ų22.30%0.00411%0.113CC..  trans-64.7139.9174.9-79.4-122000110.5K246 K247 I249 L335 D336 Q339 P405K246-Y341 VanDerWaalsContact CA-OH 3.31Å; K246-Y341 WeakPolarHBondContact CA-OH 3.32Å; K246-Y341 PolarHBondContact N-OH 3.18Å; K247-Y341 PolarHBondContact N-OH 2.78Å; K247-Y341 WeakPolarHBondContact O-CE1 3.29Å; K247-Y341 VanDerWaalsContact O-CZ 3.23Å; K247-Y341 PolarHBondContact O-OH 3.11Å; I249-Y341 HydrophobicContact CD1-CD1 4.4Å; I249-Y341 HydrophobicContact CD1-CE1 3.69Å; I249-Y341 HydrophobicContact CG1-CE1 4.06Å; L335-Y341 HydrophobicContact CB-CD1 4.28Å; L335-Y341 HydrophobicContact CB-CD2 4.12Å; L335-Y341 HydrophobicContact CB-CG 3.83Å; L335-Y341 HydrophobicContact CD1-CD1 4.42Å; L335-Y341 HydrophobicContact CD2-CE2 4.48Å; L335-Y341 PolarHBondContact O-N 2.86Å; D336-Y341 WeakPolarHBondContact CA-O 3.23Å; D336-Y341 WeakPolarHBondContact CB-O 3.38Å; D336-Y341 VanDerWaalsContact OD1-O 3.1Å; Q339-Y341 VanDerWaalsContact C-N 3.3Å; Q339-Y341 HydrophobicContact CB-CD2 3.7Å; Q339-Y341 HydrophobicContact CB-CE2 3.59Å; Q339-Y341 PolarHBondContact O-N 3.47Å; Y341-P405 WeakPolarHBondContact CA-O 3.45Å; Y341-P405 HydrophobicContact CD1-CB 4.01Å; Y341-P405 HydrophobicContact CD2-CB 4Å; Y341-P405 HydrophobicContact CD2-CG 3.79Å; Y341-P405 HydrophobicContact CE1-CB 3.73Å; Y341-P405 HydrophobicContact CE2-CB 3.72Å; Y341-P405 HydrophobicContact CE2-CG 3.77Å; Y341-P405 HydrophobicContact CG-CB 4.12Å; Y341-P405 HydrophobicContact CG-CG 4.2Å
342K98.4Very high96.8Very high95 Ų9526.5 Ų26.541%0.41314%0.138SC..EExtended strand (participates in β ladder)trans-97137.4163.7-65.4-49.2-178.6-165.70111.3D336 D366 P405 F406 Y407D336-K342 IonicContact OD1-NZ 3.28Å; D336-K342 PolarHBondContact OD1-NZ 3.12Å; D336-K342 IonicContact OD2-NZ 2.68Å; K342-D366 WeakPolarHBondContact CA-OD2 3.45Å; K342-D366 WeakPolarHBondContact CD-OD2 3.43Å; K342-D366 IonicContact NZ-OD1 2.79Å; K342-D366 PolarHBondContact NZ-OD1 3.24Å; K342-P405 PolarHBondContact N-O 3.41Å; K342-F406 CarbonylContact O-C 3.58Å; K342-F406 WeakPolarHBondContact O-CA 3.5Å; K342-F406 WeakPolarHBondContact O-CB 3.43Å; K342-Y407 PolarHBondContact O-N 2.76Å
343S98.8Very high96.2Very high2 Ų227.3 Ų27.31%0.01414%0.142CC..EExtended strand (participates in β ladder)trans-114.4135.2-168.455.80000112G364 I365 D366 K367 Y407S343-G364 PolarHBondContact OG-O 3.21Å; S343-I365 VanDerWaalsContact OG-CA 3.31Å; S343-I365 WeakPolarHBondContact OG-CA 3.5Å; S343-D366 PolarHBondContact N-OD2 3.32Å; S343-D366 WeakPolarHBondContact O-CB 3.33Å; S343-D366 PolarHBondContact O-N 2.7Å; S343-D366 PolarHBondContact OG-N 3.33Å; S343-D366 PolarHBondContact OG-OD2 3.12Å; S343-K367 PolarHBondContact O-N 3Å; S343-K367 VanDerWaalsContact O-N 3.08Å; S343-Y407 CarbonylContact C-O 3.51Å; S343-Y407 WeakPolarHBondContact CA-O 3.34Å
344D98.7Very high95.7Very high1 Ų128 Ų281%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-133.7156.216571.124.2000113.8M346 K367 Y369 M402 Y407 S408 H409D344-M346 WeakPolarHBondContact OD2-CE 3.15Å; D344-K367 CarbonylContact C-O 3.59Å; D344-K367 WeakPolarHBondContact CA-O 3.4Å; D344-K367 HydrophobicContact CB-CB 4.06Å; D344-K367 WeakPolarHBondContact CB-O 3.17Å; D344-Y369 HydrophobicContact CB-CD2 4.26Å; D344-Y369 HydrophobicContact CB-CE2 3.99Å; D344-Y369 WeakPolarHBondContact OD2-CE2 3.49Å; D344-M402 HydrophobicContact CB-CE 4.08Å; D344-M402 WeakPolarHBondContact OD2-CE 3.33Å; D344-Y407 PolarHBondContact N-O 2.64Å; D344-S408 WeakPolarHBondContact O-CA 3.13Å; D344-S408 VanDerWaalsContact OD1-CA 3.31Å; D344-S408 WeakPolarHBondContact OD1-CA 3.35Å; D344-S408 WeakPolarHBondContact OD1-CB 3.42Å; D344-S408 PolarHBondContact OD1-OG 3.02Å; D344-H409 PolarHBondContact O-N 3.31Å
345V98.8Very high95.3Very high0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-118.8141.2165.7179.20000108.1Y360 I365 K367 F368 Y369 H409 I411V345-Y360 HydrophobicContact CB-CD2 4.39Å; V345-Y360 HydrophobicContact CB-CE2 3.85Å; V345-Y360 HydrophobicContact CG1-CE2 3.68Å; V345-Y360 HydrophobicContact CG2-CD2 4.25Å; V345-Y360 HydrophobicContact CG2-CE1 4.43Å; V345-Y360 HydrophobicContact CG2-CE2 3.87Å; V345-I365 HydrophobicContact CB-CG2 4.42Å; V345-I365 HydrophobicContact CG2-CD1 3.9Å; V345-I365 HydrophobicContact CG2-CG1 4.06Å; V345-I365 HydrophobicContact CG2-CG2 3.85Å; V345-K367 PolarHBondContact N-O 3.05Å; V345-F368 HydrophobicContact CB-CD2 4.01Å; V345-F368 HydrophobicContact CB-CE2 4.45Å; V345-F368 HydrophobicContact CG1-CD2 4.06Å; V345-F368 HydrophobicContact CG1-CE2 4Å; V345-F368 CarbonylContact O-C 3.4Å; V345-F368 WeakPolarHBondContact O-CA 3.34Å; V345-F368 WeakPolarHBondContact O-CD2 3.49Å; V345-Y369 PolarHBondContact O-N 2.95Å; V345-H409 CarbonylContact C-O 3.07Å; V345-H409 VanDerWaalsContact CA-O 3.27Å; V345-H409 WeakPolarHBondContact CA-O 3.26Å; V345-H409 HydrophobicContact CG2-CB 4.16Å; V345-I411 HydrophobicContact CG1-CD1 3.91Å
346M98.8Very high95Very high0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-128.4127.6178-56.1-165.2-170.300109D344 Y369 F391 S395 Q399 H409 L410 I411D344-M346 WeakPolarHBondContact OD2-CE 3.15Å; M346-Y369 WeakPolarHBondContact CA-O 3.43Å; M346-Y369 HydrophobicContact CE-CD2 3.96Å; M346-Y369 HydrophobicContact CE-CE2 3.84Å; M346-Y369 HydrophobicContact CG-CD2 3.78Å; M346-Y369 HydrophobicContact CG-CG 4.27Å; M346-Y369 HydrophobicContact SD-CD2 4.32Å; M346-F391 HydrophobicContact CB-CE2 3.9Å; M346-F391 HydrophobicContact CB-CZ 3.96Å; M346-F391 VanDerWaalsContact O-CZ 3.27Å; M346-F391 WeakPolarHBondContact O-CZ 3.33Å; M346-S395 VanDerWaalsContact SD-CA 3.58Å; M346-S395 WeakPolarHBondContact SD-CB 3.49Å; M346-Q399 HydrophobicContact CE-CB 3.99Å; M346-H409 PolarHBondContact N-O 2.94Å; M346-L410 HydrophobicContact CB-CG 4.26Å; M346-L410 WeakPolarHBondContact O-CA 3.43Å; M346-L410 HydrophobicContact SD-CD2 4.44Å; M346-I411 PolarHBondContact O-N 2.9Å
347H98.1Very high94.7Very high1 Ų129.6 Ų29.61%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-149.5138179.5-168.537.5000111.1D349 R356 F368 Y369 D370 A371 I411 L413H347-D349 PolarHBondContact O-N 2.9Å; H347-D349 VanDerWaalsContact O-N 3.13Å; H347-R356 PolarHBondContact CD2-NH1 3.16Å; H347-R356 PolarHBondContact NE2-NH1 2.78Å; H347-F368 HydrophobicContact CB-CE2 3.97Å; H347-F368 HydrophobicContact CB-CZ 4.46Å; H347-Y369 PolarHBondContact N-O 3.28Å; H347-D370 CarbonylContact O-C 3.57Å; H347-D370 WeakPolarHBondContact O-CA 3.4Å; H347-A371 PolarHBondContact O-N 3.28Å; H347-I411 HydrophobicContact CB-CB 4.32Å; H347-I411 VanDerWaalsContact CE1-CG2 3.42Å; H347-I411 WeakPolarHBondContact CE1-CG2 3.35Å; H347-I411 WeakPolarHBondContact ND1-CB 3.39Å; H347-I411 WeakPolarHBondContact ND1-CG2 3.47Å; H347-I411 PolarHBondContact ND1-O 2.93Å; H347-L413 WeakPolarHBondContact CE1-CD2 3.5Å; H347-L413 WeakPolarHBondContact CE1-CG 3.22Å
348G95.9Very high94.4Very high1 Ų129.6 Ų29.61%0.0115%0.153CC..SBendtrans-77.219.3178.600000115.4L386 L413G348-L386 PolarHBondContact O-N 3.34Å; G348-L413 WeakPolarHBondContact O-CD1 3.36Å
349D93.2Very high94.3Very high7 Ų725.9 Ų25.94%0.03714%0.137CC..SBendtrans-132.3164.8178.8-171.222.6000110.4H347 F353 D370 A371 L413H347-D349 PolarHBondContact O-N 2.9Å; H347-D349 VanDerWaalsContact O-N 3.13Å; D349-F353 WeakPolarHBondContact OD2-CB 3.3Å; D349-F353 WeakPolarHBondContact OD2-CD1 3.32Å; D349-F353 WeakPolarHBondContact OD2-CG 3.09Å; D349-D370 WeakPolarHBondContact O-CB 3.32Å; D349-A371 VanDerWaalsContact C-CB 3.47Å; D349-A371 PolarHBondContact O-N 3.28Å; D349-L413 HydrophobicContact CB-CD1 3.62Å
350Y90.6Very high94.3Very high75 Ų7525.2 Ų25.229%0.29413%0.133SC..  trans-69.1139.8-176.1-68-83.3000112.2T352 F353 A371 T372Y350-T352 PolarHBondContact O-N 2.59Å; Y350-F353 WeakPolarHBondContact O-CB 3.19Å; Y350-F353 PolarHBondContact O-N 3.31Å; Y350-A371 HydrophobicContact CD1-CB 3.81Å; Y350-A371 HydrophobicContact CD2-CB 4.02Å; Y350-A371 HydrophobicContact CE1-CB 3.92Å; Y350-A371 HydrophobicContact CE2-CB 4.13Å; Y350-A371 HydrophobicContact CG-CB 3.88Å; Y350-T372 HydrophobicContact CD1-CG2 4.16Å; Y350-T372 HydrophobicContact CE1-CG2 4.09Å
351K90.2Very high94.3Very high34 Ų3424.8 Ų24.815%0.14812%0.119CC..THydrogen-bonded Turntrans-58.9-21.5-173.262.3-171.3171.5-161.30116.3F353 R356 D357 F368 D370 Y636K351-F353 VanDerWaalsContact C-N 3.3Å; K351-R356 WeakPolarHBondContact O-CB 3.43Å; K351-R356 PolarHBondContact O-N 3.04Å; K351-D357 HydrophobicContact CB-CB 3.99Å; K351-D357 HydrophobicContact CD-CB 4.1Å; K351-D357 HydrophobicContact CG-CB 3.87Å; K351-D357 PolarHBondContact O-N 2.87Å; K351-F368 VanDerWaalsContact CA-CE1 3.41Å; K351-F368 HydrophobicContact CB-CD1 3.66Å; K351-F368 HydrophobicContact CB-CE1 3.26Å; K351-F368 HydrophobicContact CB-CZ 4.04Å; K351-D370 HydrophobicContact CB-CB 3.72Å; K351-D370 WeakPolarHBondContact CB-OD2 3.4Å; K351-D370 VanDerWaalsContact CG-OD2 3.29Å; K351-D370 WeakPolarHBondContact CG-OD2 3.26Å; K351-D370 PolarHBondContact N-OD2 3.31Å; K351-Y636 PolarHBondContact NZ-O 2.8Å
352T86.2Confident94.3Very high88 Ų8826.2 Ų26.254%0.5413%0.125SC..THydrogen-bonded Turntrans-77.5-19.8-179.451.80000112.3Y350 W354 N355Y350-T352 PolarHBondContact O-N 2.59Å; T352-W354 PolarHBondContact O-N 3.12Å; T352-N355 PolarHBondContact O-N 2.99Å
353F85.9Confident94.3Very high17 Ų1721.7 Ų21.78%0.07511%0.106CC..G310 helixtrans-63.9133.7176.5-169.2-114.9000110N108 S111 D349 Y350 K351 N355 R356 L384N108-F353 HydrophobicContact CB-CE2 3.92Å; S111-F353 WeakPolarHBondContact OG-CD2 3.28Å; D349-F353 WeakPolarHBondContact OD2-CB 3.3Å; D349-F353 WeakPolarHBondContact OD2-CD1 3.32Å; D349-F353 WeakPolarHBondContact OD2-CG 3.09Å; Y350-F353 WeakPolarHBondContact O-CB 3.19Å; Y350-F353 PolarHBondContact O-N 3.31Å; K351-F353 VanDerWaalsContact C-N 3.3Å; F353-N355 PolarHBondContact O-N 3.44Å; F353-R356 WeakPolarHBondContact O-CG 3.49Å; F353-R356 PolarHBondContact O-N 3.25Å; F353-L384 HydrophobicContact CE1-CD2 4.31Å
354W87.5Confident94.3Very high15 Ų1521.6 Ų21.66%0.05711%0.105CC..G310 helixtrans56.417.3-167.4-68.8121.4000115.6N108 G298 F320 T352 R356N108-W354 WeakPolarHBondContact ND2-CZ3 3.48Å; N108-W354 PolarHBondContact OD1-N 3.06Å; N108-W354 VanDerWaalsContact OD1-N 3.11Å; G298-W354 WeakPolarHBondContact O-CZ2 3.42Å; F320-W354 VanDerWaalsContact CB-O 3.26Å; F320-W354 WeakPolarHBondContact CB-O 3.42Å; F320-W354 HydrophobicContact CD1-CB 4.2Å; T352-W354 PolarHBondContact O-N 3.12Å; W354-R356 HydrophobicContact CB-CG 4.29Å; W354-R356 PolarHBondContact O-N 3.35Å
355N90.2Very high94.3Very high47 Ų4721.5 Ų21.525%0.25111%0.105SC..G310 helixtrans6126-179-171.247.4000113.6F320 T352 F353 D357 Q358 V359F320-N355 PolarHBondContact O-ND2 3.37Å; T352-N355 PolarHBondContact O-N 2.99Å; F353-N355 PolarHBondContact O-N 3.44Å; N355-D357 VanDerWaalsContact C-N 3.28Å; N355-D357 PolarHBondContact O-N 3.21Å; N355-Q358 PolarHBondContact O-N 2.94Å; N355-Q358 VanDerWaalsContact O-N 3.12Å; N355-Q358 WeakPolarHBondContact OD1-CB 3.29Å; N355-Q358 WeakPolarHBondContact OD1-CG 3.41Å; N355-V359 WeakPolarHBondContact O-CG2 3.37Å; N355-V359 PolarHBondContact O-N 3.49Å
356R93.6Very high94.3Very high0 Ų024.1 Ų24.10%012%0.119CC..Hα-helixtrans-60.8-35.4-176.5-76.4175.8-178.5123.5-10112.9E304 F320 H347 K351 F353 W354 Q358 V359 Y360 F368E304-R356 IonicContact OE1-CZ 3.9Å; E304-R356 IonicContact OE1-NE 3.89Å; E304-R356 PolarHBondContact OE1-NE 3.05Å; E304-R356 IonicContact OE1-NH2 3.55Å; E304-R356 PolarHBondContact OE1-NH2 2.8Å; E304-R356 IonicContact OE2-NE 3.1Å; F320-R356 HydrophobicContact CD1-CG 4.07Å; F320-R356 HydrophobicContact CE1-CG 3.94Å; H347-R356 PolarHBondContact CD2-NH1 3.16Å; H347-R356 PolarHBondContact NE2-NH1 2.78Å; K351-R356 WeakPolarHBondContact O-CB 3.43Å; K351-R356 PolarHBondContact O-N 3.04Å; F353-R356 WeakPolarHBondContact O-CG 3.49Å; F353-R356 PolarHBondContact O-N 3.25Å; W354-R356 HydrophobicContact CB-CG 4.29Å; W354-R356 PolarHBondContact O-N 3.35Å; R356-Q358 PolarHBondContact O-N 2.86Å; R356-Q358 VanDerWaalsContact O-N 3.14Å; R356-V359 PolarHBondContact O-N 3.06Å; R356-Y360 HydrophobicContact CB-CD2 3.94Å; R356-Y360 HydrophobicContact CB-CE1 4.48Å; R356-Y360 HydrophobicContact CB-CE2 3.63Å; R356-Y360 HydrophobicContact CB-CG 4.48Å; R356-Y360 WeakPolarHBondContact CD-OH 3.47Å; R356-Y360 HydrophobicContact CG-CE1 4.19Å; R356-Y360 HydrophobicContact CG-CE2 3.89Å; R356-Y360 PolarHBondContact NE-OH 3.15Å; R356-Y360 VanDerWaalsContact O-CB 3.25Å; R356-Y360 WeakPolarHBondContact O-CB 3.19Å; R356-Y360 WeakPolarHBondContact O-CD2 3.4Å; R356-Y360 VanDerWaalsContact O-CG 3.29Å; R356-Y360 PolarHBondContact O-N 3.12Å; R356-F368 HydrophobicContact CB-CE1 3.69Å; R356-F368 HydrophobicContact CB-CZ 4.17Å
357D91.8Very high94.3Very high26 Ų2628 Ų2814%0.13914%0.136CC..Hα-helixtrans-61.9-19.5177.672.1-52.7000114.1K351 N355 K361 Y636K351-D357 HydrophobicContact CB-CB 3.99Å; K351-D357 HydrophobicContact CD-CB 4.1Å; K351-D357 HydrophobicContact CG-CB 3.87Å; K351-D357 PolarHBondContact O-N 2.87Å; N355-D357 VanDerWaalsContact C-N 3.28Å; N355-D357 PolarHBondContact O-N 3.21Å; D357-K361 WeakPolarHBondContact O-CE 3.43Å; D357-K361 PolarHBondContact O-NZ 3.16Å; D357-K361 VanDerWaalsContact O-NZ 3.16Å; D357-Y636 HydrophobicContact CB-CD2 4.35Å; D357-Y636 WeakPolarHBondContact O-CD2 3.21Å; D357-Y636 WeakPolarHBondContact O-CE2 3.37Å
358Q91.9Very high94.3Very high73 Ų7328 Ų2834%0.34114%0.136SC..Hα-helixtrans-99.2-47.8172.9-54.5-54.5-38.900111.9N355 R356 Y360 K361 H362N355-Q358 PolarHBondContact O-N 2.94Å; N355-Q358 VanDerWaalsContact O-N 3.12Å; N355-Q358 WeakPolarHBondContact OD1-CB 3.29Å; N355-Q358 WeakPolarHBondContact OD1-CG 3.41Å; R356-Q358 PolarHBondContact O-N 2.86Å; R356-Q358 VanDerWaalsContact O-N 3.14Å; Q358-Y360 PolarHBondContact O-N 2.84Å; Q358-K361 WeakPolarHBondContact O-CB 3.48Å; Q358-K361 PolarHBondContact O-N 3.09Å; Q358-H362 PolarHBondContact O-ND1 2.98Å
359V97.2Very high94.4Very high0 Ų028.7 Ų28.70%014%0.138CC..Hα-helixtrans-62.8-44.1-175178.10000111.7F320 N355 R356 K361 H362 F363F320-V359 HydrophobicContact CB-CG2 3.8Å; F320-V359 HydrophobicContact CD1-CB 4.44Å; F320-V359 HydrophobicContact CD1-CG1 4.38Å; F320-V359 HydrophobicContact CD1-CG2 4.31Å; F320-V359 HydrophobicContact CD2-CG1 3.77Å; F320-V359 HydrophobicContact CD2-CG2 4.35Å; F320-V359 HydrophobicContact CE1-CG1 4.46Å; F320-V359 HydrophobicContact CE2-CG1 3.82Å; F320-V359 HydrophobicContact CG-CB 4.33Å; F320-V359 HydrophobicContact CG-CG1 4.06Å; F320-V359 HydrophobicContact CG-CG2 3.92Å; F320-V359 HydrophobicContact CZ-CG1 4.18Å; F320-V359 WeakPolarHBondContact O-CG2 3.36Å; N355-V359 WeakPolarHBondContact O-CG2 3.37Å; N355-V359 PolarHBondContact O-N 3.49Å; R356-V359 PolarHBondContact O-N 3.06Å; V359-K361 PolarHBondContact O-N 3.19Å; V359-K361 VanDerWaalsContact O-N 3.12Å; V359-H362 WeakPolarHBondContact O-CA 3.02Å; V359-H362 WeakPolarHBondContact O-CB 3.26Å; V359-H362 PolarHBondContact O-N 3.19Å; V359-F363 HydrophobicContact CG1-CD1 4.13Å; V359-F363 HydrophobicContact CG1-CD2 4.4Å; V359-F363 HydrophobicContact CG1-CE1 3.7Å; V359-F363 HydrophobicContact CG1-CE2 4Å; V359-F363 HydrophobicContact CG1-CG 4.47Å; V359-F363 HydrophobicContact CG1-CZ 3.62Å; V359-F363 PolarHBondContact O-N 2.8Å; V359-F363 VanDerWaalsContact O-N 3.1Å
360Y98.5Very high94.6Very high1 Ų128.4 Ų28.40%0.00414%0.137CC..Hα-helixtrans-62.6-25-177.4-71.4-16.8000113.4E304 F320 V345 R356 Q358 H362 F363 G364 I365 F368 Y636E304-Y360 PolarHBondContact OE2-OH 2.97Å; F320-Y360 AromaticContact CE1-CE1 3.98Å; F320-Y360 HydrophobicContact CE1-CE1 3.98Å; F320-Y360 HydrophobicContact CZ-CE1 4.11Å; V345-Y360 HydrophobicContact CB-CD2 4.39Å; V345-Y360 HydrophobicContact CB-CE2 3.85Å; V345-Y360 HydrophobicContact CG1-CE2 3.68Å; V345-Y360 HydrophobicContact CG2-CD2 4.25Å; V345-Y360 HydrophobicContact CG2-CE1 4.43Å; V345-Y360 HydrophobicContact CG2-CE2 3.87Å; R356-Y360 HydrophobicContact CB-CD2 3.94Å; R356-Y360 HydrophobicContact CB-CE1 4.48Å; R356-Y360 HydrophobicContact CB-CE2 3.63Å; R356-Y360 HydrophobicContact CB-CG 4.48Å; R356-Y360 WeakPolarHBondContact CD-OH 3.47Å; R356-Y360 HydrophobicContact CG-CE1 4.19Å; R356-Y360 HydrophobicContact CG-CE2 3.89Å; R356-Y360 PolarHBondContact NE-OH 3.15Å; R356-Y360 VanDerWaalsContact O-CB 3.25Å; R356-Y360 WeakPolarHBondContact O-CB 3.19Å; R356-Y360 WeakPolarHBondContact O-CD2 3.4Å; R356-Y360 VanDerWaalsContact O-CG 3.29Å; R356-Y360 PolarHBondContact O-N 3.12Å; Q358-Y360 PolarHBondContact O-N 2.84Å; Y360-H362 VanDerWaalsContact C-N 3.25Å; Y360-H362 PolarHBondContact O-N 3.05Å; Y360-F363 HydrophobicContact CD1-CD2 4.16Å; Y360-F363 PolarHBondContact O-N 2.86Å; Y360-G364 PolarHBondContact O-N 3.33Å; Y360-I365 HydrophobicContact CD1-CG1 4.3Å; Y360-I365 HydrophobicContact CG-CB 4.5Å; Y360-I365 HydrophobicContact CG-CG1 4.15Å; Y360-I365 PolarHBondContact O-N 2.92Å; Y360-F368 AromaticContact CD2-CD1 3.75Å; Y360-F368 HydrophobicContact CD2-CD1 3.75Å; Y360-F368 AromaticContact CD2-CE1 3.97Å; Y360-F368 HydrophobicContact CD2-CE1 3.97Å; Y360-F368 HydrophobicContact CD2-CG 4.05Å; Y360-F368 HydrophobicContact CD2-CZ 4.5Å; Y360-F368 AromaticContact CE2-CD1 3.95Å; Y360-F368 HydrophobicContact CE2-CD1 3.95Å; Y360-F368 HydrophobicContact CE2-CD2 4.2Å; Y360-F368 AromaticContact CE2-CE1 3.78Å; Y360-F368 HydrophobicContact CE2-CE1 3.78Å; Y360-F368 HydrophobicContact CE2-CE2 4.09Å; Y360-F368 HydrophobicContact CE2-CG 4.17Å; Y360-F368 AromaticContact CE2-CZ 3.88Å; Y360-F368 HydrophobicContact CE2-CZ 3.88Å; Y360-Y636 VanDerWaalsContact CB-OH 3.26Å; Y360-Y636 WeakPolarHBondContact CB-OH 3.44Å; Y360-Y636 PolarHBondContact O-OH 2.95Å
361K98.3Very high94.8Very high37 Ų3724.9 Ų24.916%0.16112%0.123CC..Hα-helixtrans-65.4-31.9172.4-56.5-179.4-179.5140.70112D357 Q358 V359 V629 P631 Y634 Y636D357-K361 WeakPolarHBondContact O-CE 3.43Å; D357-K361 PolarHBondContact O-NZ 3.16Å; D357-K361 VanDerWaalsContact O-NZ 3.16Å; Q358-K361 WeakPolarHBondContact O-CB 3.48Å; Q358-K361 PolarHBondContact O-N 3.09Å; V359-K361 PolarHBondContact O-N 3.19Å; V359-K361 VanDerWaalsContact O-N 3.12Å; K361-V629 WeakPolarHBondContact O-CG1 3.37Å; K361-P631 HydrophobicContact CB-CB 3.91Å; K361-Y634 HydrophobicContact CB-CG 4.47Å; K361-Y634 WeakPolarHBondContact CD-O 3.25Å; K361-Y634 WeakPolarHBondContact CE-O 3.1Å; K361-Y634 WeakPolarHBondContact O-CD2 3.44Å; K361-Y636 HydrophobicContact CG-CD2 4.41Å; K361-Y636 HydrophobicContact CG-CE2 3.66Å; K361-Y636 PolarHBondContact N-OH 2.67Å
362H98.5Very high95.1Very high30 Ų3023.8 Ų23.814%0.13912%0.119CC..Hα-helixtrans-82.7-27.8178-59.676.5000111.7G324 N326 Y328 Q358 V359 Y360 G364 P631G324-H362 PolarHBondContact O-CE1 2.89Å; G324-H362 PolarHBondContact O-ND1 2.77Å; G324-H362 VanDerWaalsContact O-ND1 3.14Å; N326-H362 PolarHBondContact O-CD2 3.49Å; N326-H362 VanDerWaalsContact O-CD2 3.28Å; Y328-H362 HydrophobicContact CD2-CB 3.9Å; Y328-H362 HydrophobicContact CE2-CB 4.45Å; Q358-H362 PolarHBondContact O-ND1 2.98Å; V359-H362 WeakPolarHBondContact O-CA 3.02Å; V359-H362 WeakPolarHBondContact O-CB 3.26Å; V359-H362 PolarHBondContact O-N 3.19Å; Y360-H362 VanDerWaalsContact C-N 3.25Å; Y360-H362 PolarHBondContact O-N 3.05Å; H362-G364 VanDerWaalsContact C-N 3.26Å; H362-P631 WeakPolarHBondContact CD2-CG 3.27Å; H362-P631 VanDerWaalsContact NE2-CG 3.34Å; H362-P631 WeakPolarHBondContact NE2-CG 3.38Å
363F98.7Very high95.7Very high0 Ų020.9 Ų20.90%010%0.098CC..Hα-helixtrans-75.3-17.7170.7-69.54.5000112.8F305 N309 F320 Y328 S330 P332 A333 V359 Y360 I365F305-F363 AromaticContact CD2-CZ 3.9Å; F305-F363 HydrophobicContact CD2-CZ 3.9Å; F305-F363 HydrophobicContact CE2-CZ 4.45Å; N309-F363 WeakPolarHBondContact ND2-CZ 3.44Å; F320-F363 HydrophobicContact CD2-CZ 4.45Å; F320-F363 AromaticContact CE2-CE2 3.7Å; F320-F363 HydrophobicContact CE2-CE2 3.7Å; F320-F363 AromaticContact CE2-CZ 3.62Å; F320-F363 HydrophobicContact CE2-CZ 3.62Å; F320-F363 AromaticContact CZ-CE2 3.83Å; F320-F363 HydrophobicContact CZ-CE2 3.83Å; F320-F363 HydrophobicContact CZ-CZ 4.22Å; Y328-F363 HydrophobicContact CD1-CE1 4.19Å; Y328-F363 AromaticContact CD2-CD1 3.83Å; Y328-F363 HydrophobicContact CD2-CD1 3.83Å; Y328-F363 AromaticContact CD2-CE1 3.62Å; Y328-F363 HydrophobicContact CD2-CE1 3.62Å; Y328-F363 HydrophobicContact CE1-CE1 4.46Å; Y328-F363 HydrophobicContact CE2-CD1 4.46Å; Y328-F363 AromaticContact CE2-CE1 3.89Å; Y328-F363 HydrophobicContact CE2-CE1 3.89Å; Y328-F363 HydrophobicContact CG-CD1 4.01Å; Y328-F363 AromaticContact CG-CE1 3.76Å; Y328-F363 HydrophobicContact CG-CE1 3.76Å; S330-F363 WeakPolarHBondContact OG-CD1 3.37Å; S330-F363 WeakPolarHBondContact OG-CG 3.13Å; P332-F363 HydrophobicContact CG-CB 4.3Å; P332-F363 WeakPolarHBondContact CG-O 3.47Å; A333-F363 VanDerWaalsContact CB-O 3.26Å; A333-F363 WeakPolarHBondContact CB-O 3.46Å; A333-F363 PolarHBondContact N-O 3.49Å; V359-F363 HydrophobicContact CG1-CD1 4.13Å; V359-F363 HydrophobicContact CG1-CD2 4.4Å; V359-F363 HydrophobicContact CG1-CE1 3.7Å; V359-F363 HydrophobicContact CG1-CE2 4Å; V359-F363 HydrophobicContact CG1-CG 4.47Å; V359-F363 HydrophobicContact CG1-CZ 3.62Å; V359-F363 PolarHBondContact O-N 2.8Å; V359-F363 VanDerWaalsContact O-N 3.1Å; Y360-F363 HydrophobicContact CD1-CD2 4.16Å; Y360-F363 PolarHBondContact O-N 2.86Å; F363-I365 HydrophobicContact CB-CG1 4.28Å
364G98.5Very high96.2Very high0 Ų020.1 Ų20.10%010%0.095CC..THydrogen-bonded Turntrans82.328.9-179.600000114.1S343 Y360 H362 D366 Y634S343-G364 PolarHBondContact OG-O 3.21Å; Y360-G364 PolarHBondContact O-N 3.33Å; H362-G364 VanDerWaalsContact C-N 3.26Å; G364-D366 PolarHBondContact O-N 3.43Å; G364-Y634 VanDerWaalsContact C-CE1 3.44Å; G364-Y634 VanDerWaalsContact CA-CZ 3.46Å; G364-Y634 WeakPolarHBondContact CA-OH 3.32Å; G364-Y634 WeakPolarHBondContact O-CE1 3.21Å
365I98.8Very high96.6Very high0 Ų021.6 Ų21.60%010%0.104CC..  trans-71.9119.2175.5-61.7-65.6000110.1P332 S343 V345 Y360 F363 K367 Y407 Y634 Y636P332-I365 HydrophobicContact CB-CD1 3.62Å; P332-I365 HydrophobicContact CG-CD1 3.56Å; P332-I365 HydrophobicContact CG-CG1 4.38Å; S343-I365 VanDerWaalsContact OG-CA 3.31Å; S343-I365 WeakPolarHBondContact OG-CA 3.5Å; V345-I365 HydrophobicContact CB-CG2 4.42Å; V345-I365 HydrophobicContact CG2-CD1 3.9Å; V345-I365 HydrophobicContact CG2-CG1 4.06Å; V345-I365 HydrophobicContact CG2-CG2 3.85Å; Y360-I365 HydrophobicContact CD1-CG1 4.3Å; Y360-I365 HydrophobicContact CG-CB 4.5Å; Y360-I365 HydrophobicContact CG-CG1 4.15Å; Y360-I365 PolarHBondContact O-N 2.92Å; F363-I365 HydrophobicContact CB-CG1 4.28Å; I365-K367 VanDerWaalsContact CG2-O 3.3Å; I365-K367 WeakPolarHBondContact CG2-O 3.27Å; I365-Y407 HydrophobicContact CD1-CE1 4.39Å; I365-Y634 WeakPolarHBondContact O-CD1 3.44Å; I365-Y636 WeakPolarHBondContact O-CE1 3.49Å; I365-Y636 PolarHBondContact O-OH 2.86Å
366D98.4Very high96.9Very high55 Ų5519.8 Ų19.829%0.2949%0.094SC..SBendtrans-68.8-37.5-175.5-59-84.8000112.6K342 S343 G364K342-D366 WeakPolarHBondContact CA-OD2 3.45Å; K342-D366 WeakPolarHBondContact CD-OD2 3.43Å; K342-D366 IonicContact NZ-OD1 2.79Å; K342-D366 PolarHBondContact NZ-OD1 3.24Å; S343-D366 PolarHBondContact N-OD2 3.32Å; S343-D366 WeakPolarHBondContact O-CB 3.33Å; S343-D366 PolarHBondContact O-N 2.7Å; S343-D366 PolarHBondContact OG-N 3.33Å; S343-D366 PolarHBondContact OG-OD2 3.12Å; G364-D366 PolarHBondContact O-N 3.43Å
367K98.1Very high96.9Very high81 Ų8121.4 Ų21.435%0.35211%0.105SC..EExtended strand (participates in β ladder)trans-140.8140-177.4-168.6165.8-177.1-174.90113.3S343 D344 V345 I365 Y369S343-K367 PolarHBondContact O-N 3Å; S343-K367 VanDerWaalsContact O-N 3.08Å; D344-K367 CarbonylContact C-O 3.59Å; D344-K367 WeakPolarHBondContact CA-O 3.4Å; D344-K367 HydrophobicContact CB-CB 4.06Å; D344-K367 WeakPolarHBondContact CB-O 3.17Å; V345-K367 PolarHBondContact N-O 3.05Å; I365-K367 VanDerWaalsContact CG2-O 3.3Å; I365-K367 WeakPolarHBondContact CG2-O 3.27Å; K367-Y369 HydrophobicContact CB-CE2 4.44Å; K367-Y369 HydrophobicContact CD-CD2 4.38Å; K367-Y369 HydrophobicContact CD-CE1 4.1Å; K367-Y369 HydrophobicContact CD-CE2 3.59Å; K367-Y369 VanDerWaalsContact CD-CZ 3.44Å; K367-Y369 WeakPolarHBondContact CD-OH 3.36Å; K367-Y369 VanDerWaalsContact CE-OH 3.31Å; K367-Y369 WeakPolarHBondContact CE-OH 3.47Å; K367-Y369 HydrophobicContact CG-CD2 4.15Å; K367-Y369 HydrophobicContact CG-CE2 3.79Å; K367-Y369 VanDerWaalsContact NZ-CE1 3.32Å; K367-Y369 PolarHBondContact NZ-OH 2.73Å
368F98.3Very high96.8Very high2 Ų225.7 Ų25.71%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-124.2112.5174.2-175.1-167.7000110.1V345 H347 K351 R356 Y360 D370 Y636V345-F368 HydrophobicContact CB-CD2 4.01Å; V345-F368 HydrophobicContact CB-CE2 4.45Å; V345-F368 HydrophobicContact CG1-CD2 4.06Å; V345-F368 HydrophobicContact CG1-CE2 4Å; V345-F368 CarbonylContact O-C 3.4Å; V345-F368 WeakPolarHBondContact O-CA 3.34Å; V345-F368 WeakPolarHBondContact O-CD2 3.49Å; H347-F368 HydrophobicContact CB-CE2 3.97Å; H347-F368 HydrophobicContact CB-CZ 4.46Å; K351-F368 VanDerWaalsContact CA-CE1 3.41Å; K351-F368 HydrophobicContact CB-CD1 3.66Å; K351-F368 HydrophobicContact CB-CE1 3.26Å; K351-F368 HydrophobicContact CB-CZ 4.04Å; R356-F368 HydrophobicContact CB-CE1 3.69Å; R356-F368 HydrophobicContact CB-CZ 4.17Å; Y360-F368 AromaticContact CD2-CD1 3.75Å; Y360-F368 HydrophobicContact CD2-CD1 3.75Å; Y360-F368 AromaticContact CD2-CE1 3.97Å; Y360-F368 HydrophobicContact CD2-CE1 3.97Å; Y360-F368 HydrophobicContact CD2-CG 4.05Å; Y360-F368 HydrophobicContact CD2-CZ 4.5Å; Y360-F368 AromaticContact CE2-CD1 3.95Å; Y360-F368 HydrophobicContact CE2-CD1 3.95Å; Y360-F368 HydrophobicContact CE2-CD2 4.2Å; Y360-F368 AromaticContact CE2-CE1 3.78Å; Y360-F368 HydrophobicContact CE2-CE1 3.78Å; Y360-F368 HydrophobicContact CE2-CE2 4.09Å; Y360-F368 HydrophobicContact CE2-CG 4.17Å; Y360-F368 AromaticContact CE2-CZ 3.88Å; Y360-F368 HydrophobicContact CE2-CZ 3.88Å; F368-D370 HydrophobicContact CD2-CB 4.43Å; F368-D370 HydrophobicContact CE1-CB 4.37Å; F368-D370 HydrophobicContact CE2-CB 4.09Å; F368-D370 HydrophobicContact CZ-CB 4.06Å; F368-D370 PolarHBondContact O-N 2.91Å; F368-Y636 HydrophobicContact CB-CD1 3.62Å; F368-Y636 HydrophobicContact CB-CD2 4.36Å; F368-Y636 HydrophobicContact CB-CE1 3.99Å; F368-Y636 HydrophobicContact CB-CG 3.84Å; F368-Y636 HydrophobicContact CD1-CD2 4.4Å
369Y98.4Very high96.9Very high14 Ų1428.6 Ų28.66%0.05514%0.14CC..EExtended strand (participates in β ladder)trans-9090.1171-59.6-95.1000109D344 V345 M346 H347 K367 Y373 Y374 Y398D344-Y369 HydrophobicContact CB-CD2 4.26Å; D344-Y369 HydrophobicContact CB-CE2 3.99Å; D344-Y369 WeakPolarHBondContact OD2-CE2 3.49Å; V345-Y369 PolarHBondContact O-N 2.95Å; M346-Y369 WeakPolarHBondContact CA-O 3.43Å; M346-Y369 HydrophobicContact CE-CD2 3.96Å; M346-Y369 HydrophobicContact CE-CE2 3.84Å; M346-Y369 HydrophobicContact CG-CD2 3.78Å; M346-Y369 HydrophobicContact CG-CG 4.27Å; M346-Y369 HydrophobicContact SD-CD2 4.32Å; H347-Y369 PolarHBondContact N-O 3.28Å; K367-Y369 HydrophobicContact CB-CE2 4.44Å; K367-Y369 HydrophobicContact CD-CD2 4.38Å; K367-Y369 HydrophobicContact CD-CE1 4.1Å; K367-Y369 HydrophobicContact CD-CE2 3.59Å; K367-Y369 VanDerWaalsContact CD-CZ 3.44Å; K367-Y369 WeakPolarHBondContact CD-OH 3.36Å; K367-Y369 VanDerWaalsContact CE-OH 3.31Å; K367-Y369 WeakPolarHBondContact CE-OH 3.47Å; K367-Y369 HydrophobicContact CG-CD2 4.15Å; K367-Y369 HydrophobicContact CG-CE2 3.79Å; K367-Y369 VanDerWaalsContact NZ-CE1 3.32Å; K367-Y369 PolarHBondContact NZ-OH 2.73Å; Y369-Y373 AromaticContact CD1-CD1 3.61Å; Y369-Y373 HydrophobicContact CD1-CD1 3.61Å; Y369-Y373 HydrophobicContact CD1-CD2 4.39Å; Y369-Y373 HydrophobicContact CD1-CE1 4.08Å; Y369-Y373 AromaticContact CD1-CG 3.79Å; Y369-Y373 HydrophobicContact CD1-CG 3.79Å; Y369-Y373 HydrophobicContact CE1-CD1 4.16Å; Y369-Y373 HydrophobicContact CE1-CE1 4.37Å; Y369-Y373 HydrophobicContact CG-CG 4.47Å; Y369-Y374 WeakPolarHBondContact O-CE2 3.38Å; Y369-Y398 HydrophobicContact CD1-CD1 4.24Å; Y369-Y398 AromaticContact CD1-CD2 3.92Å; Y369-Y398 HydrophobicContact CD1-CD2 3.92Å; Y369-Y398 HydrophobicContact CD1-CE2 4.27Å; Y369-Y398 AromaticContact CD1-CG 3.92Å; Y369-Y398 HydrophobicContact CD1-CG 3.92Å; Y369-Y398 AromaticContact CE1-CD1 3.63Å; Y369-Y398 HydrophobicContact CE1-CD1 3.63Å; Y369-Y398 HydrophobicContact CE1-CD2 4.07Å; Y369-Y398 HydrophobicContact CE1-CE1 4.22Å; Y369-Y398 AromaticContact CE1-CG 3.57Å; Y369-Y398 HydrophobicContact CE1-CG 3.57Å
370D96.4Very high96.8Very high2 Ų229.5 Ų29.51%0.01115%0.145CC..  trans-87.5-175.6173.980.9-31.5000111.6H347 D349 K351 F368 T372 Y373 Y374H347-D370 CarbonylContact O-C 3.57Å; H347-D370 WeakPolarHBondContact O-CA 3.4Å; D349-D370 WeakPolarHBondContact O-CB 3.32Å; K351-D370 HydrophobicContact CB-CB 3.72Å; K351-D370 WeakPolarHBondContact CB-OD2 3.4Å; K351-D370 VanDerWaalsContact CG-OD2 3.29Å; K351-D370 WeakPolarHBondContact CG-OD2 3.26Å; K351-D370 PolarHBondContact N-OD2 3.31Å; F368-D370 HydrophobicContact CD2-CB 4.43Å; F368-D370 HydrophobicContact CE1-CB 4.37Å; F368-D370 HydrophobicContact CE2-CB 4.09Å; F368-D370 HydrophobicContact CZ-CB 4.06Å; F368-D370 PolarHBondContact O-N 2.91Å; D370-T372 PolarHBondContact O-N 3.2Å; D370-T372 PolarHBondContact OD1-N 3.13Å; D370-T372 PolarHBondContact OD1-OG1 3.06Å; D370-Y373 PolarHBondContact O-N 3.3Å; D370-Y374 VanDerWaalsContact O-CD2 3.23Å; D370-Y374 WeakPolarHBondContact O-CD2 3.06Å; D370-Y374 WeakPolarHBondContact O-CE2 3.16Å
371A95.5Very high96.6Very high0 Ų030.2 Ų30.20%015%0.149CC..G310 helixtrans-44.7-32.3178.500000114.4H347 D349 Y350 Y373 Y374 M376H347-A371 PolarHBondContact O-N 3.28Å; D349-A371 VanDerWaalsContact C-CB 3.47Å; D349-A371 PolarHBondContact O-N 3.28Å; Y350-A371 HydrophobicContact CD1-CB 3.81Å; Y350-A371 HydrophobicContact CD2-CB 4.02Å; Y350-A371 HydrophobicContact CE1-CB 3.92Å; Y350-A371 HydrophobicContact CE2-CB 4.13Å; Y350-A371 HydrophobicContact CG-CB 3.88Å; A371-Y373 PolarHBondContact O-N 2.94Å; A371-Y373 VanDerWaalsContact O-N 3.16Å; A371-Y374 PolarHBondContact O-N 3.31Å; A371-M376 HydrophobicContact CB-CE 3.9Å; A371-M376 HydrophobicContact CB-CG 4.04Å; A371-M376 HydrophobicContact CB-SD 3.89Å; A371-M376 WeakPolarHBondContact O-CG 3.45Å
372T96.4Very high96.3Very high11 Ų1129.1 Ų29.17%0.06715%0.145CC..G310 helixtrans-70.3-10-17869.70000114.5Y350 D370 T638 G639 K641 A642Y350-T372 HydrophobicContact CD1-CG2 4.16Å; Y350-T372 HydrophobicContact CE1-CG2 4.09Å; D370-T372 PolarHBondContact O-N 3.2Å; D370-T372 PolarHBondContact OD1-N 3.13Å; D370-T372 PolarHBondContact OD1-OG1 3.06Å; T372-T638 HydrophobicContact CG2-CG2 4.16Å; T372-G639 CarbonylContact O-C 3.54Å; T372-G639 VanDerWaalsContact O-CA 3.23Å; T372-G639 WeakPolarHBondContact O-CA 3.36Å; T372-G639 PolarHBondContact OG1-N 2.97Å; T372-K641 CarbonylContact O-C 3.51Å; T372-K641 WeakPolarHBondContact O-CA 3.49Å; T372-K641 PolarHBondContact O-N 2.75Å; T372-A642 HydrophobicContact CG2-CB 4.23Å; T372-A642 PolarHBondContact O-N 3.29Å
373Y98Very high95.7Very high28 Ų2830.2 Ų30.211%0.1115%0.152CC..G310 helixtrans-91.9-9.9171.6-72.5-93.5000113.4Y369 D370 A371 Y398 E637 K641Y369-Y373 AromaticContact CD1-CD1 3.61Å; Y369-Y373 HydrophobicContact CD1-CD1 3.61Å; Y369-Y373 HydrophobicContact CD1-CD2 4.39Å; Y369-Y373 HydrophobicContact CD1-CE1 4.08Å; Y369-Y373 AromaticContact CD1-CG 3.79Å; Y369-Y373 HydrophobicContact CD1-CG 3.79Å; Y369-Y373 HydrophobicContact CE1-CD1 4.16Å; Y369-Y373 HydrophobicContact CE1-CE1 4.37Å; Y369-Y373 HydrophobicContact CG-CG 4.47Å; D370-Y373 PolarHBondContact O-N 3.3Å; A371-Y373 PolarHBondContact O-N 2.94Å; A371-Y373 VanDerWaalsContact O-N 3.16Å; Y373-Y398 PolarHBondContact O-OH 2.62Å; Y373-E637 PolarHBondContact OH-O 3.17Å; Y373-K641 WeakPolarHBondContact O-CD 3.29Å
374Y97.9Very high95Very high0 Ų031.3 Ų31.30%016%0.158CC..SBendtrans-114.6160.9-176-56-85.5000112.4Y369 D370 A371 M376 L386 F391 D394 S395 Y398 K641 S644Y369-Y374 WeakPolarHBondContact O-CE2 3.38Å; D370-Y374 VanDerWaalsContact O-CD2 3.23Å; D370-Y374 WeakPolarHBondContact O-CD2 3.06Å; D370-Y374 WeakPolarHBondContact O-CE2 3.16Å; A371-Y374 PolarHBondContact O-N 3.31Å; Y374-M376 PolarHBondContact O-N 2.87Å; Y374-L386 VanDerWaalsContact CB-CD2 3.41Å; Y374-L386 HydrophobicContact CD1-CD2 3.7Å; Y374-L386 HydrophobicContact CD2-CD2 4.32Å; Y374-L386 HydrophobicContact CG-CD2 3.55Å; Y374-F391 AromaticContact CE1-CD2 3.93Å; Y374-F391 HydrophobicContact CE1-CD2 3.93Å; Y374-F391 HydrophobicContact CE1-CE2 4.4Å; Y374-F391 HydrophobicContact CE2-CD2 4.27Å; Y374-F391 HydrophobicContact CE2-CE2 4.34Å; Y374-F391 AromaticContact CZ-CD2 3.79Å; Y374-F391 AromaticContact CZ-CE2 3.86Å; Y374-D394 HydrophobicContact CD1-CB 3.69Å; Y374-D394 HydrophobicContact CE1-CB 3.72Å; Y374-S395 PolarHBondContact OH-OG 3.08Å; Y374-Y398 HydrophobicContact CE1-CD2 4.44Å; Y374-Y398 HydrophobicContact CE1-CE2 4.11Å; Y374-K641 WeakPolarHBondContact O-CB 3.48Å; Y374-K641 WeakPolarHBondContact O-CD 3.21Å; Y374-S644 PolarHBondContact O-OG 2.8Å
375D96.4Very high94.6Very high47 Ų4731.4 Ų31.425%0.25116%0.159SC..  trans-81.197.2176.9173.27000108.7S377 N380 L386 K641D375-S377 PolarHBondContact O-N 3.44Å; D375-S377 VanDerWaalsContact OD1-CB 3.24Å; D375-S377 WeakPolarHBondContact OD1-CB 3.43Å; D375-S377 PolarHBondContact OD1-N 2.86Å; D375-S377 PolarHBondContact OD1-OG 3.02Å; D375-S377 PolarHBondContact OD2-OG 3.36Å; D375-N380 WeakPolarHBondContact O-CB 3.37Å; D375-N380 PolarHBondContact O-ND2 3.25Å; D375-N380 PolarHBondContact OD2-ND2 3.11Å; D375-L386 WeakPolarHBondContact O-CD1 3.39Å; D375-K641 HydrophobicContact CB-CD 4.19Å; D375-K641 VanDerWaalsContact N-CD 3.34Å
376M94.9Very high94.5Very high9 Ų931.4 Ų31.44%0.04416%0.159CC..  trans-85.921.3-177.9-60.6-61.3-69.800113.8A371 Y374 V381 L386 S644A371-M376 HydrophobicContact CB-CE 3.9Å; A371-M376 HydrophobicContact CB-CG 4.04Å; A371-M376 HydrophobicContact CB-SD 3.89Å; A371-M376 WeakPolarHBondContact O-CG 3.45Å; Y374-M376 PolarHBondContact O-N 2.87Å; M376-V381 HydrophobicContact CB-CG2 4.38Å; M376-V381 HydrophobicContact CE-CG2 3.87Å; M376-V381 HydrophobicContact SD-CG2 4.35Å; M376-L386 HydrophobicContact SD-CB 3.98Å; M376-L386 HydrophobicContact SD-CD1 4.16Å; M376-S644 CarbonylContact C-O 3.57Å; M376-S644 PolarHBondContact N-OG 2.88Å; M376-S644 VanDerWaalsContact N-OG 3.09Å
377S93.6Very high94.5Very high33 Ų3329 Ų2923%0.23115%0.146CC..  trans-60.8146.8173.3550000112.1D375 K379 N380 V381 S644D375-S377 PolarHBondContact O-N 3.44Å; D375-S377 VanDerWaalsContact OD1-CB 3.24Å; D375-S377 WeakPolarHBondContact OD1-CB 3.43Å; D375-S377 PolarHBondContact OD1-N 2.86Å; D375-S377 PolarHBondContact OD1-OG 3.02Å; D375-S377 PolarHBondContact OD2-OG 3.36Å; S377-K379 PolarHBondContact O-N 3.25Å; S377-K379 WeakPolarHBondContact OG-CE 3.3Å; S377-N380 WeakPolarHBondContact O-CB 3.22Å; S377-N380 PolarHBondContact O-N 3.46Å; S377-N380 PolarHBondContact OG-ND2 2.8Å; S377-V381 PolarHBondContact O-N 2.81Å; S377-S644 PolarHBondContact N-O 2.91Å
378D90.6Very high94.6Very high116 Ų11625.2 Ų25.262%0.6213%0.129SC*.G310 helixtrans-48.9-37.5-171.7-67.4-22.5000114.8N380 V381D378-N380 PolarHBondContact O-N 3.4Å; D378-V381 PolarHBondContact O-N 2.89Å
379K92.8Very high94.6Very high135 Ų13527.3 Ų27.359%0.58714%0.138SC*.G310 helixtrans-62.2-25.4178.862.1173.2-172.8-175.10113.8S377 K387S377-K379 PolarHBondContact O-N 3.25Å; S377-K379 WeakPolarHBondContact OG-CE 3.3Å; K379-K387 PolarHBondContact O-NZ 2.97Å
380N95.8Very high94.6Very high19 Ų1928.8 Ų28.810%0.10215%0.147CC..G310 helixtrans-98.6-11.6-175.1-63.5-17.5000112.6D375 S377 D378 L386 K387 I390D375-N380 WeakPolarHBondContact O-CB 3.37Å; D375-N380 PolarHBondContact O-ND2 3.25Å; D375-N380 PolarHBondContact OD2-ND2 3.11Å; S377-N380 WeakPolarHBondContact O-CB 3.22Å; S377-N380 PolarHBondContact O-N 3.46Å; S377-N380 PolarHBondContact OG-ND2 2.8Å; D378-N380 PolarHBondContact O-N 3.4Å; N380-L386 HydrophobicContact CB-CD1 3.86Å; N380-K387 VanDerWaalsContact O-CB 3.29Å; N380-K387 WeakPolarHBondContact O-CB 3.1Å; N380-K387 VanDerWaalsContact O-CG 3.24Å; N380-K387 WeakPolarHBondContact O-CG 3.49Å; N380-K387 PolarHBondContact O-N 3.43Å; N380-I390 HydrophobicContact CB-CD1 3.55Å; N380-I390 VanDerWaalsContact CG-CD1 3.43Å; N380-I390 VanDerWaalsContact OD1-CD1 3.25Å; N380-I390 WeakPolarHBondContact OD1-CD1 3.47Å
381V93.8Very high94.7Very high16 Ų1628.7 Ų28.710%0.09715%0.146CC..EExtended strand (participates in β ladder)trans-104.9143.4-175.5173.90000109.2M376 S377 D378 G385M376-V381 HydrophobicContact CB-CG2 4.38Å; M376-V381 HydrophobicContact CE-CG2 3.87Å; M376-V381 HydrophobicContact SD-CG2 4.35Å; S377-V381 PolarHBondContact O-N 2.81Å; D378-V381 PolarHBondContact O-N 2.89Å; V381-G385 WeakPolarHBondContact CA-O 3.36Å; V381-G385 WeakPolarHBondContact CG1-O 3.38Å
382V91.9Very high94.8Very high13 Ų1328.8 Ų28.88%0.07915%0.147CC..EExtended strand (participates in β ladder)trans-139.2137.6170.163.10000108.5L384 G385 K387 T414 T420V382-L384 PolarHBondContact O-N 2.97Å; V382-G385 PolarHBondContact N-O 2.91Å; V382-G385 PolarHBondContact O-N 3.2Å; V382-G385 VanDerWaalsContact O-O 3.07Å; V382-K387 HydrophobicContact CB-CG 4.22Å; V382-K387 HydrophobicContact CG1-CG 3.72Å; V382-T414 HydrophobicContact CG1-CG2 3.89Å; V382-T420 WeakPolarHBondContact CG2-O 3.49Å
383N86Confident95Very high54 Ų5434.6 Ų34.629%0.28917%0.171SC..THydrogen-bonded Turntrans52.4-108.5-178-17430.1000112.1H416 Y417 K646N383-H416 PolarHBondContact ND2-O 3.41Å; N383-Y417 PolarHBondContact ND2-O 3.37Å; N383-K646 PolarHBondContact O-NZ 3.05Å
384L84.7Confident95Very high23 Ų2334.8 Ų34.812%0.1217%0.174CC..THydrogen-bonded Turntrans-80-33.5-174.4-176.259.9000113.2S111 F353 V382 L413S111-L384 VanDerWaalsContact CB-CD1 3.47Å; F353-L384 HydrophobicContact CE1-CD2 4.31Å; V382-L384 PolarHBondContact O-N 2.97Å; L384-L413 HydrophobicContact CD2-CD2 4.11Å
385G91.2Very high95Very high1 Ų134.8 Ų34.81%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-165.5-161.7-167.800000115.6V381 V382V381-G385 WeakPolarHBondContact CA-O 3.36Å; V381-G385 WeakPolarHBondContact CG1-O 3.38Å; V382-G385 PolarHBondContact N-O 2.91Å; V382-G385 PolarHBondContact O-N 3.2Å; V382-G385 VanDerWaalsContact O-O 3.07Å
386L96.5Very high95.1Very high1 Ų132.5 Ų32.51%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-64.7139.7-172.7-170.367.8000112.4G348 Y374 D375 M376 N380 I390 F391G348-L386 PolarHBondContact O-N 3.34Å; Y374-L386 VanDerWaalsContact CB-CD2 3.41Å; Y374-L386 HydrophobicContact CD1-CD2 3.7Å; Y374-L386 HydrophobicContact CD2-CD2 4.32Å; Y374-L386 HydrophobicContact CG-CD2 3.55Å; D375-L386 WeakPolarHBondContact O-CD1 3.39Å; M376-L386 HydrophobicContact SD-CB 3.98Å; M376-L386 HydrophobicContact SD-CD1 4.16Å; N380-L386 HydrophobicContact CB-CD1 3.86Å; L386-I390 HydrophobicContact CD1-CB 4.39Å; L386-I390 HydrophobicContact CD1-CG2 4.14Å; L386-I390 HydrophobicContact CD2-CG2 4.45Å; L386-I390 HydrophobicContact CG-CB 4.45Å; L386-F391 HydrophobicContact CD2-CB 3.79Å; L386-F391 HydrophobicContact CG-CB 4.26Å
387K98.3Very high95.3Very high4 Ų435.1 Ų35.12%0.01718%0.176CC..  trans-62.6134.8173-75174.5-175.1179.90111.7K379 N380 V382 K389 I390 F391 T414 D422 D425 Y447K379-K387 PolarHBondContact O-NZ 2.97Å; N380-K387 VanDerWaalsContact O-CB 3.29Å; N380-K387 WeakPolarHBondContact O-CB 3.1Å; N380-K387 VanDerWaalsContact O-CG 3.24Å; N380-K387 WeakPolarHBondContact O-CG 3.49Å; N380-K387 PolarHBondContact O-N 3.43Å; V382-K387 HydrophobicContact CB-CG 4.22Å; V382-K387 HydrophobicContact CG1-CG 3.72Å; K387-K389 PolarHBondContact O-N 2.8Å; K387-I390 HydrophobicContact CB-CD1 4.43Å; K387-I390 PolarHBondContact O-N 3.25Å; K387-F391 PolarHBondContact O-N 2.84Å; K387-T414 WeakPolarHBondContact CA-OG1 3.02Å; K387-D422 IonicContact NZ-OD2 3.21Å; K387-D422 PolarHBondContact NZ-OD2 3.43Å; K387-D425 VanDerWaalsContact CE-OD2 3.32Å; K387-D425 WeakPolarHBondContact CE-OD2 3.49Å; K387-D425 IonicContact NZ-OD2 3.43Å; K387-D425 PolarHBondContact NZ-OD2 3.41Å; K387-Y447 HydrophobicContact CB-CE1 4.46Å; K387-Y447 WeakPolarHBondContact CB-OH 3.36Å
388D98.8Very high95.5Very high1 Ų135.4 Ų35.41%0.00517%0.172CC..Hα-helixtrans-63.6-35.2-167.9-70.1-31.6000113.8I390 F391 F392 T412 L413 T414 Y447 A451D388-I390 VanDerWaalsContact C-N 3.3Å; D388-I390 PolarHBondContact O-N 2.98Å; D388-F391 PolarHBondContact O-N 2.77Å; D388-F392 HydrophobicContact CB-CD2 4.41Å; D388-F392 HydrophobicContact CB-CE2 4.47Å; D388-F392 WeakPolarHBondContact O-CB 3.29Å; D388-F392 WeakPolarHBondContact O-CD2 3.22Å; D388-F392 PolarHBondContact O-N 3.49Å; D388-T412 WeakPolarHBondContact OD1-CA 3.28Å; D388-T412 WeakPolarHBondContact OD1-CB 3.49Å; D388-L413 PolarHBondContact OD1-N 3.07Å; D388-T414 VanDerWaalsContact CG-OG1 3.25Å; D388-T414 PolarHBondContact N-OG1 2.8Å; D388-T414 PolarHBondContact OD1-N 2.89Å; D388-T414 WeakPolarHBondContact OD2-CB 3.43Å; D388-T414 PolarHBondContact OD2-N 3.45Å; D388-T414 PolarHBondContact OD2-OG1 3.26Å; D388-Y447 HydrophobicContact CB-CE1 4.14Å; D388-A451 HydrophobicContact CB-CB 3.78Å
389K98.7Very high95.8Very high46 Ų4629.9 Ų29.920%0.214%0.142CC..Hα-helixtrans-60.1-39.7175-65.3-175.4-179.5-164.60112.4K387 K393 Y447 E450 A451 E454K387-K389 PolarHBondContact O-N 2.8Å; K389-K393 VanDerWaalsContact O-CB 3.3Å; K389-K393 WeakPolarHBondContact O-CB 3.3Å; K389-K393 PolarHBondContact O-N 3.06Å; K389-Y447 WeakPolarHBondContact CB-OH 3.37Å; K389-Y447 HydrophobicContact CD-CE2 3.79Å; K389-Y447 HydrophobicContact CG-CE1 3.96Å; K389-Y447 HydrophobicContact CG-CE2 4.13Å; K389-Y447 WeakPolarHBondContact CG-OH 3.41Å; K389-E450 IonicContact NZ-OE2 3.67Å; K389-E450 PolarHBondContact NZ-OE2 2.64Å; K389-A451 HydrophobicContact CB-CB 4.4Å; K389-A451 HydrophobicContact CG-CB 3.59Å; K389-E454 WeakPolarHBondContact CD-OE1 3.35Å; K389-E454 IonicContact NZ-OE1 2.84Å; K389-E454 PolarHBondContact NZ-OE1 2.71Å
390I98.2Very high96Very high45 Ų4525.6 Ų25.623%0.23113%0.133CC..Hα-helixtrans-74.8-46.8179.1-57.2175.9000109.6N380 L386 K387 D388 K393 D394N380-I390 HydrophobicContact CB-CD1 3.55Å; N380-I390 VanDerWaalsContact CG-CD1 3.43Å; N380-I390 VanDerWaalsContact OD1-CD1 3.25Å; N380-I390 WeakPolarHBondContact OD1-CD1 3.47Å; L386-I390 HydrophobicContact CD1-CB 4.39Å; L386-I390 HydrophobicContact CD1-CG2 4.14Å; L386-I390 HydrophobicContact CD2-CG2 4.45Å; L386-I390 HydrophobicContact CG-CB 4.45Å; K387-I390 HydrophobicContact CB-CD1 4.43Å; K387-I390 PolarHBondContact O-N 3.25Å; D388-I390 VanDerWaalsContact C-N 3.3Å; D388-I390 PolarHBondContact O-N 2.98Å; I390-K393 PolarHBondContact O-N 3.22Å; I390-D394 PolarHBondContact O-N 2.77Å; I390-D394 VanDerWaalsContact O-N 3.08Å
391F98.7Very high96Very high1 Ų132.3 Ų32.30%0.00416%0.161CC..Hα-helixtrans-50.4-59.9174.7168.8-116.2000111M346 Y374 L386 K387 D388 K393 D394 S395 L410 I411 T412M346-F391 HydrophobicContact CB-CE2 3.9Å; M346-F391 HydrophobicContact CB-CZ 3.96Å; M346-F391 VanDerWaalsContact O-CZ 3.27Å; M346-F391 WeakPolarHBondContact O-CZ 3.33Å; Y374-F391 AromaticContact CE1-CD2 3.93Å; Y374-F391 HydrophobicContact CE1-CD2 3.93Å; Y374-F391 HydrophobicContact CE1-CE2 4.4Å; Y374-F391 HydrophobicContact CE2-CD2 4.27Å; Y374-F391 HydrophobicContact CE2-CE2 4.34Å; Y374-F391 AromaticContact CZ-CD2 3.79Å; Y374-F391 AromaticContact CZ-CE2 3.86Å; L386-F391 HydrophobicContact CD2-CB 3.79Å; L386-F391 HydrophobicContact CG-CB 4.26Å; K387-F391 PolarHBondContact O-N 2.84Å; D388-F391 PolarHBondContact O-N 2.77Å; F391-K393 VanDerWaalsContact C-N 3.34Å; F391-K393 PolarHBondContact O-N 3.39Å; F391-D394 PolarHBondContact O-N 2.97Å; F391-S395 WeakPolarHBondContact CD2-OG 3.49Å; F391-S395 VanDerWaalsContact CE2-OG 3.22Å; F391-S395 WeakPolarHBondContact CE2-OG 3.36Å; F391-S395 VanDerWaalsContact O-CB 3.29Å; F391-S395 WeakPolarHBondContact O-CB 3.24Å; F391-S395 PolarHBondContact O-N 3.39Å; F391-S395 PolarHBondContact O-OG 2.73Å; F391-L410 HydrophobicContact CE1-CB 4.16Å; F391-L410 HydrophobicContact CZ-CB 4.06Å; F391-L410 HydrophobicContact CZ-CD2 4.45Å; F391-I411 WeakPolarHBondContact CE1-O 3.4Å; F391-T412 HydrophobicContact CE1-CG2 4.45Å
392F98.9Very high96.2Very high2 Ų233.2 Ų33.21%0.00916%0.164CC..Hα-helixtrans-60.7-40.1-177.1-82.3-44.9000113.5I252 D388 S395 A396 L410 T412 A451 Y455I252-F392 HydrophobicContact CG2-CE1 4.04Å; I252-F392 HydrophobicContact CG2-CZ 3.84Å; D388-F392 HydrophobicContact CB-CD2 4.41Å; D388-F392 HydrophobicContact CB-CE2 4.47Å; D388-F392 WeakPolarHBondContact O-CB 3.29Å; D388-F392 WeakPolarHBondContact O-CD2 3.22Å; D388-F392 PolarHBondContact O-N 3.49Å; F392-S395 PolarHBondContact O-N 2.91Å; F392-A396 WeakPolarHBondContact O-CB 3.36Å; F392-A396 PolarHBondContact O-N 3.32Å; F392-L410 HydrophobicContact CD1-CD2 3.91Å; F392-L410 HydrophobicContact CE1-CB 4.2Å; F392-L410 HydrophobicContact CE1-CD2 4.09Å; F392-T412 HydrophobicContact CE1-CG2 3.99Å; F392-T412 HydrophobicContact CE2-CG2 3.56Å; F392-T412 HydrophobicContact CZ-CG2 3.18Å; F392-A451 HydrophobicContact CD2-CB 3.86Å; F392-A451 WeakPolarHBondContact CD2-O 3.07Å; F392-A451 HydrophobicContact CE2-CB 4.18Å; F392-Y455 HydrophobicContact CB-CD2 3.77Å; F392-Y455 HydrophobicContact CB-CG 4.02Å; F392-Y455 AromaticContact CD1-CD1 3.96Å; F392-Y455 HydrophobicContact CD1-CD1 3.96Å; F392-Y455 AromaticContact CD1-CD2 3.67Å; F392-Y455 HydrophobicContact CD1-CD2 3.67Å; F392-Y455 HydrophobicContact CD1-CE1 4.41Å; F392-Y455 HydrophobicContact CD1-CE2 4.15Å; F392-Y455 AromaticContact CD1-CG 3.56Å; F392-Y455 HydrophobicContact CD1-CG 3.56Å; F392-Y455 HydrophobicContact CE1-CD1 4.06Å; F392-Y455 HydrophobicContact CE1-CE1 4.44Å; F392-Y455 HydrophobicContact CE1-CG 4.11Å; F392-Y455 AromaticContact CG-CD2 3.97Å; F392-Y455 HydrophobicContact CG-CD2 3.97Å; F392-Y455 AromaticContact CG-CG 3.82Å; F392-Y455 HydrophobicContact CG-CG 3.82Å
393K98.7Very high96.3Very high132 Ų13241.2 Ų41.257%0.57420%0.198SC*.Hα-helixtrans-60.8-47.9177.8-179.3179.1179.1179.20111.7K389 I390 F391 N397K389-K393 VanDerWaalsContact O-CB 3.3Å; K389-K393 WeakPolarHBondContact O-CB 3.3Å; K389-K393 PolarHBondContact O-N 3.06Å; I390-K393 PolarHBondContact O-N 3.22Å; F391-K393 VanDerWaalsContact C-N 3.34Å; F391-K393 PolarHBondContact O-N 3.39Å; K393-N397 PolarHBondContact O-N 2.8Å; K393-N397 PolarHBondContact O-ND2 2.75Å; K393-N397 VanDerWaalsContact O-ND2 3.12Å
394D98.5Very high96.9Very high32 Ų3242 Ų4217%0.17121%0.208CC..Hα-helixtrans-69.2-41.6178.3-83.74.7000111Y374 I390 F391 A396 N397 Y398 K641Y374-D394 HydrophobicContact CD1-CB 3.69Å; Y374-D394 HydrophobicContact CE1-CB 3.72Å; I390-D394 PolarHBondContact O-N 2.77Å; I390-D394 VanDerWaalsContact O-N 3.08Å; F391-D394 PolarHBondContact O-N 2.97Å; D394-A396 PolarHBondContact O-N 3.37Å; D394-N397 WeakPolarHBondContact O-CB 3.33Å; D394-N397 PolarHBondContact O-N 2.83Å; D394-N397 VanDerWaalsContact O-N 3.07Å; D394-Y398 HydrophobicContact CB-CE2 4.31Å; D394-Y398 WeakPolarHBondContact O-CD2 3.31Å; D394-Y398 PolarHBondContact O-N 2.94Å; D394-K641 IonicContact OD2-NZ 2.76Å; D394-K641 PolarHBondContact OD2-NZ 3.19Å
395S98.7Very high97.5Very high0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-58.2-44.6175.7-64.80000112.6M346 Y374 F391 F392 N397 Y398 Q399M346-S395 VanDerWaalsContact SD-CA 3.58Å; M346-S395 WeakPolarHBondContact SD-CB 3.49Å; Y374-S395 PolarHBondContact OH-OG 3.08Å; F391-S395 WeakPolarHBondContact CD2-OG 3.49Å; F391-S395 VanDerWaalsContact CE2-OG 3.22Å; F391-S395 WeakPolarHBondContact CE2-OG 3.36Å; F391-S395 VanDerWaalsContact O-CB 3.29Å; F391-S395 WeakPolarHBondContact O-CB 3.24Å; F391-S395 PolarHBondContact O-N 3.39Å; F391-S395 PolarHBondContact O-OG 2.73Å; F392-S395 PolarHBondContact O-N 2.91Å; S395-N397 PolarHBondContact O-N 2.91Å; S395-Y398 PolarHBondContact O-N 2.83Å; S395-Y398 VanDerWaalsContact O-N 3.1Å; S395-Q399 WeakPolarHBondContact O-CB 3.27Å; S395-Q399 PolarHBondContact O-N 3.25Å
396A98.5Very high97.9Very high0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-59.5-34.7175.800000112.1F392 D394 A400 Y455 D458 K462F392-A396 WeakPolarHBondContact O-CB 3.36Å; F392-A396 PolarHBondContact O-N 3.32Å; D394-A396 PolarHBondContact O-N 3.37Å; A396-A400 WeakPolarHBondContact O-CB 3.22Å; A396-A400 PolarHBondContact O-N 3.13Å; A396-Y455 HydrophobicContact CB-CD2 4.11Å; A396-Y455 HydrophobicContact CB-CE2 3.87Å; A396-D458 HydrophobicContact CB-CB 4.12Å; A396-K462 HydrophobicContact CB-CD 4Å
397N98.2Very high98Very high63 Ų6342 Ų4234%0.33721%0.209SC..Hα-helixtrans-72.7-33.4176.6-64.2-34.5000112.7K393 D394 S395 K401 K462K393-N397 PolarHBondContact O-N 2.8Å; K393-N397 PolarHBondContact O-ND2 2.75Å; K393-N397 VanDerWaalsContact O-ND2 3.12Å; D394-N397 WeakPolarHBondContact O-CB 3.33Å; D394-N397 PolarHBondContact O-N 2.83Å; D394-N397 VanDerWaalsContact O-N 3.07Å; S395-N397 PolarHBondContact O-N 2.91Å; N397-K401 WeakPolarHBondContact O-CE 3.43Å; N397-K462 WeakPolarHBondContact OD1-CE 3.21Å; N397-K462 PolarHBondContact OD1-NZ 2.98Å
398Y97.6Very high98Very high39 Ų3941.8 Ų41.815%0.15321%0.208CC..Hα-helixtrans-70.7-45.2171.9-66.7-53.4000111.4Y369 Y373 Y374 D394 S395 A400 K401Y369-Y398 HydrophobicContact CD1-CD1 4.24Å; Y369-Y398 AromaticContact CD1-CD2 3.92Å; Y369-Y398 HydrophobicContact CD1-CD2 3.92Å; Y369-Y398 HydrophobicContact CD1-CE2 4.27Å; Y369-Y398 AromaticContact CD1-CG 3.92Å; Y369-Y398 HydrophobicContact CD1-CG 3.92Å; Y369-Y398 AromaticContact CE1-CD1 3.63Å; Y369-Y398 HydrophobicContact CE1-CD1 3.63Å; Y369-Y398 HydrophobicContact CE1-CD2 4.07Å; Y369-Y398 HydrophobicContact CE1-CE1 4.22Å; Y369-Y398 AromaticContact CE1-CG 3.57Å; Y369-Y398 HydrophobicContact CE1-CG 3.57Å; Y373-Y398 PolarHBondContact O-OH 2.62Å; Y374-Y398 HydrophobicContact CE1-CD2 4.44Å; Y374-Y398 HydrophobicContact CE1-CE2 4.11Å; D394-Y398 HydrophobicContact CB-CE2 4.31Å; D394-Y398 WeakPolarHBondContact O-CD2 3.31Å; D394-Y398 PolarHBondContact O-N 2.94Å; S395-Y398 PolarHBondContact O-N 2.83Å; S395-Y398 VanDerWaalsContact O-N 3.1Å; Y398-A400 VanDerWaalsContact C-N 3.35Å; Y398-A400 PolarHBondContact O-N 2.84Å; Y398-K401 WeakPolarHBondContact O-CB 3.41Å; Y398-K401 PolarHBondContact O-N 3.36Å; Y398-K401 VanDerWaalsContact O-N 3.14Å
399Q97Very high98Very high0 Ų041.7 Ų41.70%021%0.208CC..Hα-helixtrans-64-37.8-178.3-165.1-177.468.200112.2M346 S395 K401 M402 F406 S408 Y455 L464M346-Q399 HydrophobicContact CE-CB 3.99Å; S395-Q399 WeakPolarHBondContact O-CB 3.27Å; S395-Q399 PolarHBondContact O-N 3.25Å; Q399-K401 PolarHBondContact O-N 2.96Å; Q399-M402 HydrophobicContact CG-SD 4.16Å; Q399-M402 VanDerWaalsContact O-CB 3.32Å; Q399-M402 WeakPolarHBondContact O-CB 3.39Å; Q399-M402 WeakPolarHBondContact O-CG 3.43Å; Q399-M402 PolarHBondContact O-N 3.01Å; Q399-F406 HydrophobicContact CG-CE2 3.69Å; Q399-F406 HydrophobicContact CG-CZ 3.72Å; Q399-S408 PolarHBondContact NE2-OG 3.12Å; Q399-Y455 PolarHBondContact NE2-OH 2.84Å; Q399-Y455 PolarHBondContact OE1-OH 3.12Å; Q399-L464 HydrophobicContact CB-CD1 4.38Å; Q399-L464 HydrophobicContact CG-CD1 4.16Å
400A96.5Very high98Very high46 Ų4639.5 Ų39.538%0.3820%0.198SC..THydrogen-bonded Turntrans-61.6-13.8176.100000114.8A396 Y398 K462 L464A396-A400 WeakPolarHBondContact O-CB 3.22Å; A396-A400 PolarHBondContact O-N 3.13Å; Y398-A400 VanDerWaalsContact C-N 3.35Å; Y398-A400 PolarHBondContact O-N 2.84Å; A400-K462 HydrophobicContact CB-CB 4.4Å; A400-K462 HydrophobicContact CB-CD 4.08Å; A400-K462 HydrophobicContact CB-CG 4.43Å; A400-L464 HydrophobicContact CB-CD1 4.31Å
401K96.7Very high98Very high160 Ų16037.4 Ų37.470%0.69619%0.187SC*.THydrogen-bonded Turntrans-93.3-6.7176.5-60.3169.5-174.7173.50112.6N397 Y398 Q399N397-K401 WeakPolarHBondContact O-CE 3.43Å; Y398-K401 WeakPolarHBondContact O-CB 3.41Å; Y398-K401 PolarHBondContact O-N 3.36Å; Y398-K401 VanDerWaalsContact O-N 3.14Å; Q399-K401 PolarHBondContact O-N 2.96Å
402M97Very high98Very high34 Ų3437.3 Ų37.317%0.16719%0.187CC..SBendtrans-71.9145.5178.4-63.5-174.289.800111.2D344 Q399 F406D344-M402 HydrophobicContact CB-CE 4.08Å; D344-M402 WeakPolarHBondContact OD2-CE 3.33Å; Q399-M402 HydrophobicContact CG-SD 4.16Å; Q399-M402 VanDerWaalsContact O-CB 3.32Å; Q399-M402 WeakPolarHBondContact O-CB 3.39Å; Q399-M402 WeakPolarHBondContact O-CG 3.43Å; Q399-M402 PolarHBondContact O-N 3.01Å; M402-F406 HydrophobicContact CB-CB 4.3Å; M402-F406 HydrophobicContact CB-CD1 3.7Å; M402-F406 HydrophobicContact CB-CE1 4.17Å; M402-F406 HydrophobicContact CB-CG 4.04Å; M402-F406 HydrophobicContact CE-CB 3.6Å; M402-F406 HydrophobicContact CE-CD2 4.33Å; M402-F406 HydrophobicContact CE-CG 4.09Å; M402-F406 HydrophobicContact SD-CB 3.93Å; M402-F406 HydrophobicContact SD-CD1 4.24Å; M402-F406 HydrophobicContact SD-CD2 3.71Å; M402-F406 HydrophobicContact SD-CE2 4.24Å; M402-F406 HydrophobicContact SD-CG 3.72Å
403K96.1Very high97.9Very high182 Ų18237.6 Ų37.679%0.79119%0.188SC*.PPolyproline II helixtrans-82.7128.4169.3-66.1-175.5179.3-178.40109
404S96.5Very high97.9Very high70 Ų7031.4 Ų31.449%0.4916%0.162SC..SBendtrans-69.6147.9171.4-55.50000111.3N248N248-S404 PolarHBondContact ND2-OG 2.96Å; N248-S404 WeakPolarHBondContact OD1-CA 3.28Å; N248-S404 VanDerWaalsContact OD1-CB 3.22Å; N248-S404 WeakPolarHBondContact OD1-CB 3.3Å; N248-S404 PolarHBondContact OD1-OG 3.42Å; N248-S404 VanDerWaalsContact OD1-OG 3.14Å
405P98.1Very high97.8Very high24 Ų2429.9 Ų29.916%0.15615%0.154CC..SBendcis-76.1145.6-7.933.3-34.7000111.9K246 N248 Y341 K342K246-P405 HydrophobicContact CD-CG 4.03Å; N248-P405 VanDerWaalsContact OD1-CA 3.31Å; N248-P405 WeakPolarHBondContact OD1-CA 2.91Å; Y341-P405 WeakPolarHBondContact CA-O 3.45Å; Y341-P405 HydrophobicContact CD1-CB 4.01Å; Y341-P405 HydrophobicContact CD2-CB 4Å; Y341-P405 HydrophobicContact CD2-CG 3.79Å; Y341-P405 HydrophobicContact CE1-CB 3.73Å; Y341-P405 HydrophobicContact CE2-CB 3.72Å; Y341-P405 HydrophobicContact CE2-CG 3.77Å; Y341-P405 HydrophobicContact CG-CB 4.12Å; Y341-P405 HydrophobicContact CG-CG 4.2Å; K342-P405 PolarHBondContact N-O 3.41Å
406F98.8Very high97.6Very high0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-131.6157.3173.863.6-102.5000112.6N248 I249 I250 K342 Q399 M402 L464N248-F406 CarbonylContact C-O 3.46Å; N248-F406 WeakPolarHBondContact CA-O 3.41Å; N248-F406 HydrophobicContact CB-CD1 4.1Å; N248-F406 HydrophobicContact CB-CD2 4.16Å; N248-F406 HydrophobicContact CB-CE1 3.85Å; N248-F406 HydrophobicContact CB-CE2 3.9Å; N248-F406 HydrophobicContact CB-CG 4.25Å; N248-F406 HydrophobicContact CB-CZ 3.74Å; N248-F406 VanDerWaalsContact CG-CD1 3.46Å; N248-F406 VanDerWaalsContact ND2-CE1 3.26Å; N248-F406 WeakPolarHBondContact ND2-CE1 3.42Å; N248-F406 VanDerWaalsContact OD1-CD1 3.23Å; N248-F406 WeakPolarHBondContact OD1-CD1 3.48Å; N248-F406 WeakPolarHBondContact OD1-CE1 3.26Å; N248-F406 PolarHBondContact OD1-N 3.39Å; N248-F406 VanDerWaalsContact OD1-N 3.12Å; I249-F406 PolarHBondContact N-O 3.36Å; I250-F406 HydrophobicContact CD1-CE2 4.27Å; I250-F406 HydrophobicContact CD1-CZ 4.35Å; I250-F406 HydrophobicContact CG1-CE2 3.85Å; I250-F406 HydrophobicContact CG1-CZ 4.41Å; K342-F406 CarbonylContact O-C 3.58Å; K342-F406 WeakPolarHBondContact O-CA 3.5Å; K342-F406 WeakPolarHBondContact O-CB 3.43Å; Q399-F406 HydrophobicContact CG-CE2 3.69Å; Q399-F406 HydrophobicContact CG-CZ 3.72Å; M402-F406 HydrophobicContact CB-CB 4.3Å; M402-F406 HydrophobicContact CB-CD1 3.7Å; M402-F406 HydrophobicContact CB-CE1 4.17Å; M402-F406 HydrophobicContact CB-CG 4.04Å; M402-F406 HydrophobicContact CE-CB 3.6Å; M402-F406 HydrophobicContact CE-CD2 4.33Å; M402-F406 HydrophobicContact CE-CG 4.09Å; M402-F406 HydrophobicContact SD-CB 3.93Å; M402-F406 HydrophobicContact SD-CD1 4.24Å; M402-F406 HydrophobicContact SD-CD2 3.71Å; M402-F406 HydrophobicContact SD-CE2 4.24Å; M402-F406 HydrophobicContact SD-CG 3.72Å; F406-L464 HydrophobicContact CE1-CD2 4.07Å; F406-L464 HydrophobicContact CZ-CD2 4.15Å
407Y98.9Very high97.3Very high0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans-109.4126.1165.9174.4-98.1000107.9I249 K251 D308 L331 P332 L335 K342 S343 D344 I365 H409 M471I249-Y407 HydrophobicContact CB-CD2 3.97Å; I249-Y407 HydrophobicContact CG2-CD2 3.64Å; I249-Y407 HydrophobicContact CG2-CE2 3.95Å; I249-Y407 CarbonylContact O-C 3.49Å; I249-Y407 WeakPolarHBondContact O-CA 3.5Å; K251-Y407 WeakPolarHBondContact CD-OH 3.24Å; D308-Y407 PolarHBondContact OD1-OH 3.23Å; D308-Y407 PolarHBondContact OD2-OH 3.37Å; L331-Y407 HydrophobicContact CD2-CE2 3.93Å; L331-Y407 HydrophobicContact CG-CE2 4.47Å; P332-Y407 HydrophobicContact CB-CD1 3.99Å; P332-Y407 HydrophobicContact CB-CE1 4.21Å; P332-Y407 HydrophobicContact CG-CE1 4.5Å; L335-Y407 HydrophobicContact CD1-CD2 3.92Å; L335-Y407 HydrophobicContact CD1-CG 4.25Å; K342-Y407 PolarHBondContact O-N 2.76Å; S343-Y407 CarbonylContact C-O 3.51Å; S343-Y407 WeakPolarHBondContact CA-O 3.34Å; D344-Y407 PolarHBondContact N-O 2.64Å; I365-Y407 HydrophobicContact CD1-CE1 4.39Å; Y407-H409 HydrophobicContact CE1-CB 4.18Å; Y407-M471 HydrophobicContact CE2-CE 4.02Å
408S98.9Very high97.1Very high0 Ų029.8 Ų29.80%015%0.153CC..EExtended strand (participates in β ladder)trans-136.3128.3-177.3-177.90000110I249 I250 K251 D344 Q399I249-S408 PolarHBondContact O-N 3.48Å; I250-S408 CarbonylContact C-O 3.5Å; I250-S408 WeakPolarHBondContact CA-O 3.45Å; K251-S408 PolarHBondContact N-O 3.42Å; D344-S408 WeakPolarHBondContact O-CA 3.13Å; D344-S408 VanDerWaalsContact OD1-CA 3.31Å; D344-S408 WeakPolarHBondContact OD1-CA 3.35Å; D344-S408 WeakPolarHBondContact OD1-CB 3.42Å; D344-S408 PolarHBondContact OD1-OG 3.02Å; Q399-S408 PolarHBondContact NE2-OG 3.12Å
409H98.9Very high97Very high0 Ų028.1 Ų28.10%015%0.146CC..EExtended strand (participates in β ladder)trans-120.4117.3-175.9179.1-158.8000110.9K251 H253 E304 D344 V345 M346 Y407K251-H409 HydrophobicContact CB-CB 4.2Å; K251-H409 HydrophobicContact CD-CB 4.32Å; K251-H409 VanDerWaalsContact CD-CD2 3.43Å; K251-H409 WeakPolarHBondContact CD-CD2 3.25Å; K251-H409 WeakPolarHBondContact CE-NE2 3.38Å; K251-H409 CarbonylContact O-C 3.59Å; K251-H409 WeakPolarHBondContact O-CA 3.45Å; H253-H409 AromaticContact ND1-NE2 3.92Å; E304-H409 IonicContact OE2-CE1 2.73Å; D344-H409 PolarHBondContact O-N 3.31Å; V345-H409 CarbonylContact C-O 3.07Å; V345-H409 VanDerWaalsContact CA-O 3.27Å; V345-H409 WeakPolarHBondContact CA-O 3.26Å; V345-H409 HydrophobicContact CG2-CB 4.16Å; M346-H409 PolarHBondContact N-O 2.94Å; Y407-H409 HydrophobicContact CE1-CB 4.18Å
410L98.9Very high96.8Very high0 Ų031.4 Ų31.40%017%0.167CC..EExtended strand (participates in β ladder)trans-111.6126.2-177.4-61.791.6000110.2I250 K251 H253 M346 F391 F392 Y455I250-L410 HydrophobicContact CG2-CD1 3.91Å; K251-L410 PolarHBondContact O-N 2.9Å; H253-L410 WeakPolarHBondContact CB-O 3.5Å; H253-L410 PolarHBondContact N-O 2.99Å; M346-L410 HydrophobicContact CB-CG 4.26Å; M346-L410 WeakPolarHBondContact O-CA 3.43Å; M346-L410 HydrophobicContact SD-CD2 4.44Å; F391-L410 HydrophobicContact CE1-CB 4.16Å; F391-L410 HydrophobicContact CZ-CB 4.06Å; F391-L410 HydrophobicContact CZ-CD2 4.45Å; F392-L410 HydrophobicContact CD1-CD2 3.91Å; F392-L410 HydrophobicContact CE1-CB 4.2Å; F392-L410 HydrophobicContact CE1-CD2 4.09Å; L410-Y455 HydrophobicContact CD1-CE1 4.49Å; L410-Y455 VanDerWaalsContact CD1-OH 3.29Å; L410-Y455 WeakPolarHBondContact CD1-OH 3.36Å; L410-Y455 HydrophobicContact CD2-CE1 4.17Å; L410-Y455 HydrophobicContact CD2-CE2 3.76Å; L410-Y455 VanDerWaalsContact CD2-CZ 3.49Å; L410-Y455 VanDerWaalsContact CD2-OH 3.29Å; L410-Y455 WeakPolarHBondContact CD2-OH 3.44Å
411I98.8Very high96.8Very high0 Ų030.2 Ų30.20%015%0.153CC..EExtended strand (participates in β ladder)trans-116.9113.7-175.8-51.2164.5000109.4H253 T300 E304 V345 M346 H347 F391H253-I411 HydrophobicContact CB-CB 4.47Å; H253-I411 HydrophobicContact CB-CG1 4.25Å; H253-I411 HydrophobicContact CB-CG2 4.48Å; T300-I411 HydrophobicContact CG2-CG2 4.31Å; E304-I411 HydrophobicContact CG-CD1 4.4Å; E304-I411 VanDerWaalsContact OE2-CD1 3.26Å; E304-I411 WeakPolarHBondContact OE2-CD1 3.45Å; V345-I411 HydrophobicContact CG1-CD1 3.91Å; M346-I411 PolarHBondContact O-N 2.9Å; H347-I411 HydrophobicContact CB-CB 4.32Å; H347-I411 VanDerWaalsContact CE1-CG2 3.42Å; H347-I411 WeakPolarHBondContact CE1-CG2 3.35Å; H347-I411 WeakPolarHBondContact ND1-CB 3.39Å; H347-I411 WeakPolarHBondContact ND1-CG2 3.47Å; H347-I411 PolarHBondContact ND1-O 2.93Å; F391-I411 WeakPolarHBondContact CE1-O 3.4Å
412T98.7Very high96.7Very high0 Ų025.8 Ų25.80%014%0.138CC..  trans-76.7167.4179.153.60000112.5H253 L254 E255 D388 F391 F392 L448H253-T412 PolarHBondContact O-N 2.92Å; H253-T412 PolarHBondContact O-OG1 2.77Å; L254-T412 WeakPolarHBondContact CA-OG1 3.28Å; E255-T412 WeakPolarHBondContact CB-O 3.16Å; E255-T412 PolarHBondContact N-OG1 2.82Å; D388-T412 WeakPolarHBondContact OD1-CA 3.28Å; D388-T412 WeakPolarHBondContact OD1-CB 3.49Å; F391-T412 HydrophobicContact CE1-CG2 4.45Å; F392-T412 HydrophobicContact CE1-CG2 3.99Å; F392-T412 HydrophobicContact CE2-CG2 3.56Å; F392-T412 HydrophobicContact CZ-CG2 3.18Å; T412-L448 HydrophobicContact CG2-CD1 3.66Å
413L96.2Very high96.6Very high7 Ų733 Ų334%0.03717%0.171CC..  trans-146.1-20.9-174.7-80171.4000115.8H347 G348 D349 L384 D388 N415 H416H347-L413 WeakPolarHBondContact CE1-CD2 3.5Å; H347-L413 WeakPolarHBondContact CE1-CG 3.22Å; G348-L413 WeakPolarHBondContact O-CD1 3.36Å; D349-L413 HydrophobicContact CB-CD1 3.62Å; L384-L413 HydrophobicContact CD2-CD2 4.11Å; D388-L413 PolarHBondContact OD1-N 3.07Å; L413-N415 PolarHBondContact O-N 2.49Å; L413-H416 WeakPolarHBondContact O-CB 3.36Å; L413-H416 PolarHBondContact O-N 2.95Å
414T97.6Very high96.5Very high3 Ų331.4 Ų31.42%0.01816%0.164CC..THydrogen-bonded Turntrans-66.7-34.4-172-56.60000111.4V382 K387 D388 H416 L421 Y447V382-T414 HydrophobicContact CG1-CG2 3.89Å; K387-T414 WeakPolarHBondContact CA-OG1 3.02Å; D388-T414 VanDerWaalsContact CG-OG1 3.25Å; D388-T414 PolarHBondContact N-OG1 2.8Å; D388-T414 PolarHBondContact OD1-N 2.89Å; D388-T414 WeakPolarHBondContact OD2-CB 3.43Å; D388-T414 PolarHBondContact OD2-N 3.45Å; D388-T414 PolarHBondContact OD2-OG1 3.26Å; T414-H416 PolarHBondContact O-N 3.37Å; T414-L421 HydrophobicContact CG2-CD1 3.83Å; T414-Y447 HydrophobicContact CG2-CD1 3.48Å; T414-Y447 VanDerWaalsContact CG2-CD1 3.48Å; T414-Y447 HydrophobicContact CG2-CE1 3.82Å; T414-Y447 HydrophobicContact CG2-CG 4.15Å
415N97.6Very high96.5Very high0 Ų029.7 Ų29.70%015%0.149CC..THydrogen-bonded Turntrans-80.741174.3-164.148.3000113.1E255 S256 L413 F419 Y441 T444 A445 L448E255-N415 WeakPolarHBondContact O-CB 3.39Å; E255-N415 PolarHBondContact O-ND2 3.34Å; S256-N415 WeakPolarHBondContact CB-O 3.34Å; L413-N415 PolarHBondContact O-N 2.49Å; N415-F419 VanDerWaalsContact O-CE1 3.28Å; N415-F419 WeakPolarHBondContact O-CE1 3.45Å; N415-Y441 WeakPolarHBondContact ND2-CE2 3.47Å; N415-T444 WeakPolarHBondContact OD1-CB 3.38Å; N415-T444 PolarHBondContact OD1-OG1 2.96Å; N415-A445 PolarHBondContact OD1-N 3.32Å; N415-A445 VanDerWaalsContact OD1-N 3.13Å; N415-L448 HydrophobicContact CB-CB 4.13Å; N415-L448 HydrophobicContact CB-CD2 3.75Å; N415-L448 HydrophobicContact CB-CG 4.49Å
416H94.7Very high96.5Very high26 Ų2629.8 Ų29.812%0.1215%0.152CC..  trans-103.1144.2178.2-170.3-77.7000111.4E255 N383 L413 T414 F419E255-H416 HydrophobicContact CG-CB 3.93Å; E255-H416 IonicContact OE1-CD2 2.88Å; E255-H416 PolarHBondContact OE1-CD2 3.48Å; N383-H416 PolarHBondContact ND2-O 3.41Å; L413-H416 WeakPolarHBondContact O-CB 3.36Å; L413-H416 PolarHBondContact O-N 2.95Å; T414-H416 PolarHBondContact O-N 3.37Å; H416-F419 PolarHBondContact O-N 3.46Å
417Y92.1Very high96.5Very high10 Ų1032.9 Ų32.94%0.03917%0.171CC..THydrogen-bonded Turntrans-53135.1175.4-179.1-94000111.4F93 A115 A118 N383 F419 T437F93-Y417 AromaticContact CD2-CD1 3.62Å; F93-Y417 HydrophobicContact CD2-CD1 3.62Å; F93-Y417 HydrophobicContact CD2-CD2 4.08Å; F93-Y417 AromaticContact CD2-CE1 3.82Å; F93-Y417 HydrophobicContact CD2-CE1 3.82Å; F93-Y417 HydrophobicContact CD2-CE2 4.29Å; F93-Y417 AromaticContact CD2-CG 3.77Å; F93-Y417 HydrophobicContact CD2-CG 3.77Å; F93-Y417 AromaticContact CE2-CD1 3.44Å; F93-Y417 HydrophobicContact CE2-CD1 3.44Å; F93-Y417 VanDerWaalsContact CE2-CD1 3.44Å; F93-Y417 HydrophobicContact CE2-CD2 4.01Å; F93-Y417 HydrophobicContact CE2-CE1 4.13Å; F93-Y417 AromaticContact CE2-CG 3.37Å; F93-Y417 HydrophobicContact CE2-CG 3.37Å; F93-Y417 HydrophobicContact CG-CE1 4.49Å; F93-Y417 HydrophobicContact CZ-CD1 4.2Å; F93-Y417 HydrophobicContact CZ-CG 4.33Å; A115-Y417 HydrophobicContact CB-CD1 3.68Å; A115-Y417 HydrophobicContact CB-CE1 3.89Å; A115-Y417 WeakPolarHBondContact O-CE1 3.3Å; A118-Y417 VanDerWaalsContact C-OH 3.29Å; A118-Y417 HydrophobicContact CB-CE1 3.76Å; A118-Y417 WeakPolarHBondContact CB-OH 3.4Å; A118-Y417 PolarHBondContact O-OH 3.28Å; N383-Y417 PolarHBondContact ND2-O 3.37Å; Y417-F419 HydrophobicContact CD2-CD2 4.29Å; Y417-F419 AromaticContact CD2-CE2 3.87Å; Y417-F419 HydrophobicContact CD2-CE2 3.87Å; Y417-T437 HydrophobicContact CD2-CG2 3.81Å; Y417-T437 HydrophobicContact CE2-CG2 3.6Å
418P92.9Very high96.4Very high24 Ų2433.3 Ų33.316%0.15617%0.173CC..THydrogen-bonded Turncis-91.420.215.536.2-35.9000116.2A118 T420A118-P418 HydrophobicContact CB-CB 3.73Å; A118-P418 HydrophobicContact CB-CG 4.21Å; P418-T420 HydrophobicContact CG-CG2 4.15Å
419F95.4Very high96.3Very high4 Ų439 Ų392%0.01820%0.2CC..  trans63.254.8178.4-45.8-63.7000113.5N415 H416 Y417 T437 G440 Y441 T444 G478 I479N415-F419 VanDerWaalsContact O-CE1 3.28Å; N415-F419 WeakPolarHBondContact O-CE1 3.45Å; H416-F419 PolarHBondContact O-N 3.46Å; Y417-F419 HydrophobicContact CD2-CD2 4.29Å; Y417-F419 AromaticContact CD2-CE2 3.87Å; Y417-F419 HydrophobicContact CD2-CE2 3.87Å; F419-T437 HydrophobicContact CD2-CG2 3.54Å; F419-T437 HydrophobicContact CE2-CG2 3.68Å; F419-G440 CarbonylContact O-C 3.54Å; F419-G440 WeakPolarHBondContact O-CA 3.3Å; F419-Y441 AromaticContact CD1-CD2 3.55Å; F419-Y441 HydrophobicContact CD1-CD2 3.55Å; F419-Y441 HydrophobicContact CD1-CE2 4.24Å; F419-Y441 HydrophobicContact CD2-CD2 4.02Å; F419-Y441 HydrophobicContact CD2-CG 4.39Å; F419-Y441 AromaticContact CE1-CD2 3.48Å; F419-Y441 HydrophobicContact CE1-CD2 3.48Å; F419-Y441 VanDerWaalsContact CE1-CD2 3.48Å; F419-Y441 AromaticContact CE1-CE2 3.77Å; F419-Y441 HydrophobicContact CE1-CE2 3.77Å; F419-Y441 AromaticContact CE2-CD2 3.98Å; F419-Y441 HydrophobicContact CE2-CD2 3.98Å; F419-Y441 AromaticContact CG-CD2 3.82Å; F419-Y441 HydrophobicContact CG-CD2 3.82Å; F419-Y441 HydrophobicContact CG-CG 4.41Å; F419-Y441 AromaticContact CZ-CD2 3.72Å; F419-Y441 HydrophobicContact CZ-CD2 3.72Å; F419-Y441 HydrophobicContact CZ-CE2 4Å; F419-T444 HydrophobicContact CB-CG2 4.15Å; F419-G478 WeakPolarHBondContact CE2-O 3.46Å; F419-G478 VanDerWaalsContact CZ-O 3.31Å; F419-G478 WeakPolarHBondContact CZ-O 3.42Å; F419-I479 HydrophobicContact CD2-CD1 4.26Å; F419-I479 HydrophobicContact CE2-CD1 3.77Å
420T93.9Very high96.2Very high70 Ų7044.2 Ų44.243%0.42922%0.222SC..  trans-99.2143.1174.752.70000110.2V382 P418V382-T420 WeakPolarHBondContact CG2-O 3.49Å; P418-T420 HydrophobicContact CG-CG2 4.15Å
421L95.6Very high96Very high20 Ų2044.6 Ų44.611%0.10523%0.225CC..  trans-146.9141.6177.9-168.165.4000108.9T414 D425 A426 Q443 T444 Y447T414-L421 HydrophobicContact CG2-CD1 3.83Å; L421-D425 HydrophobicContact CD1-CB 3.87Å; L421-D425 HydrophobicContact CD2-CB 4.27Å; L421-D425 HydrophobicContact CG-CB 3.93Å; L421-A426 HydrophobicContact CD2-CB 4.17Å; L421-Q443 HydrophobicContact CD2-CB 4.21Å; L421-T444 HydrophobicContact CB-CG2 4.04Å; L421-Y447 HydrophobicContact CD1-CD2 4.18Å; L421-Y447 HydrophobicContact CD1-CG 4.24Å; L421-Y447 HydrophobicContact CD2-CD2 4.22Å; L421-Y447 HydrophobicContact CD2-CG 4.33Å
422D94.8Very high95.9Very high68 Ų6851.4 Ų51.436%0.36426%0.261SS..  trans-65.6142.8174-62.8-28.4000109.8K387 K424 D425 A426K387-D422 IonicContact NZ-OD2 3.21Å; K387-D422 PolarHBondContact NZ-OD2 3.43Å; D422-K424 HydrophobicContact CB-CG 3.97Å; D422-K424 PolarHBondContact O-N 3.12Å; D422-K424 VanDerWaalsContact O-N 3.13Å; D422-K424 WeakPolarHBondContact OD2-CE 3.27Å; D422-K424 IonicContact OD2-NZ 2.64Å; D422-D425 PolarHBondContact O-N 3Å; D422-A426 PolarHBondContact O-N 3.14Å
423E94.4Very high95.8Very high185 Ų18551.6 Ų51.686%0.86426%0.263SS*.G310 helixtrans-56.4-34.8-179.7-66.4-177168.700112.9D425 A426E423-D425 PolarHBondContact O-N 3.1Å; E423-A426 PolarHBondContact O-N 2.86Å
424K95.3Very high95.8Very high149 Ų14954.8 Ų54.865%0.64830%0.298SS*.G310 helixtrans-65.1-24.1177.470.6-176179.5-175.20113.9D422D422-K424 HydrophobicContact CB-CG 3.97Å; D422-K424 PolarHBondContact O-N 3.12Å; D422-K424 VanDerWaalsContact O-N 3.13Å; D422-K424 WeakPolarHBondContact OD2-CE 3.27Å; D422-K424 IonicContact OD2-NZ 2.64Å
425D96.9Very high95.7Very high34 Ų3456 Ų5618%0.18230%0.304CS..G310 helixtrans-95.6-12.5-178.4-65.6-40.1000111.5K387 L421 D422 E423 Y447K387-D425 VanDerWaalsContact CE-OD2 3.32Å; K387-D425 WeakPolarHBondContact CE-OD2 3.49Å; K387-D425 IonicContact NZ-OD2 3.43Å; K387-D425 PolarHBondContact NZ-OD2 3.41Å; L421-D425 HydrophobicContact CD1-CB 3.87Å; L421-D425 HydrophobicContact CD2-CB 4.27Å; L421-D425 HydrophobicContact CG-CB 3.93Å; D422-D425 PolarHBondContact O-N 3Å; E423-D425 PolarHBondContact O-N 3.1Å; D425-Y447 HydrophobicContact CB-CD2 4.1Å; D425-Y447 HydrophobicContact CB-CE2 3.9Å; D425-Y447 WeakPolarHBondContact O-CD2 3.37Å
426A97.5Very high95.6Very high26 Ų2659.9 Ų59.922%0.21534%0.336CS..  trans-82.8122.3179.500000112L421 D422 E423 Q443L421-A426 HydrophobicContact CD2-CB 4.17Å; D422-A426 PolarHBondContact O-N 3.14Å; E423-A426 PolarHBondContact O-N 2.86Å; A426-Q443 HydrophobicContact CB-CG 4.47Å
427T98Very high95.6Very high65 Ų6559.3 Ų59.340%0.39933%0.334SS..SBendtrans-104.2-3.3176.658.80000113.3R446 E450T427-R446 VanDerWaalsContact OG1-CG 3.28Å; T427-R446 WeakPolarHBondContact OG1-CG 3.41Å; T427-E450 VanDerWaalsContact CB-OE1 3.3Å; T427-E450 WeakPolarHBondContact CB-OE1 3.09Å; T427-E450 WeakPolarHBondContact CG2-OE2 3.38Å; T427-E450 PolarHBondContact OG1-OE1 3.33Å
428I97.8Very high95.9Very high8 Ų858.8 Ų58.84%0.04133%0.332CS..SBendtrans-130.8152174.4-164.7170.7000109.5V266 K269 I442 Q443 R446V266-I428 HydrophobicContact CB-CD1 4.47Å; K269-I428 HydrophobicContact CB-CD1 3.91Å; K269-I428 HydrophobicContact CB-CG1 4.15Å; K269-I428 HydrophobicContact CD-CG1 4.34Å; I428-I442 HydrophobicContact CD1-CG2 4.18Å; I428-I442 HydrophobicContact CG2-CG2 4.26Å; I428-Q443 HydrophobicContact CG2-CB 4.48Å; I428-Q443 HydrophobicContact CG2-CG 4.1Å; I428-Q443 WeakPolarHBondContact O-CG 2.98Å; I428-Q443 PolarHBondContact O-NE2 2.9Å; I428-R446 HydrophobicContact CB-CB 4.44Å; I428-R446 HydrophobicContact CB-CG 4.08Å; I428-R446 HydrophobicContact CG2-CB 3.56Å; I428-R446 HydrophobicContact CG2-CG 3.66Å
429E96.4Very high96.1Very high121 Ų12158.4 Ų58.457%0.56533%0.329SS*.  trans-71.6153.2170.7-67177.9174.800110.8N267N267-E429 PolarHBondContact ND2-OE2 2.73Å
430K96.6Very high96.2Very high108 Ų10858.2 Ų58.247%0.4733%0.328SS..  trans-60.5154.9167.2-65.4-173.9-179.6177.30110.3D439 Q443K430-D439 WeakPolarHBondContact CA-O 3.49Å; K430-D439 HydrophobicContact CB-CB 4.2Å; K430-D439 WeakPolarHBondContact CB-O 3.41Å; K430-Q443 HydrophobicContact CG-CG 3.84Å
431S95.9Very high96.4Very high8 Ų854.9 Ų54.96%0.05631%0.308CS..  trans-68.8174.815958.10000110.7D439S431-D439 VanDerWaalsContact C-CG 3.47Å; S431-D439 WeakPolarHBondContact CB-OD1 3.21Å; S431-D439 WeakPolarHBondContact O-CB 3.5Å; S431-D439 WeakPolarHBondContact OG-CA 3.38Å; S431-D439 PolarHBondContact OG-OD1 2.69Å
432N95.8Very high96.6Very high143 Ų14354 Ų5477%0.76530%0.303SS*.  trans-126.742.8-17461.5-6.8000111.8G434 D439N432-G434 PolarHBondContact O-N 3.45Å; N432-D439 PolarHBondContact N-OD1 3Å
433T97.2Very high96.7Very high4 Ų451.7 Ų51.73%0.02529%0.29CS..SBendtrans-73.8-19.7179.867.10000112.4D435 V438 D439 A486 K489 L490T433-D435 PolarHBondContact OG1-N 3.01Å; T433-V438 HydrophobicContact CG2-CG1 4.03Å; T433-D439 WeakPolarHBondContact CB-OD1 3.21Å; T433-D439 WeakPolarHBondContact CG2-OD1 3.22Å; T433-D439 PolarHBondContact N-OD1 3.02Å; T433-D439 PolarHBondContact N-OD2 3.33Å; T433-D439 VanDerWaalsContact OG1-CG 3.26Å; T433-D439 PolarHBondContact OG1-OD1 3.14Å; T433-D439 PolarHBondContact OG1-OD2 3.35Å; T433-A486 WeakPolarHBondContact CG2-O 3.37Å; T433-K489 HydrophobicContact CG2-CB 4.18Å; T433-K489 VanDerWaalsContact O-CD 3.26Å; T433-K489 WeakPolarHBondContact O-CD 3.31Å; T433-K489 PolarHBondContact O-NZ 3.03Å; T433-L490 HydrophobicContact CG2-CB 3.86Å
434G95.6Very high96.9Very high75 Ų7542.9 Ų42.977%0.77325%0.249SC*.SBendtrans87.510.3-174.700000113N432 D439N432-G434 PolarHBondContact O-N 3.45Å; G434-D439 PolarHBondContact N-OD2 2.94Å
435D95.5Very high97.1Very high29 Ų2935.8 Ų35.816%0.15522%0.218CC..  trans-119.7113.4175.7-176.3-64.7000108.9T433 T437 V438 D439 H483 A486T433-D435 PolarHBondContact OG1-N 3.01Å; D435-T437 PolarHBondContact O-N 3.42Å; D435-T437 VanDerWaalsContact O-N 3.17Å; D435-T437 WeakPolarHBondContact OD1-CA 3.22Å; D435-T437 VanDerWaalsContact OD1-CB 3.25Å; D435-T437 WeakPolarHBondContact OD1-CB 3.31Å; D435-T437 PolarHBondContact OD1-N 2.88Å; D435-V438 HydrophobicContact CB-CB 4.37Å; D435-V438 HydrophobicContact CB-CG2 4.45Å; D435-V438 PolarHBondContact O-N 3.16Å; D435-V438 PolarHBondContact OD1-N 3.14Å; D435-V438 VanDerWaalsContact OD1-N 3.14Å; D435-D439 PolarHBondContact N-OD2 3.49Å; D435-D439 VanDerWaalsContact O-CB 3.25Å; D435-D439 WeakPolarHBondContact O-CB 3.31Å; D435-D439 PolarHBondContact O-N 3.05Å; D435-H483 IonicContact OD1-CE1 2.86Å; D435-H483 IonicContact OD1-ND1 2.87Å; D435-H483 PolarHBondContact OD1-ND1 3.27Å; D435-H483 VanDerWaalsContact OD1-ND1 3.1Å; D435-H483 IonicContact OD2-CE1 3.17Å; D435-H483 IonicContact OD2-CG 3.77Å; D435-H483 IonicContact OD2-ND1 2.66Å; D435-H483 PolarHBondContact OD2-ND1 3.2Å; D435-A486 HydrophobicContact CB-CB 3.42Å; D435-A486 VanDerWaalsContact CB-CB 3.42Å
436A94.8Very high97.2Very high81 Ų8135.9 Ų35.967%0.66922%0.216SC*.Hα-helixtrans-60.8-28.9-173.500000113.5G440A436-G440 PolarHBondContact O-N 2.7Å
437T95Very high97.2Very high13 Ų1335 Ų358%0.0821%0.207CC..Hα-helixtrans-70.3-51.5177.9-60.90000110.1Y417 F419 D435 Y441 I479Y417-T437 HydrophobicContact CD2-CG2 3.81Å; Y417-T437 HydrophobicContact CE2-CG2 3.6Å; F419-T437 HydrophobicContact CD2-CG2 3.54Å; F419-T437 HydrophobicContact CE2-CG2 3.68Å; D435-T437 PolarHBondContact O-N 3.42Å; D435-T437 VanDerWaalsContact O-N 3.17Å; D435-T437 WeakPolarHBondContact OD1-CA 3.22Å; D435-T437 VanDerWaalsContact OD1-CB 3.25Å; D435-T437 WeakPolarHBondContact OD1-CB 3.31Å; D435-T437 PolarHBondContact OD1-N 2.88Å; T437-Y441 WeakPolarHBondContact O-CB 3.23Å; T437-Y441 PolarHBondContact O-N 3.35Å; T437-I479 HydrophobicContact CG2-CD1 4.08Å
438V98Very high97.3Very high0 Ų032 Ų320%019%0.188CC..Hα-helixtrans-66.1-40.9178.9176.80000111.2T433 D435 Y441 I479 H483 A486 M487 L490T433-V438 HydrophobicContact CG2-CG1 4.03Å; D435-V438 HydrophobicContact CB-CB 4.37Å; D435-V438 HydrophobicContact CB-CG2 4.45Å; D435-V438 PolarHBondContact O-N 3.16Å; D435-V438 PolarHBondContact OD1-N 3.14Å; D435-V438 VanDerWaalsContact OD1-N 3.14Å; V438-Y441 PolarHBondContact O-N 3.28Å; V438-I479 HydrophobicContact CG2-CD1 4.26Å; V438-I479 HydrophobicContact CG2-CG2 4.01Å; V438-H483 HydrophobicContact CG2-CB 3.74Å; V438-A486 HydrophobicContact CB-CB 4.05Å; V438-A486 HydrophobicContact CG1-CB 4.38Å; V438-A486 HydrophobicContact CG2-CB 3.7Å; V438-M487 HydrophobicContact CG1-SD 3.98Å; V438-M487 HydrophobicContact CG2-CG 4.37Å; V438-M487 HydrophobicContact CG2-SD 4.21Å; V438-L490 HydrophobicContact CG1-CB 4.36Å; V438-L490 HydrophobicContact CG1-CD2 3.8Å
439D98.1Very high97.3Very high15 Ų1531.6 Ų31.68%0.0819%0.187CC..Hα-helixtrans-68.6-38.7-178.7-67.9-21.1000112.4K430 S431 N432 T433 G434 D435K430-D439 WeakPolarHBondContact CA-O 3.49Å; K430-D439 HydrophobicContact CB-CB 4.2Å; K430-D439 WeakPolarHBondContact CB-O 3.41Å; S431-D439 VanDerWaalsContact C-CG 3.47Å; S431-D439 WeakPolarHBondContact CB-OD1 3.21Å; S431-D439 WeakPolarHBondContact O-CB 3.5Å; S431-D439 WeakPolarHBondContact OG-CA 3.38Å; S431-D439 PolarHBondContact OG-OD1 2.69Å; N432-D439 PolarHBondContact N-OD1 3Å; T433-D439 WeakPolarHBondContact CB-OD1 3.21Å; T433-D439 WeakPolarHBondContact CG2-OD1 3.22Å; T433-D439 PolarHBondContact N-OD1 3.02Å; T433-D439 PolarHBondContact N-OD2 3.33Å; T433-D439 VanDerWaalsContact OG1-CG 3.26Å; T433-D439 PolarHBondContact OG1-OD1 3.14Å; T433-D439 PolarHBondContact OG1-OD2 3.35Å; G434-D439 PolarHBondContact N-OD2 2.94Å; D435-D439 PolarHBondContact N-OD2 3.49Å; D435-D439 VanDerWaalsContact O-CB 3.25Å; D435-D439 WeakPolarHBondContact O-CB 3.31Å; D435-D439 PolarHBondContact O-N 3.05Å
440G97.6Very high97.5Very high1 Ų127.2 Ų27.21%0.0117%0.166CC..Hα-helixtrans-71.1-34.917400000113.9F419 A436 I442 Q443 T444F419-G440 CarbonylContact O-C 3.54Å; F419-G440 WeakPolarHBondContact O-CA 3.3Å; A436-G440 PolarHBondContact O-N 2.7Å; G440-I442 PolarHBondContact O-N 2.82Å; G440-Q443 PolarHBondContact O-N 2.9Å; G440-T444 PolarHBondContact O-N 3.49Å; G440-T444 VanDerWaalsContact O-N 3.14Å
441Y98.3Very high97.6Very high0 Ų022 Ų220%014%0.144CC..Hα-helixtrans-56.3-34.8-179.9-175.5-120.8000113.1S256 Q258 F260 L261 N415 F419 T437 V438 Q443 T444 A445 I479S256-Y441 VanDerWaalsContact O-CE2 3.29Å; S256-Y441 WeakPolarHBondContact O-CE2 3.35Å; S256-Y441 PolarHBondContact O-OH 3.2Å; Q258-Y441 PolarHBondContact N-OH 3.34Å; Q258-Y441 VanDerWaalsContact N-OH 3.16Å; F260-Y441 AromaticContact CE1-CE1 3.84Å; F260-Y441 HydrophobicContact CE1-CE1 3.84Å; F260-Y441 AromaticContact CZ-CD1 3.9Å; F260-Y441 HydrophobicContact CZ-CD1 3.9Å; F260-Y441 AromaticContact CZ-CE1 3.49Å; F260-Y441 HydrophobicContact CZ-CE1 3.49Å; F260-Y441 VanDerWaalsContact CZ-CE1 3.49Å; L261-Y441 HydrophobicContact CD1-CE1 3.64Å; L261-Y441 HydrophobicContact CD2-CD1 4.31Å; L261-Y441 HydrophobicContact CD2-CE1 4Å; L261-Y441 HydrophobicContact CG-CE1 4.07Å; N415-Y441 WeakPolarHBondContact ND2-CE2 3.47Å; F419-Y441 AromaticContact CD1-CD2 3.55Å; F419-Y441 HydrophobicContact CD1-CD2 3.55Å; F419-Y441 HydrophobicContact CD1-CE2 4.24Å; F419-Y441 HydrophobicContact CD2-CD2 4.02Å; F419-Y441 HydrophobicContact CD2-CG 4.39Å; F419-Y441 AromaticContact CE1-CD2 3.48Å; F419-Y441 HydrophobicContact CE1-CD2 3.48Å; F419-Y441 VanDerWaalsContact CE1-CD2 3.48Å; F419-Y441 AromaticContact CE1-CE2 3.77Å; F419-Y441 HydrophobicContact CE1-CE2 3.77Å; F419-Y441 AromaticContact CE2-CD2 3.98Å; F419-Y441 HydrophobicContact CE2-CD2 3.98Å; F419-Y441 AromaticContact CG-CD2 3.82Å; F419-Y441 HydrophobicContact CG-CD2 3.82Å; F419-Y441 HydrophobicContact CG-CG 4.41Å; F419-Y441 AromaticContact CZ-CD2 3.72Å; F419-Y441 HydrophobicContact CZ-CD2 3.72Å; F419-Y441 HydrophobicContact CZ-CE2 4Å; T437-Y441 WeakPolarHBondContact O-CB 3.23Å; T437-Y441 PolarHBondContact O-N 3.35Å; V438-Y441 PolarHBondContact O-N 3.28Å; Y441-Q443 VanDerWaalsContact C-N 3.32Å; Y441-Q443 PolarHBondContact O-N 3.17Å; Y441-T444 PolarHBondContact O-OG1 3.25Å; Y441-A445 WeakPolarHBondContact O-CB 3.46Å; Y441-A445 PolarHBondContact O-N 2.9Å; Y441-I479 HydrophobicContact CD1-CD1 3.94Å; Y441-I479 HydrophobicContact CD1-CG1 3.85Å; Y441-I479 HydrophobicContact CD2-CD1 4.33Å; Y441-I479 HydrophobicContact CE1-CG1 4.11Å; Y441-I479 HydrophobicContact CG-CD1 3.81Å; Y441-I479 HydrophobicContact CG-CG1 4.23Å
442I98.5Very high97.7Very high0 Ų021.7 Ų21.70%014%0.141CC..Hα-helixtrans-59.3-42.4175.1-59-54.6000111.8L261 V266 V271 I428 G440 R446 L490L261-I442 HydrophobicContact CD2-CD1 4.12Å; V266-I442 HydrophobicContact CB-CG2 4.08Å; V266-I442 HydrophobicContact CG1-CG2 4.33Å; V266-I442 HydrophobicContact CG2-CD1 4.03Å; V266-I442 HydrophobicContact CG2-CG1 4.16Å; V266-I442 HydrophobicContact CG2-CG2 3.88Å; V271-I442 HydrophobicContact CG1-CG2 4.12Å; V271-I442 WeakPolarHBondContact CG1-O 3.35Å; V271-I442 HydrophobicContact CG2-CD1 4.32Å; V271-I442 HydrophobicContact CG2-CG2 3.99Å; I428-I442 HydrophobicContact CD1-CG2 4.18Å; I428-I442 HydrophobicContact CG2-CG2 4.26Å; G440-I442 PolarHBondContact O-N 2.82Å; I442-R446 WeakPolarHBondContact O-CB 3.38Å; I442-R446 PolarHBondContact O-N 3.3Å; I442-R446 VanDerWaalsContact O-N 3.15Å; I442-L490 HydrophobicContact CD1-CD1 4.27Å; I442-L490 HydrophobicContact CD1-CD2 4.07Å
443Q98Very high97.9Very high21 Ų2118.3 Ų18.310%0.09812%0.121CC..Hα-helixtrans-75.1-43.5-177.9-66.5-171.8-5000111.9L421 A426 I428 K430 G440 Y441 R446 Y447L421-Q443 HydrophobicContact CD2-CB 4.21Å; A426-Q443 HydrophobicContact CB-CG 4.47Å; I428-Q443 HydrophobicContact CG2-CB 4.48Å; I428-Q443 HydrophobicContact CG2-CG 4.1Å; I428-Q443 WeakPolarHBondContact O-CG 2.98Å; I428-Q443 PolarHBondContact O-NE2 2.9Å; K430-Q443 HydrophobicContact CG-CG 3.84Å; G440-Q443 PolarHBondContact O-N 2.9Å; Y441-Q443 VanDerWaalsContact C-N 3.32Å; Y441-Q443 PolarHBondContact O-N 3.17Å; Q443-R446 PolarHBondContact O-N 3.04Å; Q443-Y447 PolarHBondContact O-N 3.08Å
444T98.5Very high97.9Very high0 Ų022.6 Ų22.60%014%0.14CC..Hα-helixtrans-68.8-36.3179.655.70000112N415 F419 L421 G440 Y441 R446 Y447 L448N415-T444 WeakPolarHBondContact OD1-CB 3.38Å; N415-T444 PolarHBondContact OD1-OG1 2.96Å; F419-T444 HydrophobicContact CB-CG2 4.15Å; L421-T444 HydrophobicContact CB-CG2 4.04Å; G440-T444 PolarHBondContact O-N 3.49Å; G440-T444 VanDerWaalsContact O-N 3.14Å; Y441-T444 PolarHBondContact O-OG1 3.25Å; T444-R446 VanDerWaalsContact C-N 3.34Å; T444-Y447 PolarHBondContact O-N 3.39Å; T444-L448 WeakPolarHBondContact O-CB 3.26Å; T444-L448 PolarHBondContact O-N 3.41Å
445A98.8Very high98.1Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-65.5-38.8173.400000112.1L261 V271 N415 Y441 L448 D449L261-A445 HydrophobicContact CD1-CB 3.52Å; V271-A445 HydrophobicContact CG1-CB 4.18Å; N415-A445 PolarHBondContact OD1-N 3.32Å; N415-A445 VanDerWaalsContact OD1-N 3.13Å; Y441-A445 WeakPolarHBondContact O-CB 3.46Å; Y441-A445 PolarHBondContact O-N 2.9Å; A445-L448 PolarHBondContact O-N 2.81Å; A445-D449 WeakPolarHBondContact O-CB 3.43Å; A445-D449 PolarHBondContact O-N 3.37Å
446R98.9Very high98.3Very high35 Ų3517.8 Ų17.813%0.13210%0.097CC..Hα-helixtrans-62.3-44.1172.5167.655.388.3140.2-0.2111.8E270 V271 P273 T427 I428 I442 Q443 T444 L448 D449 E450E270-R446 PolarHBondContact O-NE 2.88Å; E270-R446 PolarHBondContact O-NH2 3.49Å; V271-R446 WeakPolarHBondContact O-CA 3.34Å; V271-R446 WeakPolarHBondContact O-CB 3.33Å; V271-R446 VanDerWaalsContact O-CD 3.32Å; V271-R446 WeakPolarHBondContact O-CD 3.35Å; V271-R446 PolarHBondContact O-NE 3.46Å; P273-R446 VanDerWaalsContact CD-NH2 3.28Å; P273-R446 VanDerWaalsContact CG-CZ 3.44Å; T427-R446 VanDerWaalsContact OG1-CG 3.28Å; T427-R446 WeakPolarHBondContact OG1-CG 3.41Å; I428-R446 HydrophobicContact CB-CB 4.44Å; I428-R446 HydrophobicContact CB-CG 4.08Å; I428-R446 HydrophobicContact CG2-CB 3.56Å; I428-R446 HydrophobicContact CG2-CG 3.66Å; I442-R446 WeakPolarHBondContact O-CB 3.38Å; I442-R446 PolarHBondContact O-N 3.3Å; I442-R446 VanDerWaalsContact O-N 3.15Å; Q443-R446 PolarHBondContact O-N 3.04Å; T444-R446 VanDerWaalsContact C-N 3.34Å; R446-L448 VanDerWaalsContact C-N 3.33Å; R446-L448 PolarHBondContact O-N 3.23Å; R446-D449 PolarHBondContact O-N 3.03Å; R446-E450 WeakPolarHBondContact CD-OE1 3.25Å; R446-E450 IonicContact NH1-OE1 2.81Å; R446-E450 PolarHBondContact NH1-OE1 2.64Å; R446-E450 WeakPolarHBondContact O-CG 3.29Å; R446-E450 PolarHBondContact O-N 3.48Å; R446-E450 VanDerWaalsContact O-N 3.09Å
447Y98.8Very high98.5Very high8 Ų816.7 Ų16.73%0.0318%0.08CC..Hα-helixtrans-61.3-42.9177-175.5-85.4000112K387 D388 K389 T414 L421 D425 Q443 T444 E450 A451K387-Y447 HydrophobicContact CB-CE1 4.46Å; K387-Y447 WeakPolarHBondContact CB-OH 3.36Å; D388-Y447 HydrophobicContact CB-CE1 4.14Å; K389-Y447 WeakPolarHBondContact CB-OH 3.37Å; K389-Y447 HydrophobicContact CD-CE2 3.79Å; K389-Y447 HydrophobicContact CG-CE1 3.96Å; K389-Y447 HydrophobicContact CG-CE2 4.13Å; K389-Y447 WeakPolarHBondContact CG-OH 3.41Å; T414-Y447 HydrophobicContact CG2-CD1 3.48Å; T414-Y447 VanDerWaalsContact CG2-CD1 3.48Å; T414-Y447 HydrophobicContact CG2-CE1 3.82Å; T414-Y447 HydrophobicContact CG2-CG 4.15Å; L421-Y447 HydrophobicContact CD1-CD2 4.18Å; L421-Y447 HydrophobicContact CD1-CG 4.24Å; L421-Y447 HydrophobicContact CD2-CD2 4.22Å; L421-Y447 HydrophobicContact CD2-CG 4.33Å; D425-Y447 HydrophobicContact CB-CD2 4.1Å; D425-Y447 HydrophobicContact CB-CE2 3.9Å; D425-Y447 WeakPolarHBondContact O-CD2 3.37Å; Q443-Y447 PolarHBondContact O-N 3.08Å; T444-Y447 PolarHBondContact O-N 3.39Å; Y447-E450 PolarHBondContact O-N 3.18Å; Y447-A451 WeakPolarHBondContact O-CB 3.23Å; Y447-A451 PolarHBondContact O-N 3.06Å
448L98.9Very high98.6Very high1 Ų117.4 Ų17.41%0.0058%0.083CC..Hα-helixtrans-60.3-44.8175.3174.964.5000112.1L254 F257 T412 N415 T444 A445 R446 A451 L452L254-L448 HydrophobicContact CB-CD2 4.07Å; L254-L448 HydrophobicContact CD2-CD1 4.04Å; L254-L448 HydrophobicContact CD2-CD2 4.38Å; L254-L448 HydrophobicContact CD2-CG 4.3Å; F257-L448 HydrophobicContact CB-CD2 4.46Å; F257-L448 HydrophobicContact CD2-CD2 4.22Å; T412-L448 HydrophobicContact CG2-CD1 3.66Å; N415-L448 HydrophobicContact CB-CB 4.13Å; N415-L448 HydrophobicContact CB-CD2 3.75Å; N415-L448 HydrophobicContact CB-CG 4.49Å; T444-L448 WeakPolarHBondContact O-CB 3.26Å; T444-L448 PolarHBondContact O-N 3.41Å; A445-L448 PolarHBondContact O-N 2.81Å; R446-L448 VanDerWaalsContact C-N 3.33Å; R446-L448 PolarHBondContact O-N 3.23Å; L448-A451 PolarHBondContact O-N 2.87Å; L448-L452 WeakPolarHBondContact O-CB 3.38Å; L448-L452 PolarHBondContact O-N 3.41Å
449D98.9Very high98.7Very high1 Ų117.4 Ų17.41%0.0058%0.083CC..Hα-helixtrans-60.3-45177.7-177.278.9000112.1T272 P273 F274 L275 A445 R446 L452 E453T272-D449 VanDerWaalsContact CA-CG 3.41Å; T272-D449 WeakPolarHBondContact CA-OD2 3.43Å; T272-D449 WeakPolarHBondContact CB-OD1 3.4Å; T272-D449 HydrophobicContact CG2-CB 4.24Å; P273-D449 WeakPolarHBondContact CD-OD2 3.12Å; P273-D449 VanDerWaalsContact N-OD2 3.13Å; F274-D449 WeakPolarHBondContact CB-OD2 3.45Å; F274-D449 PolarHBondContact N-OD1 3.09Å; F274-D449 PolarHBondContact N-OD2 3.16Å; L275-D449 WeakPolarHBondContact CB-OD1 3.37Å; L275-D449 VanDerWaalsContact CG-OD1 3.27Å; L275-D449 WeakPolarHBondContact CG-OD1 3.44Å; L275-D449 PolarHBondContact N-OD1 2.84Å; A445-D449 WeakPolarHBondContact O-CB 3.43Å; A445-D449 PolarHBondContact O-N 3.37Å; R446-D449 PolarHBondContact O-N 3.03Å; D449-L452 WeakPolarHBondContact O-CB 3.4Å; D449-L452 PolarHBondContact O-N 3.43Å; D449-E453 PolarHBondContact O-N 3.44Å
450E98.9Very high98.7Very high28 Ų2821.1 Ų21.113%0.13110%0.099CC..Hα-helixtrans-66-42.3176.2-69.4177.7178.900112.3K389 T427 R446 Y447 L452 E453 E454K389-E450 IonicContact NZ-OE2 3.67Å; K389-E450 PolarHBondContact NZ-OE2 2.64Å; T427-E450 VanDerWaalsContact CB-OE1 3.3Å; T427-E450 WeakPolarHBondContact CB-OE1 3.09Å; T427-E450 WeakPolarHBondContact CG2-OE2 3.38Å; T427-E450 PolarHBondContact OG1-OE1 3.33Å; R446-E450 WeakPolarHBondContact CD-OE1 3.25Å; R446-E450 IonicContact NH1-OE1 2.81Å; R446-E450 PolarHBondContact NH1-OE1 2.64Å; R446-E450 WeakPolarHBondContact O-CG 3.29Å; R446-E450 PolarHBondContact O-N 3.48Å; R446-E450 VanDerWaalsContact O-N 3.09Å; Y447-E450 PolarHBondContact O-N 3.18Å; E450-L452 VanDerWaalsContact C-N 3.27Å; E450-L452 PolarHBondContact O-N 3.07Å; E450-E453 PolarHBondContact O-N 3.09Å; E450-E454 WeakPolarHBondContact O-CG 3.48Å; E450-E454 PolarHBondContact O-N 2.99Å
451A98.9Very high98.7Very high0 Ų028.7 Ų28.70%013%0.131CC..Hα-helixtrans-61.7-39.1176.800000111.6D388 K389 F392 Y447 L448 E454 Y455D388-A451 HydrophobicContact CB-CB 3.78Å; K389-A451 HydrophobicContact CB-CB 4.4Å; K389-A451 HydrophobicContact CG-CB 3.59Å; F392-A451 HydrophobicContact CD2-CB 3.86Å; F392-A451 WeakPolarHBondContact CD2-O 3.07Å; F392-A451 HydrophobicContact CE2-CB 4.18Å; Y447-A451 WeakPolarHBondContact O-CB 3.23Å; Y447-A451 PolarHBondContact O-N 3.06Å; L448-A451 PolarHBondContact O-N 2.87Å; A451-E454 PolarHBondContact O-N 3.31Å; A451-Y455 WeakPolarHBondContact O-CB 3.35Å; A451-Y455 PolarHBondContact O-N 3.28Å
452L98.9Very high98.7Very high0 Ų031.8 Ų31.80%015%0.145CC..Hα-helixtrans-65-42.8174177.766.7000111.8I252 L254 F274 L275 L448 D449 E450 Y455 I456 I472I252-L452 HydrophobicContact CD1-CD1 4.09Å; I252-L452 HydrophobicContact CG2-CD1 3.84Å; L254-L452 HydrophobicContact CD1-CD2 4.38Å; L254-L452 HydrophobicContact CD2-CD1 4.46Å; L254-L452 HydrophobicContact CD2-CD2 4.22Å; F274-L452 HydrophobicContact CD1-CB 4.45Å; F274-L452 HydrophobicContact CD1-CD2 3.97Å; F274-L452 HydrophobicContact CD1-CG 3.99Å; F274-L452 HydrophobicContact CE1-CD2 3.97Å; F274-L452 HydrophobicContact CE1-CG 3.79Å; L275-L452 HydrophobicContact CD1-CD2 4.41Å; L275-L452 HydrophobicContact CD2-CD2 3.66Å; L275-L452 HydrophobicContact CG-CD2 4.01Å; L448-L452 WeakPolarHBondContact O-CB 3.38Å; L448-L452 PolarHBondContact O-N 3.41Å; D449-L452 WeakPolarHBondContact O-CB 3.4Å; D449-L452 PolarHBondContact O-N 3.43Å; E450-L452 VanDerWaalsContact C-N 3.27Å; E450-L452 PolarHBondContact O-N 3.07Å; L452-Y455 WeakPolarHBondContact O-CB 3.29Å; L452-Y455 PolarHBondContact O-N 2.95Å; L452-I456 HydrophobicContact CD1-CG1 4.3Å; L452-I456 WeakPolarHBondContact O-CG1 3.29Å; L452-I456 PolarHBondContact O-N 2.85Å; L452-I472 HydrophobicContact CD1-CD1 4.31Å; L452-I472 HydrophobicContact CD2-CD1 4.33Å; L452-I472 HydrophobicContact CD2-CG2 4.06Å
453E98.9Very high98.7Very high73 Ų7334.5 Ų34.534%0.34117%0.173SC..Hα-helixtrans-59.6-47.1175.5-177165.8-148.800111.6F274 D449 E450 Y455 I456 N457F274-E453 HydrophobicContact CB-CB 3.83Å; F274-E453 HydrophobicContact CB-CG 4.33Å; F274-E453 HydrophobicContact CD1-CB 3.99Å; F274-E453 HydrophobicContact CD2-CB 3.69Å; F274-E453 HydrophobicContact CD2-CG 3.53Å; F274-E453 HydrophobicContact CE2-CB 4.27Å; F274-E453 HydrophobicContact CE2-CG 4.01Å; F274-E453 HydrophobicContact CG-CB 3.54Å; F274-E453 HydrophobicContact CG-CG 3.94Å; D449-E453 PolarHBondContact O-N 3.44Å; E450-E453 PolarHBondContact O-N 3.09Å; E453-Y455 VanDerWaalsContact C-N 3.31Å; E453-Y455 PolarHBondContact O-N 3Å; E453-I456 PolarHBondContact O-N 2.9Å; E453-N457 WeakPolarHBondContact O-CB 3.38Å; E453-N457 VanDerWaalsContact O-CG 3.29Å; E453-N457 PolarHBondContact O-N 3.44Å; E453-N457 PolarHBondContact O-ND2 3.26Å; E453-N457 VanDerWaalsContact O-ND2 3.12Å
454E98.9Very high98.7Very high93 Ų9334.3 Ų34.344%0.43517%0.172SC..Hα-helixtrans-57.5-44.6175.7-71.8178.5-147.100111.1K389 E450 A451 N457 D458K389-E454 WeakPolarHBondContact CD-OE1 3.35Å; K389-E454 IonicContact NZ-OE1 2.84Å; K389-E454 PolarHBondContact NZ-OE1 2.71Å; E450-E454 WeakPolarHBondContact O-CG 3.48Å; E450-E454 PolarHBondContact O-N 2.99Å; A451-E454 PolarHBondContact O-N 3.31Å; E454-N457 PolarHBondContact O-N 2.99Å; E454-D458 PolarHBondContact O-N 3.24Å
455Y98.9Very high98.7Very high2 Ų234.8 Ų34.81%0.00817%0.174CC..Hα-helixtrans-61.5-48.4177.1-176.9-117.7000112.9I250 I252 F392 A396 Q399 L410 A451 L452 E453 N457 D458 L459I250-Y455 HydrophobicContact CG2-CE1 4.46Å; I252-Y455 HydrophobicContact CD1-CD1 3.89Å; I252-Y455 HydrophobicContact CD1-CE1 3.68Å; I252-Y455 HydrophobicContact CG1-CD1 4.35Å; I252-Y455 HydrophobicContact CG1-CE1 3.86Å; F392-Y455 HydrophobicContact CB-CD2 3.77Å; F392-Y455 HydrophobicContact CB-CG 4.02Å; F392-Y455 AromaticContact CD1-CD1 3.96Å; F392-Y455 HydrophobicContact CD1-CD1 3.96Å; F392-Y455 AromaticContact CD1-CD2 3.67Å; F392-Y455 HydrophobicContact CD1-CD2 3.67Å; F392-Y455 HydrophobicContact CD1-CE1 4.41Å; F392-Y455 HydrophobicContact CD1-CE2 4.15Å; F392-Y455 AromaticContact CD1-CG 3.56Å; F392-Y455 HydrophobicContact CD1-CG 3.56Å; F392-Y455 HydrophobicContact CE1-CD1 4.06Å; F392-Y455 HydrophobicContact CE1-CE1 4.44Å; F392-Y455 HydrophobicContact CE1-CG 4.11Å; F392-Y455 AromaticContact CG-CD2 3.97Å; F392-Y455 HydrophobicContact CG-CD2 3.97Å; F392-Y455 AromaticContact CG-CG 3.82Å; F392-Y455 HydrophobicContact CG-CG 3.82Å; A396-Y455 HydrophobicContact CB-CD2 4.11Å; A396-Y455 HydrophobicContact CB-CE2 3.87Å; Q399-Y455 PolarHBondContact NE2-OH 2.84Å; Q399-Y455 PolarHBondContact OE1-OH 3.12Å; L410-Y455 HydrophobicContact CD1-CE1 4.49Å; L410-Y455 VanDerWaalsContact CD1-OH 3.29Å; L410-Y455 WeakPolarHBondContact CD1-OH 3.36Å; L410-Y455 HydrophobicContact CD2-CE1 4.17Å; L410-Y455 HydrophobicContact CD2-CE2 3.76Å; L410-Y455 VanDerWaalsContact CD2-CZ 3.49Å; L410-Y455 VanDerWaalsContact CD2-OH 3.29Å; L410-Y455 WeakPolarHBondContact CD2-OH 3.44Å; A451-Y455 WeakPolarHBondContact O-CB 3.35Å; A451-Y455 PolarHBondContact O-N 3.28Å; L452-Y455 WeakPolarHBondContact O-CB 3.29Å; L452-Y455 PolarHBondContact O-N 2.95Å; E453-Y455 VanDerWaalsContact C-N 3.31Å; E453-Y455 PolarHBondContact O-N 3Å; Y455-N457 VanDerWaalsContact C-N 3.27Å; Y455-N457 PolarHBondContact O-N 3.42Å; Y455-D458 CarbonylContact O-C 3.58Å; Y455-D458 WeakPolarHBondContact O-CA 3.21Å; Y455-D458 WeakPolarHBondContact O-CB 3.11Å; Y455-D458 PolarHBondContact O-N 3.43Å; Y455-L459 HydrophobicContact CD1-CD1 4.27Å; Y455-L459 HydrophobicContact CD1-CG 4.46Å; Y455-L459 HydrophobicContact CE1-CD1 3.74Å; Y455-L459 HydrophobicContact CE1-CD2 4.33Å; Y455-L459 HydrophobicContact CE1-CG 4.08Å; Y455-L459 HydrophobicContact CE2-CD2 4.08Å; Y455-L459 HydrophobicContact CE2-CG 4.36Å; Y455-L459 PolarHBondContact O-N 2.9Å
456I98.9Very high98.6Very high2 Ų240.3 Ų40.31%0.0120%0.203CC..Hα-helixtrans-62.2-38.3179.2-66.9-63.4000110.8I252 F274 L452 E453 D458 L459 K460 Y465 I470 I472I252-I456 HydrophobicContact CD1-CD1 4Å; F274-I456 HydrophobicContact CE1-CB 4.46Å; F274-I456 HydrophobicContact CE1-CG1 3.95Å; F274-I456 HydrophobicContact CZ-CB 3.89Å; F274-I456 HydrophobicContact CZ-CG1 3.78Å; F274-I456 HydrophobicContact CZ-CG2 4.02Å; L452-I456 HydrophobicContact CD1-CG1 4.3Å; L452-I456 WeakPolarHBondContact O-CG1 3.29Å; L452-I456 PolarHBondContact O-N 2.85Å; E453-I456 PolarHBondContact O-N 2.9Å; I456-D458 VanDerWaalsContact C-N 3.32Å; I456-L459 HydrophobicContact CD1-CD1 4.21Å; I456-L459 PolarHBondContact O-N 3Å; I456-K460 WeakPolarHBondContact O-CG 3.46Å; I456-K460 PolarHBondContact O-N 3.49Å; I456-K460 VanDerWaalsContact O-N 3.14Å; I456-Y465 HydrophobicContact CG2-CD2 4.13Å; I456-Y465 HydrophobicContact CG2-CE2 3.89Å; I456-I470 HydrophobicContact CD1-CG2 4.21Å; I456-I472 HydrophobicContact CD1-CD1 4.46Å
457N98.8Very high98.5Very high57 Ų5741.6 Ų41.631%0.30521%0.213SC..Hα-helixtrans-65.3-36.6173.9-71.8-33.6000112.1E453 E454 Y455 K460 K461E453-N457 WeakPolarHBondContact O-CB 3.38Å; E453-N457 VanDerWaalsContact O-CG 3.29Å; E453-N457 PolarHBondContact O-N 3.44Å; E453-N457 PolarHBondContact O-ND2 3.26Å; E453-N457 VanDerWaalsContact O-ND2 3.12Å; E454-N457 PolarHBondContact O-N 2.99Å; Y455-N457 VanDerWaalsContact C-N 3.27Å; Y455-N457 PolarHBondContact O-N 3.42Å; N457-K460 WeakPolarHBondContact O-CB 3.43Å; N457-K460 PolarHBondContact O-N 3.34Å; N457-K461 VanDerWaalsContact O-CG 3.31Å; N457-K461 WeakPolarHBondContact O-CG 3.22Å; N457-K461 PolarHBondContact O-N 2.93Å
458D98.8Very high98.5Very high28 Ų2841.2 Ų41.215%0.1521%0.211CC..Hα-helixtrans-67.5-39.3174.5-99.726.6000112.9A396 E454 Y455 I456 K460 K461 K462A396-D458 HydrophobicContact CB-CB 4.12Å; E454-D458 PolarHBondContact O-N 3.24Å; Y455-D458 CarbonylContact O-C 3.58Å; Y455-D458 WeakPolarHBondContact O-CA 3.21Å; Y455-D458 WeakPolarHBondContact O-CB 3.11Å; Y455-D458 PolarHBondContact O-N 3.43Å; I456-D458 VanDerWaalsContact C-N 3.32Å; D458-K460 VanDerWaalsContact C-N 3.27Å; D458-K460 PolarHBondContact O-N 3.11Å; D458-K461 PolarHBondContact O-N 2.88Å; D458-K461 IonicContact OD1-NZ 3.86Å; D458-K462 VanDerWaalsContact O-CB 3.28Å; D458-K462 WeakPolarHBondContact O-CB 3.02Å; D458-K462 WeakPolarHBondContact O-CD 3.35Å; D458-K462 VanDerWaalsContact O-CG 3.27Å; D458-K462 WeakPolarHBondContact O-CG 3.27Å; D458-K462 PolarHBondContact O-N 2.92Å; D458-K462 IonicContact OD2-NZ 3.64Å; D458-K462 PolarHBondContact OD2-NZ 3.24Å
459L98.7Very high98.5Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-59.2-39.9171.8-66.4-175000111.8I250 Y455 I456 G463 L464 Y465 I470I250-L459 HydrophobicContact CD1-CD1 3.96Å; I250-L459 HydrophobicContact CD1-CD2 4.18Å; Y455-L459 HydrophobicContact CD1-CD1 4.27Å; Y455-L459 HydrophobicContact CD1-CG 4.46Å; Y455-L459 HydrophobicContact CE1-CD1 3.74Å; Y455-L459 HydrophobicContact CE1-CD2 4.33Å; Y455-L459 HydrophobicContact CE1-CG 4.08Å; Y455-L459 HydrophobicContact CE2-CD2 4.08Å; Y455-L459 HydrophobicContact CE2-CG 4.36Å; Y455-L459 PolarHBondContact O-N 2.9Å; I456-L459 HydrophobicContact CD1-CD1 4.21Å; I456-L459 PolarHBondContact O-N 3Å; L459-G463 PolarHBondContact O-N 3.31Å; L459-L464 HydrophobicContact CB-CB 4.44Å; L459-L464 HydrophobicContact CD2-CB 4.07Å; L459-L464 HydrophobicContact CD2-CD1 3.95Å; L459-L464 PolarHBondContact O-N 3.5Å; L459-Y465 PolarHBondContact O-N 3.3Å; L459-Y465 VanDerWaalsContact O-N 3.14Å; L459-I470 HydrophobicContact CD1-CD1 3.98Å
460K98.5Very high98.5Very high94 Ų9441.2 Ų41.241%0.40921%0.212SC..Hα-helixtrans-64.4-51.5175.9-70.2171.6-177.7174.60111.2I456 N457 D458 K462 G463 Y465I456-K460 WeakPolarHBondContact O-CG 3.46Å; I456-K460 PolarHBondContact O-N 3.49Å; I456-K460 VanDerWaalsContact O-N 3.14Å; N457-K460 WeakPolarHBondContact O-CB 3.43Å; N457-K460 PolarHBondContact O-N 3.34Å; D458-K460 VanDerWaalsContact C-N 3.27Å; D458-K460 PolarHBondContact O-N 3.11Å; K460-K462 PolarHBondContact O-N 2.95Å; K460-G463 PolarHBondContact O-N 3.07Å; K460-Y465 HydrophobicContact CD-CG 4.48Å; K460-Y465 HydrophobicContact CG-CD1 3.82Å; K460-Y465 HydrophobicContact CG-CD2 3.94Å; K460-Y465 HydrophobicContact CG-CE1 4.46Å; K460-Y465 HydrophobicContact CG-CG 3.52Å
461K98.6Very high98.5Very high160 Ų16039.9 Ų39.970%0.69621%0.206SC*.Hα-helixtrans-58.7-34.7178.9-69.6168.9-167.9165.10112.6N457 D458 G463N457-K461 VanDerWaalsContact O-CG 3.31Å; N457-K461 WeakPolarHBondContact O-CG 3.22Å; N457-K461 PolarHBondContact O-N 2.93Å; D458-K461 PolarHBondContact O-N 2.88Å; D458-K461 IonicContact OD1-NZ 3.86Å; K461-G463 VanDerWaalsContact C-N 3.32Å
462K98Very high98.5Very high65 Ų6539.9 Ų39.928%0.28321%0.206SC..THydrogen-bonded Turntrans-86.72.5-179.7-68.2166.8167.474.30113.4A396 N397 A400 D458 K460 L464A396-K462 HydrophobicContact CB-CD 4Å; N397-K462 WeakPolarHBondContact OD1-CE 3.21Å; N397-K462 PolarHBondContact OD1-NZ 2.98Å; A400-K462 HydrophobicContact CB-CB 4.4Å; A400-K462 HydrophobicContact CB-CD 4.08Å; A400-K462 HydrophobicContact CB-CG 4.43Å; D458-K462 VanDerWaalsContact O-CB 3.28Å; D458-K462 WeakPolarHBondContact O-CB 3.02Å; D458-K462 WeakPolarHBondContact O-CD 3.35Å; D458-K462 VanDerWaalsContact O-CG 3.27Å; D458-K462 WeakPolarHBondContact O-CG 3.27Å; D458-K462 PolarHBondContact O-N 2.92Å; D458-K462 IonicContact OD2-NZ 3.64Å; D458-K462 PolarHBondContact OD2-NZ 3.24Å; K460-K462 PolarHBondContact O-N 2.95Å; K462-L464 HydrophobicContact CB-CD1 4.43Å; K462-L464 HydrophobicContact CB-CG 4.36Å; K462-L464 PolarHBondContact O-N 3.45Å
463G97.7Very high98.5Very high57 Ų5739.9 Ų39.959%0.58821%0.206SC*.THydrogen-bonded Turntrans7015.117900000114.7L459 K460 K461L459-G463 PolarHBondContact O-N 3.31Å; K460-G463 PolarHBondContact O-N 3.07Å; K461-G463 VanDerWaalsContact C-N 3.32Å
464L98.1Very high98.5Very high17 Ų1736.4 Ų36.49%0.08919%0.189CC..  trans-89.1-23179.8-65.4177000112.3Q399 A400 F406 L459 K462 S468Q399-L464 HydrophobicContact CB-CD1 4.38Å; Q399-L464 HydrophobicContact CG-CD1 4.16Å; A400-L464 HydrophobicContact CB-CD1 4.31Å; F406-L464 HydrophobicContact CE1-CD2 4.07Å; F406-L464 HydrophobicContact CZ-CD2 4.15Å; L459-L464 HydrophobicContact CB-CB 4.44Å; L459-L464 HydrophobicContact CD2-CB 4.07Å; L459-L464 HydrophobicContact CD2-CD1 3.95Å; L459-L464 PolarHBondContact O-N 3.5Å; K462-L464 HydrophobicContact CB-CD1 4.43Å; K462-L464 HydrophobicContact CB-CG 4.36Å; K462-L464 PolarHBondContact O-N 3.45Å; L464-S468 VanDerWaalsContact O-CB 3.29Å; L464-S468 WeakPolarHBondContact O-CB 3.17Å; L464-S468 PolarHBondContact O-OG 3.25Å
465Y98.5Very high98.5Very high9 Ų932 Ų324%0.03517%0.169CC..SBendtrans-65.6-49-170.8178.5-95.6000113.9Q284 F285 I456 L459 K460 S468 I470 K511Q284-Y465 PolarHBondContact OE1-OH 2.77Å; F285-Y465 HydrophobicContact CE2-CE2 4.22Å; F285-Y465 HydrophobicContact CZ-CE2 4.46Å; I456-Y465 HydrophobicContact CG2-CD2 4.13Å; I456-Y465 HydrophobicContact CG2-CE2 3.89Å; L459-Y465 PolarHBondContact O-N 3.3Å; L459-Y465 VanDerWaalsContact O-N 3.14Å; K460-Y465 HydrophobicContact CD-CG 4.48Å; K460-Y465 HydrophobicContact CG-CD1 3.82Å; K460-Y465 HydrophobicContact CG-CD2 3.94Å; K460-Y465 HydrophobicContact CG-CE1 4.46Å; K460-Y465 HydrophobicContact CG-CG 3.52Å; Y465-S468 PolarHBondContact O-N 2.86Å; Y465-I470 HydrophobicContact CD2-CD1 3.43Å; Y465-I470 VanDerWaalsContact CD2-CD1 3.43Å; Y465-I470 HydrophobicContact CE2-CD1 3.82Å; Y465-I470 HydrophobicContact CG-CD1 4.25Å; Y465-K511 HydrophobicContact CD2-CD 4.49Å; Y465-K511 HydrophobicContact CE1-CD 3.92Å; Y465-K511 VanDerWaalsContact CE1-CE 3.48Å; Y465-K511 HydrophobicContact CE2-CD 3.8Å; Y465-K511 VanDerWaalsContact CZ-CD 3.47Å; Y465-K511 PolarHBondContact O-NZ 2.94Å
466D97.4Very high98.4Very high116 Ų11632.1 Ų32.162%0.6217%0.169SC*.THydrogen-bonded Turntrans-68.3-42.2-169.7-68.8-33.5000113.1S468 K511D466-S468 VanDerWaalsContact C-N 3.28Å; D466-S468 PolarHBondContact O-N 2.83Å; D466-K511 PolarHBondContact O-NZ 3.21Å
467N96.9Very high98.3Very high62 Ų6233.1 Ų33.133%0.33217%0.173SC..THydrogen-bonded Turntrans-89.117.4-177-164.356.3000114.1K247 N248K247-N467 WeakPolarHBondContact CD-OD1 3.36Å; K247-N467 WeakPolarHBondContact CE-OD1 3.35Å; K247-N467 PolarHBondContact NZ-OD1 2.86Å; N248-N467 PolarHBondContact N-O 3.35Å
468S98.8Very high98Very high0 Ų030.7 Ų30.70%016%0.162CC..EExtended strand (participates in β ladder)trans-119.1138.8180-570000112.2N248 L464 Y465 D466 K511 P513N248-S468 WeakPolarHBondContact CB-OG 3.38Å; N248-S468 CarbonylContact O-C 3.54Å; N248-S468 VanDerWaalsContact O-CA 3.3Å; N248-S468 WeakPolarHBondContact O-CA 3.18Å; L464-S468 VanDerWaalsContact O-CB 3.29Å; L464-S468 WeakPolarHBondContact O-CB 3.17Å; L464-S468 PolarHBondContact O-OG 3.25Å; Y465-S468 PolarHBondContact O-N 2.86Å; D466-S468 VanDerWaalsContact C-N 3.28Å; D466-S468 PolarHBondContact O-N 2.83Å; S468-K511 PolarHBondContact O-NZ 3.36Å; S468-P513 VanDerWaalsContact C-CG 3.48Å; S468-P513 WeakPolarHBondContact O-CD 3.25Å; S468-P513 VanDerWaalsContact O-CG 3.3Å; S468-P513 WeakPolarHBondContact O-CG 3.26Å
469V98.9Very high97.9Very high2 Ų229.5 Ų29.51%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-70.5124.7151.8177.90000106.9A244 N248 I249 I250 I510 K511 I533A244-V469 HydrophobicContact CB-CG2 3.38Å; N248-V469 PolarHBondContact O-N 2.98Å; I249-V469 HydrophobicContact CG1-CB 4.34Å; I250-V469 PolarHBondContact N-O 3.1Å; V469-I510 HydrophobicContact CG1-CD1 3.99Å; V469-I510 HydrophobicContact CG1-CG1 3.99Å; V469-K511 VanDerWaalsContact CA-O 3.25Å; V469-K511 WeakPolarHBondContact CA-O 3.34Å; V469-I533 HydrophobicContact CG1-CD1 4.22Å
470I98.9Very high97.6Very high0 Ų029.7 Ų29.70%016%0.157CC..EExtended strand (participates in β ladder)trans-120.1115.8178.3-54.2177000106.9I250 I252 F285 I456 L459 Y465 I472 I510 K511I250-I470 HydrophobicContact CB-CG1 4.46Å; I250-I470 WeakPolarHBondContact O-CA 3.41Å; I252-I470 HydrophobicContact CD1-CG2 3.69Å; F285-I470 HydrophobicContact CE1-CB 4.07Å; F285-I470 HydrophobicContact CE1-CG2 4.03Å; F285-I470 WeakPolarHBondContact CE1-O 3.31Å; F285-I470 HydrophobicContact CZ-CB 4.12Å; F285-I470 HydrophobicContact CZ-CG2 4.06Å; I456-I470 HydrophobicContact CD1-CG2 4.21Å; L459-I470 HydrophobicContact CD1-CD1 3.98Å; Y465-I470 HydrophobicContact CD2-CD1 3.43Å; Y465-I470 VanDerWaalsContact CD2-CD1 3.43Å; Y465-I470 HydrophobicContact CE2-CD1 3.82Å; Y465-I470 HydrophobicContact CG-CD1 4.25Å; I470-I472 HydrophobicContact CG2-CG1 4.3Å; I470-I510 CarbonylContact O-C 3.6Å; I470-I510 WeakPolarHBondContact O-CA 3.31Å; I470-K511 HydrophobicContact CB-CB 4.31Å; I470-K511 HydrophobicContact CD1-CD 4.33Å; I470-K511 PolarHBondContact N-O 3.49Å; I470-K511 PolarHBondContact O-N 2.81Å
471M98.8Very high97.3Very high1 Ų126 Ų261%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-111.1132.7174.660.2-170.4171.700110.5I249 I250 K251 I252 Y407 F508 W509 I510 V529 I533I249-M471 HydrophobicContact CG2-CE 3.89Å; I250-M471 PolarHBondContact O-N 3.09Å; K251-M471 HydrophobicContact CB-CE 3.44Å; K251-M471 VanDerWaalsContact CB-CE 3.44Å; K251-M471 HydrophobicContact CB-CG 4.03Å; K251-M471 HydrophobicContact CD-CE 3.77Å; K251-M471 HydrophobicContact CG-CE 3.59Å; K251-M471 HydrophobicContact CG-CG 4.12Å; K251-M471 HydrophobicContact CG-SD 4.42Å; I252-M471 PolarHBondContact N-O 3.29Å; Y407-M471 HydrophobicContact CE2-CE 4.02Å; M471-F508 HydrophobicContact CB-CE2 3.79Å; M471-F508 HydrophobicContact CB-CZ 3.98Å; M471-F508 HydrophobicContact SD-CE2 4.46Å; M471-W509 CarbonylContact C-O 3.36Å; M471-W509 VanDerWaalsContact CA-O 3.3Å; M471-W509 WeakPolarHBondContact CA-O 3.18Å; M471-I510 HydrophobicContact CB-CG1 4.41Å; M471-V529 HydrophobicContact SD-CG1 3.8Å; M471-I533 HydrophobicContact CE-CD1 4.4Å; M471-I533 HydrophobicContact CE-CG1 4.3Å; M471-I533 HydrophobicContact SD-CD1 3.66Å; M471-I533 HydrophobicContact SD-CG1 3.93Å
472I98.9Very high96.9Very high0 Ų020.4 Ų20.40%012%0.119CC..EExtended strand (participates in β ladder)trans-125134.9-179.3-49.8173.3000106.7I252 L254 L278 F285 L452 I456 I470 F508 W509I252-I472 HydrophobicContact CB-CG1 4.3Å; I252-I472 HydrophobicContact CD1-CD1 4.36Å; I252-I472 HydrophobicContact CD1-CG1 3.89Å; I252-I472 WeakPolarHBondContact O-CA 3.39Å; L254-I472 HydrophobicContact CD1-CG2 3.56Å; L254-I472 HydrophobicContact CD2-CG2 4.13Å; L254-I472 HydrophobicContact CG-CG2 3.79Å; L278-I472 HydrophobicContact CD1-CD1 3.7Å; F285-I472 HydrophobicContact CD1-CD1 4.45Å; F285-I472 HydrophobicContact CE1-CD1 3.74Å; F285-I472 HydrophobicContact CE1-CG1 4.18Å; F285-I472 HydrophobicContact CZ-CD1 4.08Å; L452-I472 HydrophobicContact CD1-CD1 4.31Å; L452-I472 HydrophobicContact CD2-CD1 4.33Å; L452-I472 HydrophobicContact CD2-CG2 4.06Å; I456-I472 HydrophobicContact CD1-CD1 4.46Å; I470-I472 HydrophobicContact CG2-CG1 4.3Å; I472-F508 WeakPolarHBondContact O-CA 3.05Å; I472-W509 HydrophobicContact CB-CB 4.22Å; I472-W509 HydrophobicContact CB-CE3 4.21Å; I472-W509 HydrophobicContact CG2-CE3 4.24Å; I472-W509 PolarHBondContact N-O 3.27Å; I472-W509 PolarHBondContact O-N 3.3Å
473Y98.9Very high96.6Very high0 Ų017.5 Ų17.50%011%0.106CC..EExtended strand (participates in β ladder)trans-156.4151.2-179.873.6-78.3000111.7K251 I252 H253 L254 S303 M307 D475 G507K251-Y473 HydrophobicContact CD-CE1 4.19Å; K251-Y473 VanDerWaalsContact CE-CE1 3.43Å; K251-Y473 WeakPolarHBondContact CE-OH 3.31Å; K251-Y473 HydrophobicContact CG-CD1 4.46Å; K251-Y473 HydrophobicContact CG-CE1 3.73Å; I252-Y473 WeakPolarHBondContact O-CD1 3.13Å; I252-Y473 PolarHBondContact O-N 2.86Å; I252-Y473 VanDerWaalsContact O-N 3.11Å; H253-Y473 HydrophobicContact CB-CE1 3.8Å; H253-Y473 HydrophobicContact CB-CE2 4.47Å; H253-Y473 AromaticContact CG-CZ 3.73Å; H253-Y473 AromaticContact ND1-CZ 3.57Å; H253-Y473 PolarHBondContact ND1-OH 2.86Å; L254-Y473 VanDerWaalsContact CB-O 3.26Å; L254-Y473 WeakPolarHBondContact CB-O 3.11Å; L254-Y473 WeakPolarHBondContact CG-O 3.27Å; L254-Y473 PolarHBondContact N-O 3.01Å; S303-Y473 VanDerWaalsContact OG-CE2 3.3Å; S303-Y473 WeakPolarHBondContact OG-CE2 3.46Å; M307-Y473 HydrophobicContact CE-CD1 3.79Å; M307-Y473 HydrophobicContact CE-CD2 4.28Å; M307-Y473 HydrophobicContact CE-CE1 3.78Å; M307-Y473 HydrophobicContact CE-CE2 4.32Å; M307-Y473 HydrophobicContact CE-CG 4.04Å; M307-Y473 HydrophobicContact CG-CE2 4.22Å; M307-Y473 HydrophobicContact SD-CD2 4.47Å; M307-Y473 HydrophobicContact SD-CE2 4.48Å; Y473-D475 HydrophobicContact CE2-CB 4.1Å; Y473-G507 WeakPolarHBondContact CA-O 3.27Å
474G98.8Very high96.5Very high0 Ų016.1 Ų16.10%09%0.085CC..EExtended strand (participates in β ladder)trans-86.2140.5163.800000111.4L254 T506L254-G474 WeakPolarHBondContact O-CA 3.42Å; G474-T506 VanDerWaalsContact C-CB 3.48Å; G474-T506 PolarHBondContact N-O 3.44Å; G474-T506 WeakPolarHBondContact O-CB 3.35Å; G474-T506 PolarHBondContact O-OG1 3.49Å
475D98.5Very high96.4Very high0 Ų021.5 Ų21.50%011%0.114CC..  trans-86.6-39.5-171.365.2-25.6000114.6H253 L254 S256 H293 T295 T300 S303 Y473 Q526H253-D475 IonicContact CD2-OD2 3.81Å; H253-D475 WeakPolarHBondContact CE1-CB 3.17Å; H253-D475 IonicContact CE1-OD2 2.82Å; H253-D475 PolarHBondContact CE1-OD2 3.42Å; H253-D475 WeakPolarHBondContact NE2-CB 3.29Å; H253-D475 IonicContact NE2-OD1 2.86Å; H253-D475 IonicContact NE2-OD2 3.79Å; H253-D475 PolarHBondContact NE2-OD2 3.12Å; L254-D475 PolarHBondContact O-N 2.93Å; S256-D475 PolarHBondContact N-OD1 2.73Å; H293-D475 WeakPolarHBondContact CB-O 3.45Å; T295-D475 WeakPolarHBondContact CG2-O 3.41Å; T300-D475 WeakPolarHBondContact CA-OD2 3.46Å; T300-D475 PolarHBondContact OG1-OD2 3.43Å; S303-D475 WeakPolarHBondContact OG-CA 3.39Å; S303-D475 WeakPolarHBondContact OG-CB 3.33Å; Y473-D475 HydrophobicContact CE2-CB 4.1Å; D475-Q526 PolarHBondContact O-NE2 3.35Å
476H97.7Very high96.3Very high4 Ų421.4 Ų21.42%0.01912%0.115CC..SBendtrans-158176.5175.86280.6000111.8E255 S256 T295 T300E255-H476 IonicContact OE1-CE1 2.64Å; E255-H476 IonicContact OE1-NE2 2.76Å; E255-H476 PolarHBondContact OE1-NE2 3.12Å; S256-H476 CarbonylContact C-O 3.49Å; S256-H476 PolarHBondContact OG-CE1 3.07Å; T295-H476 HydrophobicContact CG2-CB 4.25Å; T295-H476 WeakPolarHBondContact OG1-CB 3.31Å; T300-H476 PolarHBondContact N-CD2 3.17Å; T300-H476 PolarHBondContact OG1-NE2 3.34Å
477Y96Very high96.3Very high23 Ų2316 Ų169%0.099%0.086CC..  trans-63.6136.3173.566.8-87.2000111.2F94 H293 I479F94-Y477 VanDerWaalsContact C-OH 3.26Å; F94-Y477 PolarHBondContact O-OH 2.83Å; H293-Y477 AromaticContact CE1-CD1 3.62Å; H293-Y477 AromaticContact NE2-CD1 3.53Å; Y477-I479 WeakPolarHBondContact CD2-O 3.4Å
478G93.4Very high96.4Very high7 Ų716.8 Ų16.87%0.0729%0.088CC..SBendtrans-84.6-35.5170.800000112.6F419F419-G478 WeakPolarHBondContact CE2-O 3.46Å; F419-G478 VanDerWaalsContact CZ-O 3.31Å; F419-G478 WeakPolarHBondContact CZ-O 3.42Å
479I95.3Very high96.3Very high3 Ų323.7 Ų23.72%0.01512%0.118CC..SBendtrans-105.1117.6-174.7-53.6-57.8000111F419 T437 V438 Y441 Y477 H483 M487F419-I479 HydrophobicContact CD2-CD1 4.26Å; F419-I479 HydrophobicContact CE2-CD1 3.77Å; T437-I479 HydrophobicContact CG2-CD1 4.08Å; V438-I479 HydrophobicContact CG2-CD1 4.26Å; V438-I479 HydrophobicContact CG2-CG2 4.01Å; Y441-I479 HydrophobicContact CD1-CD1 3.94Å; Y441-I479 HydrophobicContact CD1-CG1 3.85Å; Y441-I479 HydrophobicContact CD2-CD1 4.33Å; Y441-I479 HydrophobicContact CE1-CG1 4.11Å; Y441-I479 HydrophobicContact CG-CD1 3.81Å; Y441-I479 HydrophobicContact CG-CG1 4.23Å; Y477-I479 WeakPolarHBondContact CD2-O 3.4Å; I479-H483 HydrophobicContact CG2-CB 3.54Å; I479-M487 HydrophobicContact CB-SD 4.3Å; I479-M487 HydrophobicContact CG1-SD 4.21Å; I479-M487 HydrophobicContact CG2-CG 3.64Å; I479-M487 HydrophobicContact CG2-SD 3.86Å
480S93.1Very high96.3Very high4 Ų424.6 Ų24.63%0.02812%0.122CC..  trans-77167.2179.573.90000113.1R92 S95 N482 H483R92-S480 PolarHBondContact O-OG 3.2Å; S95-S480 WeakPolarHBondContact OG-CB 3.43Å; S480-N482 PolarHBondContact O-N 3.38Å; S480-N482 VanDerWaalsContact O-N 3.07Å; S480-H483 PolarHBondContact O-N 2.73Å; S480-H483 VanDerWaalsContact O-N 3.09Å; S480-H483 PolarHBondContact OG-CD2 2.69Å
481E91.3Very high96.2Very high17 Ų1726.2 Ų26.28%0.07913%0.131CC..G310 helixtrans-58-23.8177.8-67.1-171.8-150.600113.1S34 S95 K188 H483 N484 F500S34-E481 WeakPolarHBondContact CB-OE2 3.4Å; S34-E481 PolarHBondContact OG-OE2 2.89Å; S95-E481 PolarHBondContact OG-N 3.43Å; K188-E481 IonicContact NZ-OE1 3.86Å; K188-E481 PolarHBondContact NZ-OE1 2.99Å; E481-H483 PolarHBondContact O-N 3.32Å; E481-H483 VanDerWaalsContact O-N 3.15Å; E481-N484 WeakPolarHBondContact O-CB 3.39Å; E481-N484 PolarHBondContact O-N 2.9Å; E481-N484 PolarHBondContact O-ND2 3.42Å; E481-N484 PolarHBondContact O-OD1 2.94Å; E481-F500 HydrophobicContact CB-CE2 4.27Å; E481-F500 HydrophobicContact CB-CZ 4.36Å; E481-F500 HydrophobicContact CG-CD1 3.66Å; E481-F500 HydrophobicContact CG-CD2 3.81Å; E481-F500 HydrophobicContact CG-CE1 3.38Å; E481-F500 HydrophobicContact CG-CE2 3.55Å; E481-F500 HydrophobicContact CG-CG 3.87Å; E481-F500 HydrophobicContact CG-CZ 3.34Å
482N90.1Very high96.1Very high42 Ų4229.5 Ų29.523%0.22517%0.165CC..G310 helixtrans-66.2-14.8179.8-167.345.7000113.3R92 S480R92-N482 WeakPolarHBondContact CG-ND2 3.36Å; S480-N482 PolarHBondContact O-N 3.38Å; S480-N482 VanDerWaalsContact O-N 3.07Å
483H93.5Very high95.9Very high4 Ų433.4 Ų33.42%0.01918%0.184CC..G310 helixtrans-105.413.2179.4-59.4-80.7000112.8D435 V438 I479 S480 E481 N485 A486 M487D435-H483 IonicContact OD1-CE1 2.86Å; D435-H483 IonicContact OD1-ND1 2.87Å; D435-H483 PolarHBondContact OD1-ND1 3.27Å; D435-H483 VanDerWaalsContact OD1-ND1 3.1Å; D435-H483 IonicContact OD2-CE1 3.17Å; D435-H483 IonicContact OD2-CG 3.77Å; D435-H483 IonicContact OD2-ND1 2.66Å; D435-H483 PolarHBondContact OD2-ND1 3.2Å; V438-H483 HydrophobicContact CG2-CB 3.74Å; I479-H483 HydrophobicContact CG2-CB 3.54Å; S480-H483 PolarHBondContact O-N 2.73Å; S480-H483 VanDerWaalsContact O-N 3.09Å; S480-H483 PolarHBondContact OG-CD2 2.69Å; E481-H483 PolarHBondContact O-N 3.32Å; E481-H483 VanDerWaalsContact O-N 3.15Å; H483-N485 VanDerWaalsContact C-N 3.26Å; H483-N485 PolarHBondContact O-N 3.35Å; H483-A486 WeakPolarHBondContact O-CB 3.14Å; H483-A486 PolarHBondContact O-N 3.28Å; H483-M487 PolarHBondContact O-N 2.78Å
484N94.7Very high95.7Very high27 Ų2740.4 Ų40.414%0.14421%0.214CC..Hα-helixtrans-55.9-36-177.3-80.4-8.6000113.8E481 A486 M487 E488 I495E481-N484 WeakPolarHBondContact O-CB 3.39Å; E481-N484 PolarHBondContact O-N 2.9Å; E481-N484 PolarHBondContact O-ND2 3.42Å; E481-N484 PolarHBondContact O-OD1 2.94Å; N484-A486 VanDerWaalsContact C-N 3.34Å; N484-A486 PolarHBondContact O-N 3.01Å; N484-M487 PolarHBondContact O-N 3.06Å; N484-E488 WeakPolarHBondContact O-CB 3.04Å; N484-E488 PolarHBondContact O-N 3.1Å; N484-I495 HydrophobicContact CB-CB 3.99Å; N484-I495 HydrophobicContact CB-CG2 4.21Å; N484-I495 WeakPolarHBondContact O-CG1 3.46Å; N484-I495 VanDerWaalsContact OD1-CG2 3.3Å; N484-I495 WeakPolarHBondContact OD1-CG2 3.41Å
485N95.1Very high95.6Very high131 Ų13141.1 Ų41.170%0.70122%0.218SC*.Hα-helixtrans-66-36.3176.4-69.3-19.9000112.5H483 K489H483-N485 VanDerWaalsContact C-N 3.26Å; H483-N485 PolarHBondContact O-N 3.35Å; N485-K489 PolarHBondContact O-N 3.07Å
486A97.4Very high95.4Very high7 Ų743.3 Ų43.36%0.05823%0.231CC..Hα-helixtrans-75.1-40.217600000111T433 D435 V438 H483 N484 E488 K489 L490T433-A486 WeakPolarHBondContact CG2-O 3.37Å; D435-A486 HydrophobicContact CB-CB 3.42Å; D435-A486 VanDerWaalsContact CB-CB 3.42Å; V438-A486 HydrophobicContact CB-CB 4.05Å; V438-A486 HydrophobicContact CG1-CB 4.38Å; V438-A486 HydrophobicContact CG2-CB 3.7Å; H483-A486 WeakPolarHBondContact O-CB 3.14Å; H483-A486 PolarHBondContact O-N 3.28Å; N484-A486 VanDerWaalsContact C-N 3.34Å; N484-A486 PolarHBondContact O-N 3.01Å; A486-E488 VanDerWaalsContact C-N 3.29Å; A486-E488 PolarHBondContact O-N 2.95Å; A486-K489 WeakPolarHBondContact O-CB 3.26Å; A486-K489 PolarHBondContact O-N 3.26Å; A486-L490 PolarHBondContact O-N 2.78Å
487M98Very high95.1Very high2 Ų245.4 Ų45.41%0.0125%0.245CC..Hα-helixtrans-61.1-36.1172.4-72.3-58.3-6600112.5F260 V438 I479 H483 N484 L490 L491 I495 L503F260-M487 HydrophobicContact CD1-CE 4.22Å; F260-M487 HydrophobicContact CD2-CE 4.18Å; F260-M487 HydrophobicContact CE1-CE 3.8Å; F260-M487 HydrophobicContact CE2-CE 3.76Å; F260-M487 HydrophobicContact CG-CE 4.4Å; F260-M487 HydrophobicContact CZ-CE 3.55Å; F260-M487 HydrophobicContact CZ-SD 4.22Å; V438-M487 HydrophobicContact CG1-SD 3.98Å; V438-M487 HydrophobicContact CG2-CG 4.37Å; V438-M487 HydrophobicContact CG2-SD 4.21Å; I479-M487 HydrophobicContact CB-SD 4.3Å; I479-M487 HydrophobicContact CG1-SD 4.21Å; I479-M487 HydrophobicContact CG2-CG 3.64Å; I479-M487 HydrophobicContact CG2-SD 3.86Å; H483-M487 PolarHBondContact O-N 2.78Å; N484-M487 PolarHBondContact O-N 3.06Å; M487-L490 HydrophobicContact CE-CD2 4.4Å; M487-L490 PolarHBondContact O-N 2.83Å; M487-L490 HydrophobicContact SD-CD2 4.03Å; M487-L491 HydrophobicContact CE-CD1 3.9Å; M487-L491 HydrophobicContact CE-CG 4.16Å; M487-L491 WeakPolarHBondContact O-CB 3.3Å; M487-L491 WeakPolarHBondContact O-CG 3.31Å; M487-L491 PolarHBondContact O-N 2.56Å; M487-I495 HydrophobicContact CB-CD1 4.24Å; M487-I495 HydrophobicContact CB-CG1 3.81Å; M487-L503 HydrophobicContact CE-CD1 4.06Å
488E97.9Very high95.1Very high79 Ų7944.3 Ų44.337%0.36924%0.241SC..Hα-helixtrans-61.5-44.9173.6174166.1168.400111.5N484 A486 G492 E493 I495N484-E488 WeakPolarHBondContact O-CB 3.04Å; N484-E488 PolarHBondContact O-N 3.1Å; A486-E488 VanDerWaalsContact C-N 3.29Å; A486-E488 PolarHBondContact O-N 2.95Å; E488-G492 WeakPolarHBondContact O-CA 3.37Å; E488-G492 PolarHBondContact O-N 3.34Å; E488-E493 WeakPolarHBondContact CA-O 3.36Å; E488-E493 WeakPolarHBondContact CG-O 3.38Å; E488-E493 PolarHBondContact O-N 2.88Å; E488-I495 HydrophobicContact CB-CG1 4.18Å
489K98Very high95.3Very high145 Ų14545.5 Ų45.563%0.6324%0.244SC*.Hα-helixtrans-64-41.2174.1-65.1176.3-172179.60112T433 N485 A486T433-K489 HydrophobicContact CG2-CB 4.18Å; T433-K489 VanDerWaalsContact O-CD 3.26Å; T433-K489 WeakPolarHBondContact O-CD 3.31Å; T433-K489 PolarHBondContact O-NZ 3.03Å; N485-K489 PolarHBondContact O-N 3.07Å; A486-K489 WeakPolarHBondContact O-CB 3.26Å; A486-K489 PolarHBondContact O-N 3.26Å
490L97.9Very high95.4Very high20 Ų2046 Ų4611%0.10525%0.246CC..Hα-helixtrans-66.2-45.2-179.5-178.763.2000111.5F260 K264 V266 T433 V438 I442 A486 M487F260-L490 HydrophobicContact CE2-CD2 3.94Å; K264-L490 WeakPolarHBondContact CE-O 3.43Å; K264-L490 PolarHBondContact NZ-O 2.91Å; V266-L490 HydrophobicContact CG2-CD1 4.26Å; T433-L490 HydrophobicContact CG2-CB 3.86Å; V438-L490 HydrophobicContact CG1-CB 4.36Å; V438-L490 HydrophobicContact CG1-CD2 3.8Å; I442-L490 HydrophobicContact CD1-CD1 4.27Å; I442-L490 HydrophobicContact CD1-CD2 4.07Å; A486-L490 PolarHBondContact O-N 2.78Å; M487-L490 HydrophobicContact CE-CD2 4.4Å; M487-L490 PolarHBondContact O-N 2.83Å; M487-L490 HydrophobicContact SD-CD2 4.03Å
491L97Very high95.6Very high34 Ų3446.1 Ų46.118%0.17825%0.246CC..Hα-helixtrans-88.5-21.4-174-61.8-174.7000113.2F260 M487 E493 I495 L503F260-L491 HydrophobicContact CD2-CD2 3.92Å; M487-L491 HydrophobicContact CE-CD1 3.9Å; M487-L491 HydrophobicContact CE-CG 4.16Å; M487-L491 WeakPolarHBondContact O-CB 3.3Å; M487-L491 WeakPolarHBondContact O-CG 3.31Å; M487-L491 PolarHBondContact O-N 2.56Å; L491-E493 VanDerWaalsContact C-N 3.32Å; L491-E493 HydrophobicContact CB-CG 4.05Å; L491-I495 HydrophobicContact CD1-CD1 3.94Å; L491-L503 HydrophobicContact CD1-CD1 4.31Å; L491-L503 HydrophobicContact CD1-CD2 3.8Å
492G96.3Very high95.9Very high71 Ų7146.3 Ų46.373%0.73225%0.248SC*.THydrogen-bonded Turntrans76.220-176.600000113.3E488E488-G492 WeakPolarHBondContact O-CA 3.37Å; E488-G492 PolarHBondContact O-N 3.34Å
493E95.5Very high96.2Very high82 Ų8244.9 Ų44.938%0.38324%0.241SC..SBendtrans-146.9149-179.566.8-177.1133.300110.9E488 L491 I495 K499E488-E493 WeakPolarHBondContact CA-O 3.36Å; E488-E493 WeakPolarHBondContact CG-O 3.38Å; E488-E493 PolarHBondContact O-N 2.88Å; L491-E493 VanDerWaalsContact C-N 3.32Å; L491-E493 HydrophobicContact CB-CG 4.05Å; E493-I495 WeakPolarHBondContact O-CD1 3.37Å; E493-I495 PolarHBondContact O-N 3.04Å; E493-K499 WeakPolarHBondContact OE1-CE 3.35Å; E493-K499 IonicContact OE1-NZ 3.66Å; E493-K499 PolarHBondContact OE1-NZ 2.66Å; E493-K499 VanDerWaalsContact OE2-CE 3.31Å; E493-K499 WeakPolarHBondContact OE2-CE 3.43Å; E493-K499 IonicContact OE2-NZ 2.7Å; E493-K499 PolarHBondContact OE2-NZ 2.78Å
494K95.2Very high96.4Very high147 Ų14745.4 Ų45.464%0.63924%0.243SC*.  trans-65131.1-178.7-176.2173.8-175.4171.30111.9T496K494-T496 HydrophobicContact CD-CG2 4.44Å; K494-T496 HydrophobicContact CG-CG2 4.28Å; K494-T496 PolarHBondContact O-N 2.87Å; K494-T496 VanDerWaalsContact O-N 3.16Å
495I96.3Very high96.6Very high14 Ų1445.7 Ų45.77%0.07224%0.242CC..  trans-88.289176.9-45.6-54.6000109.9N484 M487 E488 L491 E493 K499 F500 L503N484-I495 HydrophobicContact CB-CB 3.99Å; N484-I495 HydrophobicContact CB-CG2 4.21Å; N484-I495 WeakPolarHBondContact O-CG1 3.46Å; N484-I495 VanDerWaalsContact OD1-CG2 3.3Å; N484-I495 WeakPolarHBondContact OD1-CG2 3.41Å; M487-I495 HydrophobicContact CB-CD1 4.24Å; M487-I495 HydrophobicContact CB-CG1 3.81Å; E488-I495 HydrophobicContact CB-CG1 4.18Å; L491-I495 HydrophobicContact CD1-CD1 3.94Å; E493-I495 WeakPolarHBondContact O-CD1 3.37Å; E493-I495 PolarHBondContact O-N 3.04Å; I495-K499 HydrophobicContact CD1-CG 4.11Å; I495-F500 HydrophobicContact CG2-CB 4.11Å; I495-L503 HydrophobicContact CD1-CD1 4.41Å; I495-L503 HydrophobicContact CG2-CD1 4.21Å
496T94.8Very high96.8Very high46 Ų4639.4 Ų39.428%0.28221%0.209SC..  trans-78.7165.817069.30000110.7K494 A498 K499 F500K494-T496 HydrophobicContact CD-CG2 4.44Å; K494-T496 HydrophobicContact CG-CG2 4.28Å; K494-T496 PolarHBondContact O-N 2.87Å; K494-T496 VanDerWaalsContact O-N 3.16Å; T496-A498 PolarHBondContact O-N 3.22Å; T496-K499 CarbonylContact O-C 3.41Å; T496-K499 PolarHBondContact O-N 3.1Å; T496-K499 PolarHBondContact OG1-N 2.87Å; T496-F500 PolarHBondContact O-N 3.1Å
497P91.4Very high96.8Very high48 Ų4839.1 Ų39.131%0.31221%0.206SC..Hα-helixtrans-54.3-39.8172.9-28.836.5000113.4K499 F500 T501 V575P497-K499 PolarHBondContact O-N 3.08Å; P497-F500 PolarHBondContact O-N 3.17Å; P497-T501 PolarHBondContact O-N 3.42Å; P497-T501 PolarHBondContact O-OG1 2.93Å; P497-T501 VanDerWaalsContact O-OG1 3.12Å; P497-V575 HydrophobicContact CB-CG1 4.1Å
498A96Very high96.8Very high0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-65.3-38.9176.900000112.5T496 D502 K573 Y580 N585T496-A498 PolarHBondContact O-N 3.22Å; A498-D502 PolarHBondContact O-N 3Å; A498-K573 HydrophobicContact CB-CD 4.21Å; A498-K573 PolarHBondContact O-NZ 3.31Å; A498-Y580 HydrophobicContact CB-CD1 3.65Å; A498-Y580 HydrophobicContact CB-CD2 3.96Å; A498-Y580 HydrophobicContact CB-CE1 4.11Å; A498-Y580 HydrophobicContact CB-CE2 4.39Å; A498-Y580 HydrophobicContact CB-CG 3.56Å; A498-N585 HydrophobicContact CB-CB 4.05Å; A498-N585 PolarHBondContact O-OD1 2.55Å
499K97Very high96.9Very high33 Ų3335.2 Ų35.214%0.14319%0.188CC..Hα-helixtrans-69.9-40.1174.5-178.163.6-176-156.50111.7E493 I495 T496 P497 T501 D502 L503E493-K499 WeakPolarHBondContact OE1-CE 3.35Å; E493-K499 IonicContact OE1-NZ 3.66Å; E493-K499 PolarHBondContact OE1-NZ 2.66Å; E493-K499 VanDerWaalsContact OE2-CE 3.31Å; E493-K499 WeakPolarHBondContact OE2-CE 3.43Å; E493-K499 IonicContact OE2-NZ 2.7Å; E493-K499 PolarHBondContact OE2-NZ 2.78Å; I495-K499 HydrophobicContact CD1-CG 4.11Å; T496-K499 CarbonylContact O-C 3.41Å; T496-K499 PolarHBondContact O-N 3.1Å; T496-K499 PolarHBondContact OG1-N 2.87Å; P497-K499 PolarHBondContact O-N 3.08Å; K499-T501 VanDerWaalsContact C-N 3.28Å; K499-T501 PolarHBondContact O-N 3.33Å; K499-D502 HydrophobicContact CD-CB 4.43Å; K499-D502 WeakPolarHBondContact O-CA 3.15Å; K499-D502 VanDerWaalsContact O-CB 3.27Å; K499-D502 WeakPolarHBondContact O-CB 3.2Å; K499-D502 PolarHBondContact O-N 2.9Å; K499-L503 WeakPolarHBondContact O-CG 3.44Å; K499-L503 PolarHBondContact O-N 3.13Å; K499-L503 VanDerWaalsContact O-N 3.16Å
500F96.3Very high96.9Very high13 Ų1328.3 Ų28.36%0.05716%0.158CC..Hα-helixtrans-58.8-41.8174.8-178.2-97.6000111.2E481 I495 T496 P497 D502 L503 N504E481-F500 HydrophobicContact CB-CE2 4.27Å; E481-F500 HydrophobicContact CB-CZ 4.36Å; E481-F500 HydrophobicContact CG-CD1 3.66Å; E481-F500 HydrophobicContact CG-CD2 3.81Å; E481-F500 HydrophobicContact CG-CE1 3.38Å; E481-F500 HydrophobicContact CG-CE2 3.55Å; E481-F500 HydrophobicContact CG-CG 3.87Å; E481-F500 HydrophobicContact CG-CZ 3.34Å; I495-F500 HydrophobicContact CG2-CB 4.11Å; T496-F500 PolarHBondContact O-N 3.1Å; P497-F500 PolarHBondContact O-N 3.17Å; F500-D502 VanDerWaalsContact C-N 3.25Å; F500-D502 PolarHBondContact O-N 3.49Å; F500-L503 WeakPolarHBondContact O-CA 3.39Å; F500-L503 WeakPolarHBondContact O-CB 3.16Å; F500-L503 PolarHBondContact O-N 3.2Å; F500-N504 PolarHBondContact O-N 3Å
501T97.3Very high97Very high6 Ų627.6 Ų27.64%0.03715%0.154CC..Hα-helixtrans-60.2-33.3171.7-57.50000112.8P497 K499 L503 N504 F562 K573 V575P497-T501 PolarHBondContact O-N 3.42Å; P497-T501 PolarHBondContact O-OG1 2.93Å; P497-T501 VanDerWaalsContact O-OG1 3.12Å; K499-T501 VanDerWaalsContact C-N 3.28Å; K499-T501 PolarHBondContact O-N 3.33Å; T501-L503 VanDerWaalsContact C-N 3.28Å; T501-L503 PolarHBondContact O-N 3.39Å; T501-N504 WeakPolarHBondContact O-CB 3.38Å; T501-N504 PolarHBondContact O-N 2.94Å; T501-F562 HydrophobicContact CG2-CE2 3.56Å; T501-F562 HydrophobicContact CG2-CZ 3.9Å; T501-K573 HydrophobicContact CG2-CD 4.08Å; T501-V575 HydrophobicContact CG2-CG2 3.83Å; T501-V575 WeakPolarHBondContact OG1-CG1 3.45Å; T501-V575 WeakPolarHBondContact OG1-CG2 3.37Å
502D97.8Very high97.1Very high22 Ų2226.2 Ų26.212%0.11815%0.147CC..Hα-helixtrans-64.7-34.7172.6-75-36000113.2A498 K499 F500 N504 R505 K573 N585A498-D502 PolarHBondContact O-N 3Å; K499-D502 HydrophobicContact CD-CB 4.43Å; K499-D502 WeakPolarHBondContact O-CA 3.15Å; K499-D502 VanDerWaalsContact O-CB 3.27Å; K499-D502 WeakPolarHBondContact O-CB 3.2Å; K499-D502 PolarHBondContact O-N 2.9Å; F500-D502 VanDerWaalsContact C-N 3.25Å; F500-D502 PolarHBondContact O-N 3.49Å; D502-N504 PolarHBondContact O-N 2.75Å; D502-R505 VanDerWaalsContact CB-NH1 3.26Å; D502-R505 VanDerWaalsContact CG-NH1 3.32Å; D502-R505 WeakPolarHBondContact O-CG 3.16Å; D502-R505 PolarHBondContact O-N 3.05Å; D502-R505 PolarHBondContact O-NH1 2.89Å; D502-R505 VanDerWaalsContact O-NH1 3.13Å; D502-R505 IonicContact OD1-CZ 3.86Å; D502-R505 IonicContact OD1-NH1 2.65Å; D502-R505 PolarHBondContact OD1-NH1 3.31Å; D502-R505 IonicContact OD1-NH2 2.73Å; D502-K573 IonicContact OD1-NZ 3.81Å; D502-K573 PolarHBondContact OD1-NZ 2.84Å; D502-K573 IonicContact OD2-NZ 3.35Å; D502-K573 PolarHBondContact OD2-NZ 2.94Å; D502-N585 PolarHBondContact OD2-ND2 3.3Å; D502-N585 PolarHBondContact OD2-OD1 2.78Å; D502-N585 VanDerWaalsContact OD2-OD1 3.05Å
503L97.8Very high97.1Very high12 Ų1223.5 Ų23.56%0.06312%0.116CC..Hα-helixtrans-69.6-13.7179.1-58.9177.3000112.1Q258 F260 M487 L491 I495 K499 F500 T501 R505Q258-L503 PolarHBondContact NE2-O 3.19Å; F260-L503 HydrophobicContact CB-CD2 3.87Å; F260-L503 HydrophobicContact CD1-CD2 4.22Å; F260-L503 HydrophobicContact CG-CD2 4.22Å; M487-L503 HydrophobicContact CE-CD1 4.06Å; L491-L503 HydrophobicContact CD1-CD1 4.31Å; L491-L503 HydrophobicContact CD1-CD2 3.8Å; I495-L503 HydrophobicContact CD1-CD1 4.41Å; I495-L503 HydrophobicContact CG2-CD1 4.21Å; K499-L503 WeakPolarHBondContact O-CG 3.44Å; K499-L503 PolarHBondContact O-N 3.13Å; K499-L503 VanDerWaalsContact O-N 3.16Å; F500-L503 WeakPolarHBondContact O-CA 3.39Å; F500-L503 WeakPolarHBondContact O-CB 3.16Å; F500-L503 PolarHBondContact O-N 3.2Å; T501-L503 VanDerWaalsContact C-N 3.28Å; T501-L503 PolarHBondContact O-N 3.39Å; L503-R505 PolarHBondContact O-N 2.77Å
504N98Very high97.1Very high14 Ų1423.7 Ų23.78%0.07514%0.14CC..THydrogen-bonded Turntrans-72.92.8172.5-72.2-41.2000114.1F292 H293 F500 T501 D502 T506 F562F292-N504 HydrophobicContact CD1-CB 4.23Å; H293-N504 PolarHBondContact CD2-O 3.08Å; H293-N504 VanDerWaalsContact CD2-O 3.25Å; H293-N504 PolarHBondContact N-O 3.43Å; H293-N504 WeakPolarHBondContact NE2-CB 3.47Å; H293-N504 VanDerWaalsContact NE2-CG 3.3Å; H293-N504 PolarHBondContact NE2-OD1 3.14Å; F500-N504 PolarHBondContact O-N 3Å; T501-N504 WeakPolarHBondContact O-CB 3.38Å; T501-N504 PolarHBondContact O-N 2.94Å; D502-N504 PolarHBondContact O-N 2.75Å; N504-T506 PolarHBondContact O-N 3.13Å; N504-F562 HydrophobicContact CB-CE1 4.4Å
505R98.6Very high97.1Very high33 Ų3318.8 Ų18.813%0.12512%0.119CC..BIsolated β-bridgetrans-67.6122.5166.3-71.2172.8175.384-1.2109.8Q258 T259 P289 N290 F291 F292 D502 L503 Y523Q258-R505 WeakPolarHBondContact CA-O 3.36Å; T259-R505 HydrophobicContact CG2-CB 4.32Å; T259-R505 PolarHBondContact N-O 3.12Å; T259-R505 WeakPolarHBondContact OG1-CB 3.49Å; T259-R505 PolarHBondContact OG1-O 3.12Å; P289-R505 WeakPolarHBondContact O-CD 3.31Å; N290-R505 PolarHBondContact OD1-NE 3.24Å; N290-R505 PolarHBondContact OD1-NH2 2.69Å; F291-R505 WeakPolarHBondContact O-CA 2.82Å; F292-R505 HydrophobicContact CD1-CG 3.95Å; F292-R505 HydrophobicContact CE1-CG 3.47Å; F292-R505 VanDerWaalsContact CE1-CG 3.47Å; F292-R505 HydrophobicContact CE2-CG 4.09Å; F292-R505 HydrophobicContact CG-CG 4.46Å; F292-R505 HydrophobicContact CZ-CG 3.54Å; F292-R505 VanDerWaalsContact CZ-CZ 3.46Å; D502-R505 VanDerWaalsContact CB-NH1 3.26Å; D502-R505 VanDerWaalsContact CG-NH1 3.32Å; D502-R505 WeakPolarHBondContact O-CG 3.16Å; D502-R505 PolarHBondContact O-N 3.05Å; D502-R505 PolarHBondContact O-NH1 2.89Å; D502-R505 VanDerWaalsContact O-NH1 3.13Å; D502-R505 IonicContact OD1-CZ 3.86Å; D502-R505 IonicContact OD1-NH1 2.65Å; D502-R505 PolarHBondContact OD1-NH1 3.31Å; D502-R505 IonicContact OD1-NH2 2.73Å; L503-R505 PolarHBondContact O-N 2.77Å; R505-Y523 PolarHBondContact NH2-OH 3.22Å
506T98.4Very high97Very high0 Ų022.9 Ų22.90%015%0.149CC..  trans-109.3-15.217759.20000112.7F257 F291 H293 G474 N504F257-T506 WeakPolarHBondContact O-CB 3.45Å; F257-T506 WeakPolarHBondContact O-CG2 3.28Å; F291-T506 PolarHBondContact O-N 3.21Å; H293-T506 HydrophobicContact CB-CG2 3.85Å; G474-T506 VanDerWaalsContact C-CB 3.48Å; G474-T506 PolarHBondContact N-O 3.44Å; G474-T506 WeakPolarHBondContact O-CB 3.35Å; G474-T506 PolarHBondContact O-OG1 3.49Å; N504-T506 PolarHBondContact O-N 3.13Å
507G97.6Very high97Very high0 Ų021.6 Ų21.60%015%0.145CC..  trans78.9150.1173.700000112.2F291 Y473F291-G507 PolarHBondContact O-N 3.32Å; Y473-G507 WeakPolarHBondContact CA-O 3.27Å
508F98.9Very high97.3Very high0 Ų020.2 Ų20.20%014%0.14CC..EExtended strand (participates in β ladder)trans-139127.2175.5179.5-106.9000109.1F288 F291 M471 I472 I510 V529 L551F288-F508 HydrophobicContact CB-CB 4.2Å; F288-F508 AromaticContact CD2-CD1 3.65Å; F288-F508 HydrophobicContact CD2-CD1 3.65Å; F288-F508 HydrophobicContact CD2-CE1 4.41Å; F288-F508 HydrophobicContact CE2-CD1 4.05Å; F288-F508 HydrophobicContact CE2-CE1 4.37Å; F288-F508 HydrophobicContact CG-CD1 4.26Å; F288-F508 PolarHBondContact N-O 3.49Å; F288-F508 PolarHBondContact O-N 3.26Å; F291-F508 HydrophobicContact CB-CB 3.8Å; F291-F508 HydrophobicContact CD1-CB 3.79Å; F291-F508 HydrophobicContact CD2-CB 3.53Å; F291-F508 HydrophobicContact CD2-CG 4.09Å; F291-F508 HydrophobicContact CE1-CB 4.15Å; F291-F508 HydrophobicContact CE2-CB 3.93Å; F291-F508 HydrophobicContact CE2-CD2 4.25Å; F291-F508 HydrophobicContact CE2-CG 4.06Å; F291-F508 HydrophobicContact CG-CB 3.43Å; F291-F508 VanDerWaalsContact CG-CB 3.43Å; F291-F508 HydrophobicContact CG-CG 4.42Å; F291-F508 HydrophobicContact CZ-CB 4.19Å; F291-F508 HydrophobicContact CZ-CD2 4.17Å; F291-F508 HydrophobicContact CZ-CG 4.36Å; M471-F508 HydrophobicContact CB-CE2 3.79Å; M471-F508 HydrophobicContact CB-CZ 3.98Å; M471-F508 HydrophobicContact SD-CE2 4.46Å; I472-F508 WeakPolarHBondContact O-CA 3.05Å; F508-I510 HydrophobicContact CD1-CB 4.45Å; F508-I510 HydrophobicContact CD1-CG2 4.47Å; F508-I510 HydrophobicContact CE1-CB 3.7Å; F508-I510 HydrophobicContact CE1-CD1 4.24Å; F508-I510 HydrophobicContact CE1-CG1 4.5Å; F508-I510 HydrophobicContact CE1-CG2 3.85Å; F508-I510 HydrophobicContact CZ-CB 3.99Å; F508-I510 HydrophobicContact CZ-CD1 4.11Å; F508-I510 HydrophobicContact CZ-CG1 4.44Å; F508-V529 HydrophobicContact CD2-CG2 4.37Å; F508-V529 HydrophobicContact CE2-CG1 4.32Å; F508-V529 HydrophobicContact CE2-CG2 3.88Å; F508-V529 HydrophobicContact CZ-CG1 4.35Å; F508-V529 HydrophobicContact CZ-CG2 4.13Å; F508-L551 HydrophobicContact CD1-CD1 4.05Å; F508-L551 HydrophobicContact CE1-CD1 3.83Å
509W98.9Very high97.5Very high0 Ų024.4 Ų24.40%016%0.161CC..EExtended strand (participates in β ladder)trans-119.8125.8175.5-58.5-102.8000107.9F257 T259 I262 L275 S279 F285 T286 Y287 M471 I472F257-W509 HydrophobicContact CD1-CH2 4.43Å; F257-W509 AromaticContact CE1-CH2 3.82Å; F257-W509 HydrophobicContact CE1-CH2 3.82Å; F257-W509 HydrophobicContact CE1-CZ3 4.47Å; T259-W509 HydrophobicContact CG2-CH2 4.28Å; I262-W509 HydrophobicContact CD1-CH2 4.32Å; I262-W509 HydrophobicContact CD1-CZ2 3.8Å; I262-W509 HydrophobicContact CG1-CZ2 4.22Å; L275-W509 HydrophobicContact CD2-CD2 4.32Å; L275-W509 HydrophobicContact CD2-CE3 4.43Å; L275-W509 HydrophobicContact CD2-CH2 4.43Å; L275-W509 HydrophobicContact CD2-CZ2 4.26Å; L275-W509 HydrophobicContact CD2-CZ3 4.5Å; S279-W509 PolarHBondContact OG-NE1 3.19Å; F285-W509 HydrophobicContact CB-CB 4.3Å; F285-W509 HydrophobicContact CD1-CB 3.78Å; F285-W509 HydrophobicContact CG-CB 4.39Å; T286-W509 WeakPolarHBondContact O-CA 3.47Å; Y287-W509 AromaticContact CD2-CD1 3.6Å; Y287-W509 AromaticContact CD2-CD2 3.92Å; Y287-W509 HydrophobicContact CD2-CD2 3.92Å; Y287-W509 AromaticContact CD2-CE2 3.33Å; Y287-W509 HydrophobicContact CD2-CG 4.06Å; Y287-W509 AromaticContact CD2-CZ2 3.74Å; Y287-W509 HydrophobicContact CD2-CZ2 3.74Å; Y287-W509 AromaticContact CD2-NE1 3.13Å; Y287-W509 HydrophobicContact CE2-CD2 4.29Å; Y287-W509 AromaticContact CE2-CE2 3.47Å; Y287-W509 VanDerWaalsContact CE2-CE2 3.47Å; Y287-W509 HydrophobicContact CE2-CH2 4.02Å; Y287-W509 AromaticContact CE2-CZ2 3.31Å; Y287-W509 HydrophobicContact CE2-CZ2 3.31Å; Y287-W509 AromaticContact CE2-NE1 3.67Å; Y287-W509 AromaticContact CG-CD1 3.92Å; Y287-W509 AromaticContact CG-NE1 3.58Å; M471-W509 CarbonylContact C-O 3.36Å; M471-W509 VanDerWaalsContact CA-O 3.3Å; M471-W509 WeakPolarHBondContact CA-O 3.18Å; I472-W509 HydrophobicContact CB-CB 4.22Å; I472-W509 HydrophobicContact CB-CE3 4.21Å; I472-W509 HydrophobicContact CG2-CE3 4.24Å; I472-W509 PolarHBondContact N-O 3.27Å; I472-W509 PolarHBondContact O-N 3.3Å
510I98.9Very high97.5Very high0 Ų024.5 Ų24.50%016%0.163CC..EExtended strand (participates in β ladder)trans-127.5122.3177.1-168.3173.8000110.9F285 T286 F288 V469 I470 M471 F508 I512 I533 L536 F552F285-I510 WeakPolarHBondContact CA-O 3.23Å; T286-I510 PolarHBondContact N-O 3.39Å; T286-I510 PolarHBondContact O-N 3Å; F288-I510 HydrophobicContact CE2-CG2 3.93Å; V469-I510 HydrophobicContact CG1-CD1 3.99Å; V469-I510 HydrophobicContact CG1-CG1 3.99Å; I470-I510 CarbonylContact O-C 3.6Å; I470-I510 WeakPolarHBondContact O-CA 3.31Å; M471-I510 HydrophobicContact CB-CG1 4.41Å; F508-I510 HydrophobicContact CD1-CB 4.45Å; F508-I510 HydrophobicContact CD1-CG2 4.47Å; F508-I510 HydrophobicContact CE1-CB 3.7Å; F508-I510 HydrophobicContact CE1-CD1 4.24Å; F508-I510 HydrophobicContact CE1-CG1 4.5Å; F508-I510 HydrophobicContact CE1-CG2 3.85Å; F508-I510 HydrophobicContact CZ-CB 3.99Å; F508-I510 HydrophobicContact CZ-CD1 4.11Å; F508-I510 HydrophobicContact CZ-CG1 4.44Å; I510-I512 HydrophobicContact CD1-CD1 4.33Å; I510-I512 HydrophobicContact CD1-CG1 4.14Å; I510-I512 HydrophobicContact CG1-CG1 4Å; I510-I512 HydrophobicContact CG2-CD1 4.48Å; I510-I533 HydrophobicContact CD1-CD1 3.97Å; I510-L536 HydrophobicContact CD1-CD1 3.75Å; I510-F552 HydrophobicContact CG2-CZ 3.94Å
511K98.8Very high97.6Very high4 Ų428.7 Ų28.72%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-94.1130.1166.3171.1-177.8169.3-72.20108.4Q284 F285 Y465 D466 S468 V469 I470Q284-K511 HydrophobicContact CB-CD 4.32Å; Q284-K511 HydrophobicContact CB-CG 4.29Å; F285-K511 HydrophobicContact CD1-CB 3.73Å; F285-K511 HydrophobicContact CD2-CB 4.07Å; F285-K511 HydrophobicContact CE1-CB 3.59Å; F285-K511 HydrophobicContact CE2-CB 3.94Å; F285-K511 HydrophobicContact CE2-CD 4.29Å; F285-K511 HydrophobicContact CG-CB 3.98Å; F285-K511 HydrophobicContact CZ-CB 3.71Å; F285-K511 HydrophobicContact CZ-CD 4.41Å; Y465-K511 HydrophobicContact CD2-CD 4.49Å; Y465-K511 HydrophobicContact CE1-CD 3.92Å; Y465-K511 VanDerWaalsContact CE1-CE 3.48Å; Y465-K511 HydrophobicContact CE2-CD 3.8Å; Y465-K511 VanDerWaalsContact CZ-CD 3.47Å; Y465-K511 PolarHBondContact O-NZ 2.94Å; D466-K511 PolarHBondContact O-NZ 3.21Å; S468-K511 PolarHBondContact O-NZ 3.36Å; V469-K511 VanDerWaalsContact CA-O 3.25Å; V469-K511 WeakPolarHBondContact CA-O 3.34Å; I470-K511 HydrophobicContact CB-CB 4.31Å; I470-K511 HydrophobicContact CD1-CD 4.33Å; I470-K511 PolarHBondContact N-O 3.49Å; I470-K511 PolarHBondContact O-N 2.81Å
512I98.7Very high97.6Very high5 Ų531.2 Ų31.23%0.02620%0.197CC..  trans-120.1122177.8-59165.4000108.2Y240 V243 I510 G514 K515 L536 F552Y240-I512 HydrophobicContact CD1-CD1 4.01Å; Y240-I512 HydrophobicContact CE1-CD1 3.96Å; V243-I512 HydrophobicContact CG1-CG2 3.52Å; I510-I512 HydrophobicContact CD1-CD1 4.33Å; I510-I512 HydrophobicContact CD1-CG1 4.14Å; I510-I512 HydrophobicContact CG1-CG1 4Å; I510-I512 HydrophobicContact CG2-CD1 4.48Å; I512-G514 PolarHBondContact O-N 3.12Å; I512-K515 HydrophobicContact CB-CB 4.08Å; I512-K515 HydrophobicContact CB-CG 4.2Å; I512-K515 HydrophobicContact CG2-CB 4.3Å; I512-K515 HydrophobicContact CG2-CG 3.89Å; I512-K515 PolarHBondContact O-N 3.2Å; I512-L536 HydrophobicContact CD1-CD1 3.85Å; I512-L536 HydrophobicContact CD1-CD2 3.79Å; I512-L536 HydrophobicContact CG1-CD1 4.09Å; I512-L536 HydrophobicContact CG1-CD2 4.46Å; I512-L536 HydrophobicContact CG2-CD2 4.32Å; I512-F552 HydrophobicContact CD1-CE2 3.71Å; I512-F552 HydrophobicContact CD1-CZ 3.67Å
513P97.7Very high97.7Very high15 Ų1531 Ų3110%0.09720%0.195CC..THydrogen-bonded Turntrans-53.2129.1176.8-27.836.3000112K247 S468 K515K247-P513 HydrophobicContact CB-CG 4.41Å; K247-P513 HydrophobicContact CD-CB 4.44Å; K247-P513 HydrophobicContact CD-CG 4.39Å; K247-P513 HydrophobicContact CG-CB 4.44Å; K247-P513 HydrophobicContact CG-CG 4.12Å; S468-P513 VanDerWaalsContact C-CG 3.48Å; S468-P513 WeakPolarHBondContact O-CD 3.25Å; S468-P513 VanDerWaalsContact O-CG 3.3Å; S468-P513 WeakPolarHBondContact O-CG 3.26Å; P513-K515 VanDerWaalsContact C-N 3.32Å
514G94.2Very high97.7Very high86 Ų8630.4 Ų30.489%0.88719%0.192SC*.THydrogen-bonded Turntrans80.73.6-179.700000115.5I512I512-G514 PolarHBondContact O-N 3.12Å
515K95.9Very high97.7Very high44 Ų4429.8 Ų29.819%0.19119%0.188CC..  trans-114.3147.6172.6-65.1-63.8-169.3176.60111.2E239 Y240 V243 I512 P513E239-K515 WeakPolarHBondContact O-CE 3.22Å; E239-K515 PolarHBondContact O-NZ 2.85Å; E239-K515 IonicContact OE1-NZ 3.64Å; E239-K515 PolarHBondContact OE1-NZ 3.21Å; Y240-K515 HydrophobicContact CE1-CD 4.35Å; Y240-K515 HydrophobicContact CE1-CG 4.18Å; V243-K515 HydrophobicContact CG2-CG 4.41Å; I512-K515 HydrophobicContact CB-CB 4.08Å; I512-K515 HydrophobicContact CB-CG 4.2Å; I512-K515 HydrophobicContact CG2-CB 4.3Å; I512-K515 HydrophobicContact CG2-CG 3.89Å; I512-K515 PolarHBondContact O-N 3.2Å; P513-K515 VanDerWaalsContact C-N 3.32Å
516S94.4Very high97.7Very high99 Ų9928.2 Ų28.269%0.69218%0.183SC*.  trans-73.1152.316753.60000110.2
517G95.4Very high97.8Very high20 Ų2028.3 Ų28.321%0.20618%0.183CC..  trans-77-164.3168.900000112.4E283 F285E283-G517 WeakPolarHBondContact O-CA 3.15Å; F285-G517 VanDerWaalsContact C-CA 3.47Å; F285-G517 VanDerWaalsContact O-CA 3.28Å; F285-G517 WeakPolarHBondContact O-CA 3.17Å
518G97.9Very high97.8Very high19 Ų1928.7 Ų28.720%0.19619%0.185CC..EExtended strand (participates in β ladder)trans157.5-166.5-17900000111.9F285 T286 Y287F285-G518 PolarHBondContact O-N 2.88Å; F285-G518 VanDerWaalsContact O-N 3.1Å; T286-G518 CarbonylContact C-O 3.6Å; T286-G518 WeakPolarHBondContact CA-O 3.45Å; Y287-G518 PolarHBondContact N-O 3.45Å
519I98.5Very high97.8Very high88 Ų8828.8 Ų28.845%0.45119%0.186SC..EExtended strand (participates in β ladder)trans-121121.3174.1-57.4174.8000107.9Y287 P289Y287-I519 CarbonylContact O-C 3.52Å; Y287-I519 WeakPolarHBondContact O-CA 3.43Å; P289-I519 HydrophobicContact CG-CG2 4.01Å
520N98.1Very high97.8Very high34 Ų3428.9 Ų28.918%0.18219%0.186CC..  trans-106.9111.1172.6-173.9-14000109.6T286 Y287 F288 P289 E522T286-N520 HydrophobicContact CG2-CB 4.03Å; Y287-N520 PolarHBondContact O-N 3.34Å; F288-N520 WeakPolarHBondContact CA-O 3.48Å; F288-N520 HydrophobicContact CD1-CB 3.8Å; F288-N520 HydrophobicContact CE1-CB 3.62Å; F288-N520 WeakPolarHBondContact CE1-ND2 3.41Å; F288-N520 HydrophobicContact CE2-CB 4.41Å; F288-N520 HydrophobicContact CG-CB 4.3Å; F288-N520 HydrophobicContact CZ-CB 3.95Å; P289-N520 WeakPolarHBondContact CD-O 3.27Å; N520-E522 VanDerWaalsContact C-N 3.29Å; N520-E522 PolarHBondContact O-N 3.37Å; N520-E522 WeakPolarHBondContact OD1-CB 3.48Å; N520-E522 VanDerWaalsContact OD1-CG 3.27Å; N520-E522 WeakPolarHBondContact OD1-CG 3.3Å; N520-E522 PolarHBondContact OD1-N 2.85Å
521N97.7Very high97.8Very high102 Ų10229 Ų2955%0.54519%0.187SC..  trans-85.36.9-176.8-68.9-67.3000114.3P289 N290P289-N521 VanDerWaalsContact CG-OD1 3.31Å; P289-N521 WeakPolarHBondContact CG-OD1 3.42Å; N290-N521 PolarHBondContact ND2-O 2.81Å
522E98.1Very high97.8Very high58 Ų5828.9 Ų28.927%0.27119%0.187SC..  trans-62.1145.5174.3-69.6-174.517000111.7N520 H556 Q558N520-E522 VanDerWaalsContact C-N 3.29Å; N520-E522 PolarHBondContact O-N 3.37Å; N520-E522 WeakPolarHBondContact OD1-CB 3.48Å; N520-E522 VanDerWaalsContact OD1-CG 3.27Å; N520-E522 WeakPolarHBondContact OD1-CG 3.3Å; N520-E522 PolarHBondContact OD1-N 2.85Å; E522-H556 IonicContact OE2-CD2 3.54Å; E522-H556 PolarHBondContact OE2-CD2 3.02Å; E522-Q558 HydrophobicContact CB-CG 4.26Å
523Y98.6Very high97.8Very high18 Ų1828.7 Ų28.77%0.07119%0.186CC..  trans-83125.6179.3-79.6-110.5000110N290 F292 R505 H556 Q558 I568 T569 K570 N582N290-Y523 HydrophobicContact CB-CD1 4.06Å; N290-Y523 HydrophobicContact CB-CD2 3.97Å; N290-Y523 HydrophobicContact CB-CE1 4.22Å; N290-Y523 HydrophobicContact CB-CE2 4.16Å; N290-Y523 HydrophobicContact CB-CG 3.93Å; N290-Y523 WeakPolarHBondContact O-CA 3.43Å; F292-Y523 AromaticContact CE2-CD1 3.61Å; F292-Y523 HydrophobicContact CE2-CD1 3.61Å; F292-Y523 AromaticContact CE2-CE1 3.89Å; F292-Y523 HydrophobicContact CE2-CE1 3.89Å; F292-Y523 HydrophobicContact CZ-CD1 4.23Å; F292-Y523 HydrophobicContact CZ-CE1 4.07Å; R505-Y523 PolarHBondContact NH2-OH 3.22Å; Y523-H556 PolarHBondContact O-NE2 2.87Å; Y523-Q558 WeakPolarHBondContact O-CA 3.42Å; Y523-I568 HydrophobicContact CD1-CD1 4.42Å; Y523-I568 HydrophobicContact CD1-CG1 3.99Å; Y523-I568 HydrophobicContact CD1-CG2 4.31Å; Y523-I568 HydrophobicContact CE1-CD1 3.81Å; Y523-I568 HydrophobicContact CE1-CG1 3.72Å; Y523-T569 VanDerWaalsContact CD1-O 3.31Å; Y523-T569 WeakPolarHBondContact CD1-O 3.28Å; Y523-T569 WeakPolarHBondContact CE1-O 3.27Å; Y523-K570 HydrophobicContact CD2-CB 4.27Å; Y523-K570 HydrophobicContact CE2-CB 4.36Å; Y523-K570 HydrophobicContact CE2-CG 4.36Å; Y523-N582 PolarHBondContact OH-ND2 2.75Å
524A98.7Very high97.8Very high0 Ų028 Ų280%018%0.181CC..EExtended strand (participates in β ladder)trans-141.3158.1-169.600000111.9N290 F291 F292 L551N290-A524 PolarHBondContact O-N 3.11Å; F291-A524 WeakPolarHBondContact CA-O 3.46Å; F291-A524 HydrophobicContact CD2-CB 3.82Å; F292-A524 PolarHBondContact N-O 3.18Å; A524-L551 HydrophobicContact CB-CD2 3.34Å
525G98.6Very high98Very high0 Ų024.1 Ų24.10%014%0.14CC..EExtended strand (participates in β ladder)trans-127.7171.8173.600000113.3F291 V527 D528F291-G525 WeakPolarHBondContact CE2-O 3.3Å; G525-V527 PolarHBondContact O-N 2.84Å; G525-D528 PolarHBondContact N-OD2 2.92Å; G525-D528 WeakPolarHBondContact O-CB 3.31Å; G525-D528 PolarHBondContact O-N 3.28Å; G525-D528 VanDerWaalsContact O-N 3.16Å
526Q98.9Very high98.2Very high0 Ų022.1 Ų22.10%013%0.131CC..G310 helixtrans-57-31.4175.9-72.9168.8-28.500113.3F291 S303 T306 M307 D475 D528 V529F291-Q526 HydrophobicContact CE1-CG 3.78Å; F291-Q526 HydrophobicContact CZ-CB 4.37Å; F291-Q526 HydrophobicContact CZ-CG 3.85Å; S303-Q526 PolarHBondContact OG-NE2 3.36Å; T306-Q526 HydrophobicContact CG2-CB 3.65Å; M307-Q526 HydrophobicContact CG-CB 4.12Å; M307-Q526 HydrophobicContact CG-CG 4.28Å; M307-Q526 HydrophobicContact SD-CB 3.84Å; M307-Q526 HydrophobicContact SD-CG 3.91Å; D475-Q526 PolarHBondContact O-NE2 3.35Å; Q526-D528 PolarHBondContact O-N 3.22Å; Q526-V529 PolarHBondContact O-N 2.9Å
527V98.6Very high98.4Very high3 Ų317.5 Ų17.52%0.01810%0.099CC..G310 helixtrans-62.1-25.8-179.374.40000112.6T306 S310 Y312 G525 V529 F547 G548T306-V527 HydrophobicContact CG2-CB 3.89Å; T306-V527 HydrophobicContact CG2-CG2 4.4Å; T306-V527 VanDerWaalsContact CG2-N 3.34Å; S310-V527 VanDerWaalsContact C-CG2 3.45Å; S310-V527 WeakPolarHBondContact CB-O 3.2Å; S310-V527 WeakPolarHBondContact O-CG2 3.22Å; S310-V527 PolarHBondContact OG-O 2.86Å; Y312-V527 HydrophobicContact CE1-CB 4Å; Y312-V527 HydrophobicContact CE1-CG1 4.12Å; Y312-V527 HydrophobicContact CE1-CG2 4.13Å; G525-V527 PolarHBondContact O-N 2.84Å; V527-V529 VanDerWaalsContact C-N 3.33Å; V527-V529 PolarHBondContact O-N 3.39Å; V527-F547 HydrophobicContact CG2-CB 3.96Å; V527-G548 WeakPolarHBondContact O-CA 3.17Å
528D98.7Very high98.5Very high8 Ų817.5 Ų17.54%0.04310%0.099CC..G310 helixtrans-79.8-11.7-175.7-61.4-49.2000113.6G525 Q526 P531 T532 G548 T549 L551 H556G525-D528 PolarHBondContact N-OD2 2.92Å; G525-D528 WeakPolarHBondContact O-CB 3.31Å; G525-D528 PolarHBondContact O-N 3.28Å; G525-D528 VanDerWaalsContact O-N 3.16Å; Q526-D528 PolarHBondContact O-N 3.22Å; D528-P531 WeakPolarHBondContact O-CD 3.27Å; D528-P531 WeakPolarHBondContact O-CG 3.28Å; D528-T532 WeakPolarHBondContact O-CB 3.27Å; D528-T532 PolarHBondContact O-N 2.92Å; D528-T532 PolarHBondContact O-OG1 3.29Å; D528-G548 VanDerWaalsContact OD1-CA 3.31Å; D528-G548 WeakPolarHBondContact OD1-CA 3.47Å; D528-T549 VanDerWaalsContact CB-O 3.27Å; D528-T549 WeakPolarHBondContact CB-O 3.47Å; D528-T549 PolarHBondContact OD1-N 3.15Å; D528-T549 PolarHBondContact OD1-OG1 3.38Å; D528-L551 HydrophobicContact CB-CD2 3.64Å; D528-L551 HydrophobicContact CB-CG 3.99Å; D528-H556 IonicContact OD1-CE1 3.36Å; D528-H556 IonicContact OD2-CE1 3.02Å
529V98.8Very high98.5Very high1 Ų117 Ų171%0.0069%0.092CC..Hα-helixtrans-72.4-47.6-172.2175.60000112.3F291 M307 M471 F508 Q526 V527 T532 I533F291-V529 HydrophobicContact CE2-CG2 3.9Å; F291-V529 HydrophobicContact CZ-CG2 3.89Å; M307-V529 HydrophobicContact CE-CB 3.77Å; M307-V529 HydrophobicContact CE-CG1 3.58Å; M307-V529 HydrophobicContact CE-CG2 3.64Å; M307-V529 HydrophobicContact SD-CB 3.72Å; M307-V529 HydrophobicContact SD-CG1 4.23Å; M307-V529 HydrophobicContact SD-CG2 3.44Å; M307-V529 WeakPolarHBondContact SD-CG2 3.23Å; M471-V529 HydrophobicContact SD-CG1 3.8Å; F508-V529 HydrophobicContact CD2-CG2 4.37Å; F508-V529 HydrophobicContact CE2-CG1 4.32Å; F508-V529 HydrophobicContact CE2-CG2 3.88Å; F508-V529 HydrophobicContact CZ-CG1 4.35Å; F508-V529 HydrophobicContact CZ-CG2 4.13Å; Q526-V529 PolarHBondContact O-N 2.9Å; V527-V529 VanDerWaalsContact C-N 3.33Å; V527-V529 PolarHBondContact O-N 3.39Å; V529-T532 WeakPolarHBondContact O-CB 3.31Å; V529-T532 PolarHBondContact O-N 3.05Å; V529-I533 HydrophobicContact CG1-CG1 3.86Å; V529-I533 WeakPolarHBondContact O-CG1 3.46Å; V529-I533 PolarHBondContact O-N 3.48Å
530M98.7Very high98.4Very high3 Ų316 Ų162%0.0159%0.087CC..Hα-helixtrans-54.4-52.7179.2175.3-177.2-179.600113.6N309 Q329 L331 I334 T532 I533 L534 M546N309-M530 VanDerWaalsContact CA-SD 3.52Å; Q329-M530 VanDerWaalsContact O-CE 3.29Å; Q329-M530 WeakPolarHBondContact O-CE 3.49Å; L331-M530 HydrophobicContact CB-CG 4.2Å; L331-M530 HydrophobicContact CD1-CG 4.33Å; I334-M530 HydrophobicContact CD1-CE 3.31Å; M530-T532 VanDerWaalsContact C-N 3.29Å; M530-T532 PolarHBondContact O-N 3.33Å; M530-I533 PolarHBondContact O-N 3.2Å; M530-L534 HydrophobicContact CE-CD1 3.97Å; M530-L534 HydrophobicContact CG-CD1 4Å; M530-L534 HydrophobicContact CG-CG 4.44Å; M530-L534 WeakPolarHBondContact O-CG 3.47Å; M530-L534 PolarHBondContact O-N 3.47Å; M530-M546 HydrophobicContact CE-CG 4.43Å; M530-M546 HydrophobicContact CE-SD 4.1Å; M530-M546 HydrophobicContact CG-SD 4.02Å; M530-M546 HydrophobicContact SD-CG 4.35Å; M530-M546 HydrophobicContact SD-SD 4.09Å
531P98.5Very high98.3Very high3 Ų314.9 Ų14.92%0.0198%0.082CC..Hα-helixtrans-61-39.3178.220.2-30.4000112.1D528 I533 L534 H535 M546D528-P531 WeakPolarHBondContact O-CD 3.27Å; D528-P531 WeakPolarHBondContact O-CG 3.28Å; P531-I533 PolarHBondContact O-N 3.16Å; P531-L534 PolarHBondContact O-N 2.81Å; P531-H535 WeakPolarHBondContact O-CB 3.39Å; P531-H535 PolarHBondContact O-N 3.33Å; P531-M546 HydrophobicContact CB-CE 3.79Å; P531-M546 HydrophobicContact CB-SD 3.99Å; P531-M546 HydrophobicContact CG-SD 4.46Å
532T98.7Very high98.2Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-57.7-50.2175.1-55.70000111.4D528 V529 M530 L534 H535 L536 D550 L551 F552D528-T532 WeakPolarHBondContact O-CB 3.27Å; D528-T532 PolarHBondContact O-N 2.92Å; D528-T532 PolarHBondContact O-OG1 3.29Å; V529-T532 WeakPolarHBondContact O-CB 3.31Å; V529-T532 PolarHBondContact O-N 3.05Å; M530-T532 VanDerWaalsContact C-N 3.29Å; M530-T532 PolarHBondContact O-N 3.33Å; T532-L534 PolarHBondContact O-N 2.99Å; T532-H535 PolarHBondContact O-N 3.14Å; T532-L536 HydrophobicContact CG2-CD1 4.18Å; T532-L536 VanDerWaalsContact O-CG 3.26Å; T532-L536 WeakPolarHBondContact O-CG 3.33Å; T532-L536 PolarHBondContact O-N 2.84Å; T532-D550 WeakPolarHBondContact OG1-CA 3.29Å; T532-L551 HydrophobicContact CG2-CB 4.13Å; T532-L551 HydrophobicContact CG2-CD1 4.46Å; T532-L551 HydrophobicContact CG2-CG 4.47Å; T532-L551 WeakPolarHBondContact OG1-CG 3.34Å; T532-L551 PolarHBondContact OG1-N 2.95Å; T532-F552 HydrophobicContact CG2-CD2 3.68Å; T532-F552 HydrophobicContact CG2-CE2 3.66Å
533I98.8Very high98.1Very high2 Ų214.6 Ų14.61%0.018%0.077CC..Hα-helixtrans-66.2-40.2-178.8-63.2-61.2000111.6I249 L331 V469 M471 I510 V529 M530 P531 L536 A537I249-I533 HydrophobicContact CD1-CG2 3.67Å; I249-I533 HydrophobicContact CG1-CG2 4.45Å; I249-I533 HydrophobicContact CG2-CG2 4.31Å; L331-I533 HydrophobicContact CD1-CB 4.34Å; L331-I533 HydrophobicContact CD1-CG2 4.01Å; L331-I533 HydrophobicContact CD2-CB 4.38Å; L331-I533 HydrophobicContact CD2-CG2 4.21Å; V469-I533 HydrophobicContact CG1-CD1 4.22Å; M471-I533 HydrophobicContact CE-CD1 4.4Å; M471-I533 HydrophobicContact CE-CG1 4.3Å; M471-I533 HydrophobicContact SD-CD1 3.66Å; M471-I533 HydrophobicContact SD-CG1 3.93Å; I510-I533 HydrophobicContact CD1-CD1 3.97Å; V529-I533 HydrophobicContact CG1-CG1 3.86Å; V529-I533 WeakPolarHBondContact O-CG1 3.46Å; V529-I533 PolarHBondContact O-N 3.48Å; M530-I533 PolarHBondContact O-N 3.2Å; P531-I533 PolarHBondContact O-N 3.16Å; I533-L536 HydrophobicContact CD1-CD1 4.34Å; I533-L536 PolarHBondContact O-N 3.15Å; I533-A537 WeakPolarHBondContact O-CB 3.48Å; I533-A537 PolarHBondContact O-N 2.69Å
534L98.8Very high98Very high0 Ų013.9 Ų13.90%07%0.074CC..Hα-helixtrans-63.2-43.3176.7-69.6177.4000111.6L331 I334 L335 M530 P531 T532 A537 G538 I539 T541 M546L331-L534 HydrophobicContact CD1-CD2 3.64Å; L331-L534 HydrophobicContact CD1-CG 3.89Å; I334-L534 HydrophobicContact CB-CD2 4.21Å; I334-L534 HydrophobicContact CD1-CD1 4.05Å; I334-L534 HydrophobicContact CG2-CD1 4.5Å; I334-L534 HydrophobicContact CG2-CD2 3.57Å; L335-L534 HydrophobicContact CD2-CD2 4.44Å; M530-L534 HydrophobicContact CE-CD1 3.97Å; M530-L534 HydrophobicContact CG-CD1 4Å; M530-L534 HydrophobicContact CG-CG 4.44Å; M530-L534 WeakPolarHBondContact O-CG 3.47Å; M530-L534 PolarHBondContact O-N 3.47Å; P531-L534 PolarHBondContact O-N 2.81Å; T532-L534 PolarHBondContact O-N 2.99Å; L534-A537 CarbonylContact O-C 3.58Å; L534-A537 PolarHBondContact O-N 2.96Å; L534-G538 PolarHBondContact O-N 2.86Å; L534-G538 VanDerWaalsContact O-N 3.09Å; L534-I539 HydrophobicContact CB-CB 4.36Å; L534-I539 HydrophobicContact CD2-CB 4.37Å; L534-I539 HydrophobicContact CD2-CD1 3.91Å; L534-I539 HydrophobicContact CD2-CG2 4.36Å; L534-I539 PolarHBondContact O-N 2.82Å; L534-T541 HydrophobicContact CB-CG2 3.73Å; L534-T541 HydrophobicContact CD1-CG2 3.94Å; L534-M546 HydrophobicContact CD1-SD 4.11Å
535H98.6Very high97.9Very high4 Ų414 Ų142%0.0198%0.075CC..Hα-helixtrans-64.8-43.4175.4-73.1-179.2000112.4P236 Y241 G242 P531 T532 A537 G538 T541 D550P236-H535 HydrophobicContact CB-CB 4.31Å; P236-H535 WeakPolarHBondContact CB-ND1 3.38Å; Y241-H535 CarbonylContact C-O 3.56Å; Y241-H535 WeakPolarHBondContact CA-O 3.43Å; Y241-H535 HydrophobicContact CD2-CB 4.01Å; Y241-H535 WeakPolarHBondContact CD2-O 3.37Å; Y241-H535 HydrophobicContact CE2-CB 4.49Å; G242-H535 PolarHBondContact N-O 3.48Å; P531-H535 WeakPolarHBondContact O-CB 3.39Å; P531-H535 PolarHBondContact O-N 3.33Å; T532-H535 PolarHBondContact O-N 3.14Å; H535-A537 VanDerWaalsContact C-N 3.25Å; H535-A537 PolarHBondContact O-N 3.49Å; H535-G538 WeakPolarHBondContact O-CA 3.48Å; H535-G538 PolarHBondContact O-N 2.86Å; H535-T541 WeakPolarHBondContact NE2-CG2 3.49Å; H535-T541 PolarHBondContact NE2-OG1 3.02Å; H535-D550 IonicContact CE1-OD2 2.73Å; H535-D550 IonicContact CG-OD2 2.74Å; H535-D550 VanDerWaalsContact ND1-CB 3.3Å; H535-D550 WeakPolarHBondContact ND1-CB 3.28Å; H535-D550 IonicContact ND1-OD2 3.91Å; H535-D550 PolarHBondContact ND1-OD2 2.87Å
536L98.8Very high97.9Very high2 Ų214.5 Ų14.51%0.018%0.077CC..Hα-helixtrans-59-37.8174.1-70.8174.6000112Y240 G242 V243 A244 K245 I510 I512 T532 I533 G538 F552Y240-L536 HydrophobicContact CD1-CD2 3.88Å; Y240-L536 HydrophobicContact CG-CD2 4.43Å; G242-L536 CarbonylContact C-O 3.59Å; G242-L536 VanDerWaalsContact CA-O 3.23Å; G242-L536 WeakPolarHBondContact CA-O 3.43Å; G242-L536 PolarHBondContact N-O 2.71Å; V243-L536 HydrophobicContact CG1-CD2 3.86Å; V243-L536 PolarHBondContact N-O 2.87Å; A244-L536 CarbonylContact C-O 3.21Å; A244-L536 WeakPolarHBondContact CA-O 3.14Å; A244-L536 HydrophobicContact CB-CB 4.04Å; A244-L536 WeakPolarHBondContact CB-O 3.43Å; A244-L536 PolarHBondContact N-O 2.77Å; K245-L536 PolarHBondContact N-O 2.84Å; I510-L536 HydrophobicContact CD1-CD1 3.75Å; I512-L536 HydrophobicContact CD1-CD1 3.85Å; I512-L536 HydrophobicContact CD1-CD2 3.79Å; I512-L536 HydrophobicContact CG1-CD1 4.09Å; I512-L536 HydrophobicContact CG1-CD2 4.46Å; I512-L536 HydrophobicContact CG2-CD2 4.32Å; T532-L536 HydrophobicContact CG2-CD1 4.18Å; T532-L536 VanDerWaalsContact O-CG 3.26Å; T532-L536 WeakPolarHBondContact O-CG 3.33Å; T532-L536 PolarHBondContact O-N 2.84Å; I533-L536 HydrophobicContact CD1-CD1 4.34Å; I533-L536 PolarHBondContact O-N 3.15Å; L536-G538 PolarHBondContact O-N 2.84Å; L536-F552 HydrophobicContact CD1-CE2 4.25Å; L536-F552 HydrophobicContact CD2-CD2 4.38Å; L536-F552 HydrophobicContact CD2-CE2 4.43Å
537A98.6Very high97.9Very high2 Ų214.9 Ų14.92%0.0178%0.079CC..THydrogen-bonded Turntrans-72.7-10.7173.900000113.4L335 Q339 I533 L534 H535 I539L335-A537 HydrophobicContact CD2-CB 4.21Å; Q339-A537 PolarHBondContact NE2-O 2.95Å; I533-A537 WeakPolarHBondContact O-CB 3.48Å; I533-A537 PolarHBondContact O-N 2.69Å; L534-A537 CarbonylContact O-C 3.58Å; L534-A537 PolarHBondContact O-N 2.96Å; H535-A537 VanDerWaalsContact C-N 3.25Å; H535-A537 PolarHBondContact O-N 3.49Å; A537-I539 HydrophobicContact CB-CD1 4.12Å; A537-I539 HydrophobicContact CB-CG1 4.24Å
538G98.3Very high97.8Very high20 Ų2015.1 Ų15.121%0.2068%0.082CC..THydrogen-bonded Turntrans75.934.6-17900000112.8Y241 G242 L534 H535 L536Y241-G538 PolarHBondContact OH-O 3.14Å; G242-G538 VanDerWaalsContact CA-CA 3.46Å; L534-G538 PolarHBondContact O-N 2.86Å; L534-G538 VanDerWaalsContact O-N 3.09Å; H535-G538 WeakPolarHBondContact O-CA 3.48Å; H535-G538 PolarHBondContact O-N 2.86Å; L536-G538 PolarHBondContact O-N 2.84Å
539I98.5Very high97.8Very high8 Ų815 Ų154%0.0418%0.082CC..  trans-99.8126.8176.7-62.7172.2000108.4I334 L335 K338 Q339 L534 A537 T541 Y544I334-I539 HydrophobicContact CG2-CD1 4.35Å; I334-I539 HydrophobicContact CG2-CG2 4.25Å; L335-I539 HydrophobicContact CD2-CD1 3.92Å; K338-I539 HydrophobicContact CB-CD1 3.92Å; K338-I539 HydrophobicContact CB-CG1 4.27Å; K338-I539 HydrophobicContact CG-CD1 4.39Å; K338-I539 HydrophobicContact CG-CG2 4.14Å; Q339-I539 HydrophobicContact CG-CD1 4.27Å; Q339-I539 HydrophobicContact CG-CG1 4.43Å; L534-I539 HydrophobicContact CB-CB 4.36Å; L534-I539 HydrophobicContact CD2-CB 4.37Å; L534-I539 HydrophobicContact CD2-CD1 3.91Å; L534-I539 HydrophobicContact CD2-CG2 4.36Å; L534-I539 PolarHBondContact O-N 2.82Å; A537-I539 HydrophobicContact CB-CD1 4.12Å; A537-I539 HydrophobicContact CB-CG1 4.24Å; I539-T541 PolarHBondContact O-N 3.03Å; I539-Y544 HydrophobicContact CG2-CE2 4.5Å
540D96.2Very high97.7Very high68 Ų6815 Ų1536%0.3648%0.082SC..  trans-69.1126.2173.7-179.1-4.7000109.5Y241 K542Y241-D540 PolarHBondContact OH-N 3.43Å; D540-K542 WeakPolarHBondContact OD1-CB 3.39Å; D540-K542 WeakPolarHBondContact OD1-CG 3.4Å; D540-K542 PolarHBondContact OD1-N 2.9Å; D540-K542 VanDerWaalsContact OD2-CD 3.27Å; D540-K542 WeakPolarHBondContact OD2-CD 3.35Å; D540-K542 VanDerWaalsContact OD2-CE 3.23Å; D540-K542 WeakPolarHBondContact OD2-CE 3.47Å; D540-K542 IonicContact OD2-NZ 2.73Å; D540-K542 PolarHBondContact OD2-NZ 3.05Å
541T96.3Very high97.7Very high10 Ų1014.9 Ų14.96%0.0618%0.081CC..  trans-98.5-3.1-17356.10000114.1Q233 L534 H535 I539 N543 Y544 M546Q233-T541 PolarHBondContact NE2-O 2.96Å; L534-T541 HydrophobicContact CB-CG2 3.73Å; L534-T541 HydrophobicContact CD1-CG2 3.94Å; H535-T541 WeakPolarHBondContact NE2-CG2 3.49Å; H535-T541 PolarHBondContact NE2-OG1 3.02Å; I539-T541 PolarHBondContact O-N 3.03Å; T541-N543 PolarHBondContact O-N 3.44Å; T541-Y544 PolarHBondContact O-N 3.42Å; T541-M546 VanDerWaalsContact CB-CE 3.44Å; T541-M546 HydrophobicContact CG2-CE 3.69Å
542K94.7Very high97.7Very high115 Ų11515.5 Ų15.550%0.58%0.083SC..THydrogen-bonded Turntrans-54.8-31.4-170.672.9-172.4174.6-139.30115Q233 D540Q233-K542 PolarHBondContact NE2-O 2.76Å; Q233-K542 PolarHBondContact OE1-O 2.86Å; D540-K542 WeakPolarHBondContact OD1-CB 3.39Å; D540-K542 WeakPolarHBondContact OD1-CG 3.4Å; D540-K542 PolarHBondContact OD1-N 2.9Å; D540-K542 VanDerWaalsContact OD2-CD 3.27Å; D540-K542 WeakPolarHBondContact OD2-CD 3.35Å; D540-K542 VanDerWaalsContact OD2-CE 3.23Å; D540-K542 WeakPolarHBondContact OD2-CE 3.47Å; D540-K542 IonicContact OD2-NZ 2.73Å; D540-K542 PolarHBondContact OD2-NZ 3.05Å
543N96.1Very high97.6Very high39 Ų3915.8 Ų15.821%0.2099%0.085CC..THydrogen-bonded Turntrans-97.86.2-178.3-72.2-39.9000113.3T541 Y621 N623 D625T541-N543 PolarHBondContact O-N 3.44Å; N543-Y621 WeakPolarHBondContact O-CE1 3.46Å; N543-Y621 PolarHBondContact O-OH 3.11Å; N543-N623 PolarHBondContact O-ND2 3.32Å; N543-D625 HydrophobicContact CB-CB 4.28Å; N543-D625 PolarHBondContact ND2-OD2 3.16Å
544Y97Very high97.4Very high3 Ų325.4 Ų25.41%0.01213%0.127CC..SBendtrans-103132.1175.9-64.2-79.1000110.3Q233 Q329 I334 K338 I539 T541 M546 D625 F626Q233-Y544 PolarHBondContact NE2-O 3.23Å; Q329-Y544 HydrophobicContact CB-CD1 4.38Å; I334-Y544 HydrophobicContact CD1-CD1 3.39Å; I334-Y544 HydrophobicContact CD1-CE1 3.34Å; I334-Y544 HydrophobicContact CD1-CE2 4.46Å; I334-Y544 HydrophobicContact CD1-CG 4.01Å; I334-Y544 HydrophobicContact CG1-CD1 4.08Å; I334-Y544 HydrophobicContact CG1-CE1 3.5Å; I334-Y544 HydrophobicContact CG2-CE1 4.27Å; I334-Y544 HydrophobicContact CG2-CE2 4.26Å; K338-Y544 VanDerWaalsContact CE-OH 3.25Å; K338-Y544 WeakPolarHBondContact CE-OH 3.42Å; I539-Y544 HydrophobicContact CG2-CE2 4.5Å; T541-Y544 PolarHBondContact O-N 3.42Å; Y544-M546 PolarHBondContact O-N 3.25Å; Y544-D625 HydrophobicContact CE2-CB 4.44Å; Y544-D625 PolarHBondContact OH-O 3.15Å; Y544-F626 HydrophobicContact CE1-CB 3.8Å; Y544-F626 AromaticContact CE1-CD2 3.96Å; Y544-F626 HydrophobicContact CE1-CD2 3.96Å; Y544-F626 HydrophobicContact CE1-CG 4.11Å
545L96.9Very high97.2Very high3 Ų327.6 Ų27.62%0.01615%0.149CC..  trans-78.6113.3174.5-171.8170.6000107.8L222 V225 L226 T229 L311 F547 V612 F618L222-L545 HydrophobicContact CD1-CD1 4.2Å; V225-L545 HydrophobicContact CB-CD1 4.27Å; V225-L545 HydrophobicContact CG1-CD1 3.66Å; V225-L545 HydrophobicContact CG1-CD2 4.08Å; V225-L545 HydrophobicContact CG1-CG 4.04Å; L226-L545 HydrophobicContact CD2-CB 4.05Å; L226-L545 HydrophobicContact CD2-CD1 4.02Å; L226-L545 HydrophobicContact CD2-CG 4.25Å; T229-L545 HydrophobicContact CG2-CD2 4.03Å; T229-L545 HydrophobicContact CG2-CG 4.11Å; L311-L545 HydrophobicContact CD2-CD2 4.04Å; L545-F547 HydrophobicContact CD2-CD2 4.19Å; L545-F547 HydrophobicContact CD2-CE2 3.66Å; L545-V612 HydrophobicContact CD1-CG2 3.97Å; L545-V612 HydrophobicContact CD2-CG2 4.14Å; L545-F618 HydrophobicContact CB-CE1 3.74Å; L545-F618 HydrophobicContact CB-CZ 3.93Å; L545-F618 HydrophobicContact CD1-CE1 4.18Å; L545-F618 HydrophobicContact CD1-CZ 4.35Å; L545-F618 HydrophobicContact CD2-CZ 4.36Å; L545-F618 HydrophobicContact CG-CE1 4.5Å; L545-F618 HydrophobicContact CG-CZ 4.46Å
546M97.8Very high97.1Very high11 Ų1128.1 Ų28.15%0.05415%0.152CC..  trans-143.1146.1-178.7-64.9-174-58.900109.4M530 P531 L534 T541 Y544M530-M546 HydrophobicContact CE-CG 4.43Å; M530-M546 HydrophobicContact CE-SD 4.1Å; M530-M546 HydrophobicContact CG-SD 4.02Å; M530-M546 HydrophobicContact SD-CG 4.35Å; M530-M546 HydrophobicContact SD-SD 4.09Å; P531-M546 HydrophobicContact CB-CE 3.79Å; P531-M546 HydrophobicContact CB-SD 3.99Å; P531-M546 HydrophobicContact CG-SD 4.46Å; L534-M546 HydrophobicContact CD1-SD 4.11Å; T541-M546 VanDerWaalsContact CB-CE 3.44Å; T541-M546 HydrophobicContact CG2-CE 3.69Å; Y544-M546 PolarHBondContact O-N 3.25Å
547F97.8Very high97Very high7 Ų730 Ų303%0.03116%0.162CC..SBendtrans-101.4-22.3176.3-74.2-95.1000113.2V225 Y228 T229 S310 L311 Y312 V527 L545 D605 M608 S609V225-F547 HydrophobicContact CG1-CZ 4.06Å; Y228-F547 HydrophobicContact CD1-CE1 4.18Å; Y228-F547 HydrophobicContact CE1-CE1 4.02Å; T229-F547 HydrophobicContact CG2-CD1 4.5Å; T229-F547 HydrophobicContact CG2-CD2 4.45Å; T229-F547 HydrophobicContact CG2-CE1 4.17Å; T229-F547 HydrophobicContact CG2-CE2 4.16Å; T229-F547 HydrophobicContact CG2-CZ 4Å; S310-F547 PolarHBondContact O-N 3.48Å; S310-F547 PolarHBondContact OG-N 3.11Å; L311-F547 HydrophobicContact CD2-CD2 3.54Å; L311-F547 HydrophobicContact CD2-CE2 3.45Å; L311-F547 VanDerWaalsContact CD2-CE2 3.45Å; Y312-F547 HydrophobicContact CE2-CB 3.92Å; Y312-F547 HydrophobicContact CE2-CD1 4.35Å; Y312-F547 HydrophobicContact CE2-CG 4.22Å; V527-F547 HydrophobicContact CG2-CB 3.96Å; L545-F547 HydrophobicContact CD2-CD2 4.19Å; L545-F547 HydrophobicContact CD2-CE2 3.66Å; F547-D605 HydrophobicContact CD1-CB 4.17Å; F547-D605 WeakPolarHBondContact CE1-O 3.43Å; F547-M608 HydrophobicContact CE1-CB 3.62Å; F547-M608 HydrophobicContact CZ-CB 3.58Å; F547-S609 VanDerWaalsContact CZ-N 3.35Å
548G97.9Very high96.9Very high9 Ų932.4 Ų32.49%0.09317%0.173CC..  trans-81.6169.3175.500000112.5S310 V527 D528S310-G548 WeakPolarHBondContact OG-CA 3.32Å; S310-G548 PolarHBondContact OG-N 3.08Å; V527-G548 WeakPolarHBondContact O-CA 3.17Å; D528-G548 VanDerWaalsContact OD1-CA 3.31Å; D528-G548 WeakPolarHBondContact OD1-CA 3.47Å
549T97.6Very high97Very high5 Ų532.2 Ų32.23%0.03117%0.167CC..  trans-128.2152.6-179.756.70000110.4T234 D528 L551 H556 N557T234-T549 HydrophobicContact CG2-CG2 3.53Å; D528-T549 VanDerWaalsContact CB-O 3.27Å; D528-T549 WeakPolarHBondContact CB-O 3.47Å; D528-T549 PolarHBondContact OD1-N 3.15Å; D528-T549 PolarHBondContact OD1-OG1 3.38Å; T549-L551 PolarHBondContact O-N 3.26Å; T549-H556 PolarHBondContact OG1-ND1 3.47Å; T549-N557 HydrophobicContact CG2-CB 4.11Å; T549-N557 PolarHBondContact OG1-N 3.39Å
550D97.8Very high97Very high2 Ų231.9 Ų31.91%0.01117%0.166CC..  trans-64.7121.9-179.7170.58.3000111T532 H535 F552 S553T532-D550 WeakPolarHBondContact OG1-CA 3.29Å; H535-D550 IonicContact CE1-OD2 2.73Å; H535-D550 IonicContact CG-OD2 2.74Å; H535-D550 VanDerWaalsContact ND1-CB 3.3Å; H535-D550 WeakPolarHBondContact ND1-CB 3.28Å; H535-D550 IonicContact ND1-OD2 3.91Å; H535-D550 PolarHBondContact ND1-OD2 2.87Å; D550-F552 PolarHBondContact O-N 3.21Å; D550-F552 VanDerWaalsContact O-N 3.13Å; D550-F552 PolarHBondContact OD1-N 3.39Å; D550-S553 WeakPolarHBondContact O-CB 3.49Å; D550-S553 PolarHBondContact O-N 2.79Å
551L98.1Very high97.1Very high0 Ų028.8 Ų28.80%015%0.149CC..THydrogen-bonded Turntrans-60.5-19.6-178.1-66.6176.2000114.2F288 F508 A524 D528 T532 T549F288-L551 HydrophobicContact CE1-CB 3.98Å; F288-L551 HydrophobicContact CE1-CD1 4.25Å; F288-L551 HydrophobicContact CE1-CD2 4.46Å; F288-L551 HydrophobicContact CE1-CG 4.47Å; F288-L551 HydrophobicContact CZ-CB 4.06Å; F288-L551 HydrophobicContact CZ-CD1 4.25Å; F508-L551 HydrophobicContact CD1-CD1 4.05Å; F508-L551 HydrophobicContact CE1-CD1 3.83Å; A524-L551 HydrophobicContact CB-CD2 3.34Å; D528-L551 HydrophobicContact CB-CD2 3.64Å; D528-L551 HydrophobicContact CB-CG 3.99Å; T532-L551 HydrophobicContact CG2-CB 4.13Å; T532-L551 HydrophobicContact CG2-CD1 4.46Å; T532-L551 HydrophobicContact CG2-CG 4.47Å; T532-L551 WeakPolarHBondContact OG1-CG 3.34Å; T532-L551 PolarHBondContact OG1-N 2.95Å; T549-L551 PolarHBondContact O-N 3.26Å
552F97.6Very high97.1Very high15 Ų1528.9 Ų28.97%0.06615%0.149CC..THydrogen-bonded Turntrans-99.4-7.8176.4-60.2-69.6000112.5N237 Y240 T286 F288 I510 I512 T532 L536 D550N237-F552 HydrophobicContact CB-CB 4.28Å; N237-F552 WeakPolarHBondContact CB-O 3.26Å; N237-F552 PolarHBondContact ND2-O 3.07Å; Y240-F552 HydrophobicContact CD1-CB 4.35Å; Y240-F552 HydrophobicContact CD1-CD1 4.07Å; Y240-F552 AromaticContact CD1-CD2 3.98Å; Y240-F552 HydrophobicContact CD1-CD2 3.98Å; Y240-F552 HydrophobicContact CD1-CE1 4.39Å; Y240-F552 HydrophobicContact CD1-CE2 4.31Å; Y240-F552 AromaticContact CD1-CG 3.85Å; Y240-F552 HydrophobicContact CD1-CG 3.85Å; Y240-F552 HydrophobicContact CD2-CB 3.93Å; Y240-F552 HydrophobicContact CD2-CD1 4.39Å; Y240-F552 HydrophobicContact CD2-CG 4.2Å; Y240-F552 AromaticContact CE1-CD1 3.74Å; Y240-F552 HydrophobicContact CE1-CD1 3.74Å; Y240-F552 HydrophobicContact CE1-CD2 4.37Å; Y240-F552 AromaticContact CE1-CE1 3.82Å; Y240-F552 HydrophobicContact CE1-CE1 3.82Å; Y240-F552 HydrophobicContact CE1-CE2 4.45Å; Y240-F552 HydrophobicContact CE1-CG 4.03Å; Y240-F552 HydrophobicContact CE1-CZ 4.19Å; Y240-F552 HydrophobicContact CE2-CB 4.38Å; Y240-F552 HydrophobicContact CE2-CD1 4.11Å; Y240-F552 HydrophobicContact CE2-CG 4.38Å; Y240-F552 HydrophobicContact CG-CB 3.91Å; Y240-F552 HydrophobicContact CG-CD1 4.37Å; Y240-F552 HydrophobicContact CG-CD2 4.3Å; Y240-F552 AromaticContact CG-CG 3.93Å; Y240-F552 HydrophobicContact CG-CG 3.93Å; Y240-F552 AromaticContact CZ-CD1 3.76Å; T286-F552 HydrophobicContact CG2-CE1 4.49Å; F288-F552 HydrophobicContact CE2-CE1 4.43Å; F288-F552 HydrophobicContact CE2-CZ 4.25Å; F288-F552 AromaticContact CZ-CE1 3.89Å; F288-F552 HydrophobicContact CZ-CE1 3.89Å; F288-F552 AromaticContact CZ-CZ 3.98Å; F288-F552 HydrophobicContact CZ-CZ 3.98Å; I510-F552 HydrophobicContact CG2-CZ 3.94Å; I512-F552 HydrophobicContact CD1-CE2 3.71Å; I512-F552 HydrophobicContact CD1-CZ 3.67Å; T532-F552 HydrophobicContact CG2-CD2 3.68Å; T532-F552 HydrophobicContact CG2-CE2 3.66Å; L536-F552 HydrophobicContact CD1-CE2 4.25Å; L536-F552 HydrophobicContact CD2-CD2 4.38Å; L536-F552 HydrophobicContact CD2-CE2 4.43Å; D550-F552 PolarHBondContact O-N 3.21Å; D550-F552 VanDerWaalsContact O-N 3.13Å; D550-F552 PolarHBondContact OD1-N 3.39Å
553S97Very high97.2Very high6 Ų624 Ų244%0.04213%0.128CC..SBendtrans-67.6141.1177.7-178.30000111.1E235 D550 G555 H556E235-S553 VanDerWaalsContact O-CB 3.32Å; E235-S553 WeakPolarHBondContact O-CB 3.49Å; E235-S553 PolarHBondContact O-OG 3.03Å; D550-S553 WeakPolarHBondContact O-CB 3.49Å; D550-S553 PolarHBondContact O-N 2.79Å; S553-G555 PolarHBondContact O-N 3.47Å; S553-G555 PolarHBondContact OG-N 2.97Å; S553-G555 VanDerWaalsContact OG-N 3.07Å; S553-H556 WeakPolarHBondContact O-CB 3.33Å; S553-H556 PolarHBondContact O-N 3.21Å; S553-H556 VanDerWaalsContact O-N 3.12Å
554K95.1Very high97Very high205 Ų20524 Ų2489%0.89113%0.127SC*.THydrogen-bonded Turntrans-62.5-20.3169.5-65.2-176179.1179.50112.8
555G94.7Very high96.8Very high45 Ų4524.2 Ų24.246%0.46413%0.131SC..THydrogen-bonded Turntrans-94.37.5177.800000114.1T234 S553 N557T234-G555 WeakPolarHBondContact CG2-O 3.5Å; S553-G555 PolarHBondContact O-N 3.47Å; S553-G555 PolarHBondContact OG-N 2.97Å; S553-G555 VanDerWaalsContact OG-N 3.07Å; G555-N557 PolarHBondContact O-N 3.39Å
556H97.4Very high96.8Very high16 Ų1624.5 Ų24.57%0.07413%0.132CC..  trans-51.5128.5-177.8175.548.3000111.9E522 Y523 D528 T549 S553 Q558E522-H556 IonicContact OE2-CD2 3.54Å; E522-H556 PolarHBondContact OE2-CD2 3.02Å; Y523-H556 PolarHBondContact O-NE2 2.87Å; D528-H556 IonicContact OD1-CE1 3.36Å; D528-H556 IonicContact OD2-CE1 3.02Å; T549-H556 PolarHBondContact OG1-ND1 3.47Å; S553-H556 WeakPolarHBondContact O-CB 3.33Å; S553-H556 PolarHBondContact O-N 3.21Å; S553-H556 VanDerWaalsContact O-N 3.12Å; H556-Q558 PolarHBondContact O-N 3.39Å
557N95.6Very high96.8Very high42 Ų4224 Ų2423%0.22513%0.13CC..  trans-84.3106.7-179.1177.427.1000110.9R232 T549 G555 V559R232-N557 PolarHBondContact NH2-ND2 3.29Å; R232-N557 VanDerWaalsContact NH2-ND2 3.15Å; T549-N557 HydrophobicContact CG2-CB 4.11Å; T549-N557 PolarHBondContact OG1-N 3.39Å; G555-N557 PolarHBondContact O-N 3.39Å; N557-V559 PolarHBondContact O-N 2.99Å; N557-V559 PolarHBondContact OD1-N 3.48Å
558Q97.6Very high96.8Very high52 Ų5223.6 Ų23.624%0.24313%0.128CC..  trans-84.814.3-178.9-68-175.362.400114.6E522 Y523 H556E522-Q558 HydrophobicContact CB-CG 4.26Å; Y523-Q558 WeakPolarHBondContact O-CA 3.42Å; H556-Q558 PolarHBondContact O-N 3.39Å
559V98.5Very high96.8Very high15 Ų1523.5 Ų23.59%0.09113%0.126CC..  trans-92.1107.3170-177.80000108.1N557 P561 F567 T569 N598 V602N557-V559 PolarHBondContact O-N 2.99Å; N557-V559 PolarHBondContact OD1-N 3.48Å; V559-P561 VanDerWaalsContact O-CD 3.29Å; V559-P561 WeakPolarHBondContact O-CD 3.41Å; V559-F567 HydrophobicContact CG1-CD2 4.06Å; V559-T569 HydrophobicContact CG1-CG2 4.46Å; V559-T569 HydrophobicContact CG2-CG2 4.18Å; V559-N598 HydrophobicContact CG1-CB 4.16Å; V559-N598 HydrophobicContact CG2-CB 4.35Å; V559-V602 HydrophobicContact CG1-CG2 3.81Å
560V98.7Very high96.8Very high1 Ų129.7 Ų29.71%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-101107.8-175.4-173.90000109.7F292 Q294 F567 I568F292-V560 HydrophobicContact CB-CG1 4.16Å; Q294-V560 HydrophobicContact CG-CG1 4.31Å; V560-F567 VanDerWaalsContact O-CA 3.27Å; V560-F567 WeakPolarHBondContact O-CA 3.36Å; V560-F567 WeakPolarHBondContact O-CB 3.4Å; V560-I568 HydrophobicContact CB-CG2 3.85Å; V560-I568 HydrophobicContact CG2-CG2 4.49Å; V560-I568 PolarHBondContact N-O 3.1Å; V560-I568 PolarHBondContact O-N 2.87Å
561P98.3Very high96.8Very high3 Ų334.8 Ų34.82%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-75.1142.8174.528.8-33.2000111.3Q294 Y312 V559 V602Q294-P561 WeakPolarHBondContact CG-O 3.36Å; Q294-P561 PolarHBondContact NE2-O 3.43Å; Y312-P561 HydrophobicContact CE1-CG 3.62Å; Y312-P561 HydrophobicContact CE2-CG 4.38Å; Y312-P561 VanDerWaalsContact CZ-CG 3.45Å; Y312-P561 WeakPolarHBondContact OH-CG 3.48Å; V559-P561 VanDerWaalsContact O-CD 3.29Å; V559-P561 WeakPolarHBondContact O-CD 3.41Å; P561-V602 HydrophobicContact CB-CB 4.28Å; P561-V602 HydrophobicContact CB-CG1 3.71Å; P561-V602 HydrophobicContact CB-CG2 4.03Å
562F97.7Very high96.8Very high12 Ų1234.9 Ų34.95%0.05318%0.18CC..  trans-98.2158.8163.7-62.5-62.6000110.3F292 T501 N504 N564 G565 D566 I568F292-F562 HydrophobicContact CB-CE1 3.92Å; F292-F562 HydrophobicContact CB-CZ 4.36Å; F292-F562 HydrophobicContact CD1-CE1 4.02Å; F292-F562 AromaticContact CD1-CZ 3.75Å; F292-F562 HydrophobicContact CD1-CZ 3.75Å; F292-F562 HydrophobicContact CE1-CZ 4.33Å; F292-F562 HydrophobicContact CG-CE1 4.24Å; F292-F562 HydrophobicContact CG-CZ 4.2Å; T501-F562 HydrophobicContact CG2-CE2 3.56Å; T501-F562 HydrophobicContact CG2-CZ 3.9Å; N504-F562 HydrophobicContact CB-CE1 4.4Å; F562-N564 WeakPolarHBondContact CB-OD1 3.46Å; F562-N564 PolarHBondContact O-N 3.06Å; F562-N564 VanDerWaalsContact O-N 3.12Å; F562-G565 PolarHBondContact O-N 2.98Å; F562-D566 HydrophobicContact CB-CB 4.36Å; F562-D566 WeakPolarHBondContact CB-O 3.5Å; F562-D566 HydrophobicContact CD2-CB 3.94Å; F562-D566 PolarHBondContact N-O 3.29Å; F562-I568 HydrophobicContact CE2-CB 4.22Å; F562-I568 HydrophobicContact CE2-CG2 3.98Å; F562-I568 HydrophobicContact CZ-CB 4.5Å; F562-I568 HydrophobicContact CZ-CG2 3.85Å
563R95.2Very high96.9Very high13 Ų1334.2 Ų34.25%0.04918%0.177CC..THydrogen-bonded Turntrans-61.7-27.6-173.3-17064.1-161.489.8-21.7113.6F185 G313 L314 P315 G565 D610F185-R563 VanDerWaalsContact CB-NH1 3.27Å; F185-R563 WeakPolarHBondContact CB-O 3.41Å; G313-R563 WeakPolarHBondContact O-CD 3.48Å; G313-R563 PolarHBondContact O-NE 3.35Å; G313-R563 PolarHBondContact O-NH2 3.18Å; L314-R563 PolarHBondContact O-NE 3.39Å; L314-R563 VanDerWaalsContact O-NE 3.15Å; P315-R563 VanDerWaalsContact CA-CZ 3.42Å; P315-R563 VanDerWaalsContact CB-NH2 3.34Å; P315-R563 VanDerWaalsContact CG-NH2 3.33Å; P315-R563 VanDerWaalsContact N-CZ 3.32Å; R563-G565 VanDerWaalsContact C-N 3.27Å; R563-G565 PolarHBondContact O-N 2.62Å; R563-D610 IonicContact CZ-OD1 3.51Å; R563-D610 IonicContact CZ-OD2 2.87Å; R563-D610 IonicContact NH2-OD1 3.59Å; R563-D610 PolarHBondContact NH2-OD1 3.07Å; R563-D610 IonicContact NH2-OD2 2.9Å; R563-D610 PolarHBondContact NH2-OD2 3.17Å
564N91.9Very high96.8Very high38 Ų3835.1 Ų35.120%0.20318%0.18CC..THydrogen-bonded Turntrans-83.45.9176.770.2-24.3000114.1F185 F562 D566F185-N564 VanDerWaalsContact CD2-O 3.23Å; F185-N564 WeakPolarHBondContact CD2-O 3.47Å; F185-N564 WeakPolarHBondContact CE2-O 3.4Å; F562-N564 WeakPolarHBondContact CB-OD1 3.46Å; F562-N564 PolarHBondContact O-N 3.06Å; F562-N564 VanDerWaalsContact O-N 3.12Å; N564-D566 PolarHBondContact ND2-OD2 3.21Å; N564-D566 PolarHBondContact O-N 3.13Å; N564-D566 WeakPolarHBondContact OD1-CB 3.36Å; N564-D566 PolarHBondContact OD1-N 3.23Å
565G93.8Very high96.7Very high9 Ų925.5 Ų25.59%0.09314%0.138CC..SBendtrans78.5-0.2-17900000115.4F185 F562 R563F185-G565 VanDerWaalsContact CE2-CA 3.48Å; F562-G565 PolarHBondContact O-N 2.98Å; R563-G565 VanDerWaalsContact C-N 3.27Å; R563-G565 PolarHBondContact O-N 2.62Å
566D95.9Very high96.3Very high8 Ų824.1 Ų24.14%0.04312%0.12CC..  trans-62.2158.7157.9-73.2-23.1000108.9F562 N564 Y574 V575 N576F562-D566 HydrophobicContact CB-CB 4.36Å; F562-D566 WeakPolarHBondContact CB-O 3.5Å; F562-D566 HydrophobicContact CD2-CB 3.94Å; F562-D566 PolarHBondContact N-O 3.29Å; N564-D566 PolarHBondContact ND2-OD2 3.21Å; N564-D566 PolarHBondContact O-N 3.13Å; N564-D566 WeakPolarHBondContact OD1-CB 3.36Å; N564-D566 PolarHBondContact OD1-N 3.23Å; D566-Y574 WeakPolarHBondContact CA-O 3.35Å; D566-Y574 WeakPolarHBondContact CB-O 3.25Å; D566-V575 WeakPolarHBondContact OD1-CA 3.42Å; D566-N576 PolarHBondContact OD1-N 2.88Å; D566-N576 PolarHBondContact OD2-N 3.38Å
567F98.4Very high95.7Very high0 Ų024.8 Ų24.80%013%0.131CC..EExtended strand (participates in β ladder)trans-154.2161.5177.464.1-88.8000112V559 V560 T569 Y572 K573 Y574 F595 N598 K599 V602V559-F567 HydrophobicContact CG1-CD2 4.06Å; V560-F567 VanDerWaalsContact O-CA 3.27Å; V560-F567 WeakPolarHBondContact O-CA 3.36Å; V560-F567 WeakPolarHBondContact O-CB 3.4Å; F567-T569 HydrophobicContact CD2-CG2 3.99Å; F567-T569 HydrophobicContact CE2-CG2 3.98Å; F567-Y572 AromaticContact CE2-CE2 3.57Å; F567-Y572 HydrophobicContact CE2-CE2 3.57Å; F567-Y572 HydrophobicContact CZ-CE2 4.06Å; F567-K573 CarbonylContact O-C 3.5Å; F567-K573 WeakPolarHBondContact O-CA 3.37Å; F567-Y574 AromaticContact CD1-CD1 3.9Å; F567-Y574 HydrophobicContact CD1-CD1 3.9Å; F567-Y574 HydrophobicContact CD1-CG 4.24Å; F567-Y574 VanDerWaalsContact CE1-CB 3.46Å; F567-Y574 AromaticContact CE1-CD1 3.66Å; F567-Y574 HydrophobicContact CE1-CD1 3.66Å; F567-Y574 AromaticContact CE1-CG 3.8Å; F567-Y574 HydrophobicContact CE1-CG 3.8Å; F567-Y574 HydrophobicContact CZ-CG 4.4Å; F567-Y574 PolarHBondContact N-O 3.03Å; F567-Y574 VanDerWaalsContact N-O 3.11Å; F567-Y574 PolarHBondContact O-N 3.13Å; F567-F595 HydrophobicContact CE1-CE2 4.24Å; F567-F595 AromaticContact CZ-CD2 3.92Å; F567-F595 HydrophobicContact CZ-CD2 3.92Å; F567-F595 AromaticContact CZ-CE2 3.84Å; F567-F595 HydrophobicContact CZ-CE2 3.84Å; F567-N598 HydrophobicContact CE2-CB 3.75Å; F567-N598 HydrophobicContact CZ-CB 4.09Å; F567-K599 HydrophobicContact CE1-CB 3.87Å; F567-K599 HydrophobicContact CE1-CG 4.24Å; F567-K599 HydrophobicContact CZ-CB 4.13Å; F567-V602 HydrophobicContact CB-CG1 4.32Å; F567-V602 HydrophobicContact CB-CG2 3.6Å; F567-V602 HydrophobicContact CD1-CB 4.32Å; F567-V602 HydrophobicContact CD1-CG1 4.36Å; F567-V602 HydrophobicContact CD1-CG2 3.93Å; F567-V602 HydrophobicContact CD2-CG2 4.35Å; F567-V602 HydrophobicContact CG-CG2 3.73Å
568I98.7Very high95.5Very high0 Ų025.5 Ų25.50%013%0.132CC..EExtended strand (participates in β ladder)trans-129.4139.1175.9-171.7156.8000110.5F292 Y523 V560 F562 K573F292-I568 HydrophobicContact CD1-CG2 4.48Å; F292-I568 HydrophobicContact CD2-CG2 4.1Å; F292-I568 HydrophobicContact CE1-CD1 4.11Å; F292-I568 HydrophobicContact CE1-CG2 4.31Å; F292-I568 HydrophobicContact CE2-CD1 4.45Å; F292-I568 HydrophobicContact CE2-CG2 3.95Å; F292-I568 HydrophobicContact CG-CG2 4.38Å; F292-I568 HydrophobicContact CZ-CD1 3.69Å; F292-I568 HydrophobicContact CZ-CG1 4.49Å; F292-I568 HydrophobicContact CZ-CG2 4.05Å; Y523-I568 HydrophobicContact CD1-CD1 4.42Å; Y523-I568 HydrophobicContact CD1-CG1 3.99Å; Y523-I568 HydrophobicContact CD1-CG2 4.31Å; Y523-I568 HydrophobicContact CE1-CD1 3.81Å; Y523-I568 HydrophobicContact CE1-CG1 3.72Å; V560-I568 HydrophobicContact CB-CG2 3.85Å; V560-I568 HydrophobicContact CG2-CG2 4.49Å; V560-I568 PolarHBondContact N-O 3.1Å; V560-I568 PolarHBondContact O-N 2.87Å; F562-I568 HydrophobicContact CE2-CB 4.22Å; F562-I568 HydrophobicContact CE2-CG2 3.98Å; F562-I568 HydrophobicContact CZ-CB 4.5Å; F562-I568 HydrophobicContact CZ-CG2 3.85Å; I568-K573 HydrophobicContact CB-CB 4.06Å; I568-K573 HydrophobicContact CD1-CB 3.92Å; I568-K573 HydrophobicContact CD1-CD 4.35Å; I568-K573 HydrophobicContact CG1-CB 3.83Å
569T98.2Very high95.4Very high6 Ų624 Ų244%0.03713%0.126CC..  trans-114.2-170.617476.20000109.1Y523 V559 F567 D571 Y572 N582Y523-T569 VanDerWaalsContact CD1-O 3.31Å; Y523-T569 WeakPolarHBondContact CD1-O 3.28Å; Y523-T569 WeakPolarHBondContact CE1-O 3.27Å; V559-T569 HydrophobicContact CG1-CG2 4.46Å; V559-T569 HydrophobicContact CG2-CG2 4.18Å; F567-T569 HydrophobicContact CD2-CG2 3.99Å; F567-T569 HydrophobicContact CE2-CG2 3.98Å; T569-D571 PolarHBondContact OG1-N 2.96Å; T569-Y572 HydrophobicContact CG2-CD2 4.47Å; T569-Y572 HydrophobicContact CG2-CE1 4.05Å; T569-Y572 HydrophobicContact CG2-CE2 3.97Å; T569-Y572 PolarHBondContact N-O 3.41Å; T569-Y572 WeakPolarHBondContact OG1-CD1 3.34Å; T569-Y572 PolarHBondContact OG1-N 2.84Å; T569-Y572 VanDerWaalsContact OG1-N 3.16Å; T569-Y572 PolarHBondContact OG1-O 3.35Å; T569-Y572 VanDerWaalsContact OG1-O 3.09Å; T569-N582 PolarHBondContact O-ND2 3.07Å
570K97.1Very high95.4Very high135 Ų13524.1 Ų24.159%0.58713%0.125SC*.SBendtrans-64.8-40.7169.8-177.4179.5175-178.60112.9Y523 N582Y523-K570 HydrophobicContact CD2-CB 4.27Å; Y523-K570 HydrophobicContact CE2-CB 4.36Å; Y523-K570 HydrophobicContact CE2-CG 4.36Å; K570-N582 PolarHBondContact O-ND2 3.06Å
571D97.5Very high95.4Very high109 Ų10925.3 Ų25.358%0.58313%0.133SC*.SBendtrans-98.8-29.7-166.3-60.3-44.9000113.4T569 N582T569-D571 PolarHBondContact OG1-N 2.96Å; D571-N582 PolarHBondContact O-N 3.45Å
572Y98.4Very high95.3Very high3 Ų326.4 Ų26.41%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-148.8169.1-176.366.2-89.6000112.4F567 T569 I579 Y580 N582 P592 D594 F595 N598F567-Y572 AromaticContact CE2-CE2 3.57Å; F567-Y572 HydrophobicContact CE2-CE2 3.57Å; F567-Y572 HydrophobicContact CZ-CE2 4.06Å; T569-Y572 HydrophobicContact CG2-CD2 4.47Å; T569-Y572 HydrophobicContact CG2-CE1 4.05Å; T569-Y572 HydrophobicContact CG2-CE2 3.97Å; T569-Y572 PolarHBondContact N-O 3.41Å; T569-Y572 WeakPolarHBondContact OG1-CD1 3.34Å; T569-Y572 PolarHBondContact OG1-N 2.84Å; T569-Y572 VanDerWaalsContact OG1-N 3.16Å; T569-Y572 PolarHBondContact OG1-O 3.35Å; T569-Y572 VanDerWaalsContact OG1-O 3.09Å; Y572-I579 HydrophobicContact CD2-CG2 3.68Å; Y572-I579 HydrophobicContact CE2-CG2 4.44Å; Y572-I579 HydrophobicContact CG-CG2 4.02Å; Y572-Y580 CarbonylContact C-O 3.49Å; Y572-Y580 WeakPolarHBondContact CA-O 3.43Å; Y572-Y580 VanDerWaalsContact CB-O 3.26Å; Y572-Y580 WeakPolarHBondContact CB-O 3.36Å; Y572-N582 VanDerWaalsContact C-OD1 3.31Å; Y572-N582 PolarHBondContact N-ND2 2.92Å; Y572-N582 PolarHBondContact O-ND2 3.27Å; Y572-P592 HydrophobicContact CD1-CB 4Å; Y572-P592 HydrophobicContact CD1-CG 3.7Å; Y572-P592 HydrophobicContact CD2-CG 4.47Å; Y572-P592 HydrophobicContact CE1-CB 3.69Å; Y572-P592 HydrophobicContact CE1-CG 3.84Å; Y572-P592 HydrophobicContact CG-CG 4.03Å; Y572-D594 VanDerWaalsContact CE1-OD1 3.22Å; Y572-D594 WeakPolarHBondContact CE1-OD1 3.23Å; Y572-D594 PolarHBondContact OH-OD1 3.32Å; Y572-F595 AromaticContact CE2-CD2 3.92Å; Y572-F595 HydrophobicContact CE2-CD2 3.92Å; Y572-F595 VanDerWaalsContact OH-CA 3.31Å; Y572-F595 WeakPolarHBondContact OH-CA 3.44Å; Y572-N598 PolarHBondContact OH-ND2 2.97Å
573K98.3Very high95.1Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-130140.7169.966.9-169.392.4177.80110.7A498 T501 D502 F567 I568 V575 I579 Y580 N582 N585A498-K573 HydrophobicContact CB-CD 4.21Å; A498-K573 PolarHBondContact O-NZ 3.31Å; T501-K573 HydrophobicContact CG2-CD 4.08Å; D502-K573 IonicContact OD1-NZ 3.81Å; D502-K573 PolarHBondContact OD1-NZ 2.84Å; D502-K573 IonicContact OD2-NZ 3.35Å; D502-K573 PolarHBondContact OD2-NZ 2.94Å; F567-K573 CarbonylContact O-C 3.5Å; F567-K573 WeakPolarHBondContact O-CA 3.37Å; I568-K573 HydrophobicContact CB-CB 4.06Å; I568-K573 HydrophobicContact CD1-CB 3.92Å; I568-K573 HydrophobicContact CD1-CD 4.35Å; I568-K573 HydrophobicContact CG1-CB 3.83Å; K573-V575 HydrophobicContact CB-CG2 4.1Å; K573-V575 HydrophobicContact CD-CG2 3.95Å; K573-V575 HydrophobicContact CG-CG2 3.75Å; K573-I579 WeakPolarHBondContact O-CA 3.38Å; K573-Y580 HydrophobicContact CG-CD2 4.48Å; K573-Y580 PolarHBondContact N-O 3.23Å; K573-Y580 PolarHBondContact O-N 2.83Å; K573-N582 WeakPolarHBondContact CE-OD1 3.2Å; K573-N582 PolarHBondContact N-OD1 2.68Å; K573-N585 WeakPolarHBondContact CE-OD1 3.29Å; K573-N585 PolarHBondContact NZ-OD1 2.81Å
574Y96.5Very high95.2Very high25 Ų2538 Ų3810%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-99.4114170.1-177.9-119000108.4D566 F567 G577 K578 I579 F595D566-Y574 WeakPolarHBondContact CA-O 3.35Å; D566-Y574 WeakPolarHBondContact CB-O 3.25Å; F567-Y574 AromaticContact CD1-CD1 3.9Å; F567-Y574 HydrophobicContact CD1-CD1 3.9Å; F567-Y574 HydrophobicContact CD1-CG 4.24Å; F567-Y574 VanDerWaalsContact CE1-CB 3.46Å; F567-Y574 AromaticContact CE1-CD1 3.66Å; F567-Y574 HydrophobicContact CE1-CD1 3.66Å; F567-Y574 AromaticContact CE1-CG 3.8Å; F567-Y574 HydrophobicContact CE1-CG 3.8Å; F567-Y574 HydrophobicContact CZ-CG 4.4Å; F567-Y574 PolarHBondContact N-O 3.03Å; F567-Y574 VanDerWaalsContact N-O 3.11Å; F567-Y574 PolarHBondContact O-N 3.13Å; Y574-G577 WeakPolarHBondContact OH-CA 3.43Å; Y574-K578 CarbonylContact C-O 3.47Å; Y574-K578 WeakPolarHBondContact CA-O 3.3Å; Y574-K578 WeakPolarHBondContact CD2-O 3.49Å; Y574-I579 HydrophobicContact CD2-CG1 4.15Å; Y574-F595 AromaticContact CD2-CE2 3.54Å; Y574-F595 HydrophobicContact CD2-CE2 3.54Å; Y574-F595 AromaticContact CD2-CZ 3.71Å; Y574-F595 HydrophobicContact CD2-CZ 3.71Å; Y574-F595 HydrophobicContact CE2-CE2 4.03Å; Y574-F595 AromaticContact CE2-CZ 3.68Å; Y574-F595 HydrophobicContact CE2-CZ 3.68Å; Y574-F595 AromaticContact CG-CE2 3.85Å; Y574-F595 HydrophobicContact CG-CE2 3.85Å; Y574-F595 HydrophobicContact CG-CZ 4.27Å
575V93.1Very high95.4Very high3 Ų337.9 Ų37.92%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-138.4125.1-173.6-179.10000109P497 T501 D566 K573 G577 K578 Y580P497-V575 HydrophobicContact CB-CG1 4.1Å; T501-V575 HydrophobicContact CG2-CG2 3.83Å; T501-V575 WeakPolarHBondContact OG1-CG1 3.45Å; T501-V575 WeakPolarHBondContact OG1-CG2 3.37Å; D566-V575 WeakPolarHBondContact OD1-CA 3.42Å; K573-V575 HydrophobicContact CB-CG2 4.1Å; K573-V575 HydrophobicContact CD-CG2 3.95Å; K573-V575 HydrophobicContact CG-CG2 3.75Å; V575-G577 PolarHBondContact O-N 3.31Å; V575-K578 PolarHBondContact N-O 2.87Å; V575-K578 PolarHBondContact O-N 3.04Å; V575-K578 VanDerWaalsContact O-N 3.11Å; V575-Y580 HydrophobicContact CB-CD2 4.22Å; V575-Y580 HydrophobicContact CB-CE2 4.07Å
576N85.3Confident95.5Very high16 Ų1643.4 Ų43.49%0.08622%0.216CC..THydrogen-bonded Turntrans47.749.9178.6-65.3-34.7000112Y189 D566 K578Y189-N576 HydrophobicContact CE2-CB 4.45Å; Y189-N576 PolarHBondContact OH-O 2.93Å; D566-N576 PolarHBondContact OD1-N 2.88Å; D566-N576 PolarHBondContact OD2-N 3.38Å; N576-K578 VanDerWaalsContact C-N 3.28Å; N576-K578 PolarHBondContact O-N 3.25Å
577G85.2Confident95.5Very high30 Ų3047.2 Ų47.231%0.30924%0.236SC..THydrogen-bonded Turntrans74.98.5175.300000116.1Y189 Y574 V575Y189-G577 VanDerWaalsContact OH-CA 3.24Å; Y189-G577 WeakPolarHBondContact OH-CA 3.49Å; Y189-G577 PolarHBondContact OH-N 3.26Å; Y189-G577 VanDerWaalsContact OH-N 3.16Å; Y574-G577 WeakPolarHBondContact OH-CA 3.43Å; V575-G577 PolarHBondContact O-N 3.31Å
578K90.5Very high95.4Very high57 Ų5749.9 Ų49.925%0.24825%0.249CC..EExtended strand (participates in β ladder)trans-130.2151.2-177-69.6174.1-171.7137.60111.5K38 Y574 V575 N576 Y580 L587K38-K578 VanDerWaalsContact CD-NZ 3.32Å; Y574-K578 CarbonylContact C-O 3.47Å; Y574-K578 WeakPolarHBondContact CA-O 3.3Å; Y574-K578 WeakPolarHBondContact CD2-O 3.49Å; V575-K578 PolarHBondContact N-O 2.87Å; V575-K578 PolarHBondContact O-N 3.04Å; V575-K578 VanDerWaalsContact O-N 3.11Å; N576-K578 VanDerWaalsContact C-N 3.28Å; N576-K578 PolarHBondContact O-N 3.25Å; K578-Y580 HydrophobicContact CB-CD2 4.34Å; K578-Y580 HydrophobicContact CB-CE2 3.56Å; K578-L587 HydrophobicContact CB-CD2 3.72Å; K578-L587 HydrophobicContact CD-CD2 3.85Å; K578-L587 HydrophobicContact CG-CD2 4.16Å
579I96.5Very high95Very high20 Ų2056.6 Ų56.610%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-101.2124.4-179.9-46.6177.6000108.2Y572 K573 Y574 I588 Q591 P592 F595Y572-I579 HydrophobicContact CD2-CG2 3.68Å; Y572-I579 HydrophobicContact CE2-CG2 4.44Å; Y572-I579 HydrophobicContact CG-CG2 4.02Å; K573-I579 WeakPolarHBondContact O-CA 3.38Å; Y574-I579 HydrophobicContact CD2-CG1 4.15Å; I579-I588 HydrophobicContact CB-CB 4.46Å; I579-I588 HydrophobicContact CG2-CB 4.3Å; I579-I588 HydrophobicContact CG2-CD1 3.96Å; I579-I588 HydrophobicContact CG2-CG1 4.42Å; I579-I588 PolarHBondContact O-N 3.49Å; I579-Q591 HydrophobicContact CD1-CB 4.47Å; I579-Q591 HydrophobicContact CD1-CG 4.02Å; I579-P592 HydrophobicContact CG2-CG 4.15Å; I579-F595 HydrophobicContact CD1-CB 4.45Å; I579-F595 HydrophobicContact CD1-CD1 4.01Å; I579-F595 HydrophobicContact CD1-CD2 3.49Å; I579-F595 VanDerWaalsContact CD1-CD2 3.49Å; I579-F595 HydrophobicContact CD1-CE1 4.09Å; I579-F595 HydrophobicContact CD1-CE2 3.6Å; I579-F595 HydrophobicContact CD1-CG 3.7Å; I579-F595 HydrophobicContact CD1-CZ 3.89Å; I579-F595 HydrophobicContact CG1-CD2 4.01Å; I579-F595 HydrophobicContact CG1-CE2 3.72Å; I579-F595 HydrophobicContact CG1-CZ 4.13Å
580Y98.1Very high94.8Very high18 Ų1861.6 Ų61.67%0.07132%0.322CS..EExtended strand (participates in β ladder)trans-120.4144.6177.5-56.7-96.2000110.2A498 Y572 K573 V575 K578 E586 L587A498-Y580 HydrophobicContact CB-CD1 3.65Å; A498-Y580 HydrophobicContact CB-CD2 3.96Å; A498-Y580 HydrophobicContact CB-CE1 4.11Å; A498-Y580 HydrophobicContact CB-CE2 4.39Å; A498-Y580 HydrophobicContact CB-CG 3.56Å; Y572-Y580 CarbonylContact C-O 3.49Å; Y572-Y580 WeakPolarHBondContact CA-O 3.43Å; Y572-Y580 VanDerWaalsContact CB-O 3.26Å; Y572-Y580 WeakPolarHBondContact CB-O 3.36Å; K573-Y580 HydrophobicContact CG-CD2 4.48Å; K573-Y580 PolarHBondContact N-O 3.23Å; K573-Y580 PolarHBondContact O-N 2.83Å; V575-Y580 HydrophobicContact CB-CD2 4.22Å; V575-Y580 HydrophobicContact CB-CE2 4.07Å; K578-Y580 HydrophobicContact CB-CD2 4.34Å; K578-Y580 HydrophobicContact CB-CE2 3.56Å; Y580-E586 CarbonylContact C-O 3.38Å; Y580-E586 WeakPolarHBondContact CA-O 3.36Å; Y580-L587 HydrophobicContact CD1-CD2 3.7Å; Y580-L587 HydrophobicContact CD1-CG 3.94Å; Y580-L587 HydrophobicContact CE1-CD2 3.29Å; Y580-L587 HydrophobicContact CE1-CG 3.61Å; Y580-L587 HydrophobicContact CE2-CD2 4.25Å; Y580-L587 HydrophobicContact CG-CD2 4.33Å
581S98.2Very high94.6Very high27 Ų2760.1 Ų60.119%0.18932%0.317CS..EExtended strand (participates in β ladder)trans-72.8135.1173.9-178.20000110.4K583 N584 N585 E586S581-K583 PolarHBondContact O-N 3.14Å; S581-K583 WeakPolarHBondContact OG-CB 3.4Å; S581-K583 PolarHBondContact OG-N 3.36Å; S581-N584 WeakPolarHBondContact CB-OD1 3.33Å; S581-N585 VanDerWaalsContact O-CA 3.3Å; S581-N585 WeakPolarHBondContact O-CA 3.36Å; S581-N585 PolarHBondContact O-N 3.44Å; S581-E586 PolarHBondContact N-O 3.39Å
582N96.4Very high94.6Very high26 Ų2656.1 Ų56.114%0.13930%0.297CS..THydrogen-bonded Turntrans-69.9-16.6171.6-74.3-11.8000112.9Y523 T569 K570 D571 Y572 K573Y523-N582 PolarHBondContact OH-ND2 2.75Å; T569-N582 PolarHBondContact O-ND2 3.07Å; K570-N582 PolarHBondContact O-ND2 3.06Å; D571-N582 PolarHBondContact O-N 3.45Å; Y572-N582 VanDerWaalsContact C-OD1 3.31Å; Y572-N582 PolarHBondContact N-ND2 2.92Å; Y572-N582 PolarHBondContact O-ND2 3.27Å; K573-N582 WeakPolarHBondContact CE-OD1 3.2Å; K573-N582 PolarHBondContact N-OD1 2.68Å
583K94.5Very high94.6Very high192 Ų19261.5 Ų61.584%0.83534%0.342SS*.THydrogen-bonded Turntrans-68.9-37.7-179.5-173.9-179.9176.7-176.90112.2S581S581-K583 PolarHBondContact O-N 3.14Å; S581-K583 WeakPolarHBondContact OG-CB 3.4Å; S581-K583 PolarHBondContact OG-N 3.36Å
584N95.6Very high94.5Very high76 Ų7664.3 Ų64.341%0.40636%0.357SS..THydrogen-bonded Turntrans-147.56-169.265.30.4000114.9S581 E586S581-N584 WeakPolarHBondContact CB-OD1 3.33Å; N584-E586 HydrophobicContact CB-CG 4.4Å; N584-E586 PolarHBondContact ND2-OE2 2.88Å; N584-E586 PolarHBondContact O-N 3.37Å; N584-E586 WeakPolarHBondContact OD1-CB 3.3Å; N584-E586 PolarHBondContact OD1-N 3.2Å; N584-E586 VanDerWaalsContact OD1-N 3.12Å
585N97.3Very high94.6Very high35 Ų3563.5 Ų63.519%0.18735%0.354CS..SBendtrans61.515.6-177.5-72.2-43.1000115.6A498 D502 K573 S581A498-N585 HydrophobicContact CB-CB 4.05Å; A498-N585 PolarHBondContact O-OD1 2.55Å; D502-N585 PolarHBondContact OD2-ND2 3.3Å; D502-N585 PolarHBondContact OD2-OD1 2.78Å; D502-N585 VanDerWaalsContact OD2-OD1 3.05Å; K573-N585 WeakPolarHBondContact CE-OD1 3.29Å; K573-N585 PolarHBondContact NZ-OD1 2.81Å; S581-N585 VanDerWaalsContact O-CA 3.3Å; S581-N585 WeakPolarHBondContact O-CA 3.36Å; S581-N585 PolarHBondContact O-N 3.44Å
586E96.4Very high94.8Very high125 Ų12567.1 Ų67.158%0.58437%0.371SS*.PPolyproline II helixtrans-85.8154.3176.8-64.3-179.2161.900111.9Y580 S581 N584 I588Y580-E586 CarbonylContact C-O 3.38Å; Y580-E586 WeakPolarHBondContact CA-O 3.36Å; S581-E586 PolarHBondContact N-O 3.39Å; N584-E586 HydrophobicContact CB-CG 4.4Å; N584-E586 PolarHBondContact ND2-OE2 2.88Å; N584-E586 PolarHBondContact O-N 3.37Å; N584-E586 WeakPolarHBondContact OD1-CB 3.3Å; N584-E586 PolarHBondContact OD1-N 3.2Å; N584-E586 VanDerWaalsContact OD1-N 3.12Å; E586-I588 PolarHBondContact O-N 2.96Å
587L96.1Very high95.3Very high88 Ų8874 Ų7446%0.46140%0.4SS..BIsolated β-bridgetrans-65133.1175.5-77.7167.1000110.6K578 Y580K578-L587 HydrophobicContact CB-CD2 3.72Å; K578-L587 HydrophobicContact CD-CD2 3.85Å; K578-L587 HydrophobicContact CG-CD2 4.16Å; Y580-L587 HydrophobicContact CD1-CD2 3.7Å; Y580-L587 HydrophobicContact CD1-CG 3.94Å; Y580-L587 HydrophobicContact CE1-CD2 3.29Å; Y580-L587 HydrophobicContact CE1-CG 3.61Å; Y580-L587 HydrophobicContact CE2-CD2 4.25Å; Y580-L587 HydrophobicContact CG-CD2 4.33Å
588I94.5Very high95.9Very high56 Ų5673.1 Ų73.129%0.28739%0.388SS..PPolyproline II helixtrans-85.4127.4171.4-58.9-175.6000108.6I579 E586 T590 P592I579-I588 HydrophobicContact CB-CB 4.46Å; I579-I588 HydrophobicContact CG2-CB 4.3Å; I579-I588 HydrophobicContact CG2-CD1 3.96Å; I579-I588 HydrophobicContact CG2-CG1 4.42Å; I579-I588 PolarHBondContact O-N 3.49Å; E586-I588 PolarHBondContact O-N 2.96Å; I588-T590 WeakPolarHBondContact CG2-O 3.32Å; I588-P592 HydrophobicContact CD1-CG 4.41Å
589T90.6Very high96.2Very high142 Ų14271.7 Ų71.787%0.87138%0.382SS*.SBendtrans-84.1-32.7178.150.40000112.9
590T93.7Very high96.1Very high111 Ų11177.2 Ų77.268%0.68141%0.405SS*.SBendtrans-104.6114.7178-54.70000110.3I588I588-T590 WeakPolarHBondContact CG2-O 3.32Å
591Q94.9Very high96Very high103 Ų10378.3 Ų78.348%0.48141%0.411SS..  trans-53.5127.7179.7-179167.7-61.300111.8I579 F595 E596I579-Q591 HydrophobicContact CD1-CB 4.47Å; I579-Q591 HydrophobicContact CD1-CG 4.02Å; Q591-F595 HydrophobicContact CG-CB 3.74Å; Q591-F595 HydrophobicContact CG-CD1 3.71Å; Q591-F595 HydrophobicContact CG-CG 3.93Å; Q591-E596 PolarHBondContact NE2-OE1 3.24Å; Q591-E596 VanDerWaalsContact NE2-OE1 3.09Å
592P97.1Very high96Very high26 Ų2677 Ų7717%0.16940%0.402CS..  trans-57.2143.3174-2534.6000112.1Y572 I579 I588 D594 F595Y572-P592 HydrophobicContact CD1-CB 4Å; Y572-P592 HydrophobicContact CD1-CG 3.7Å; Y572-P592 HydrophobicContact CD2-CG 4.47Å; Y572-P592 HydrophobicContact CE1-CB 3.69Å; Y572-P592 HydrophobicContact CE1-CG 3.84Å; Y572-P592 HydrophobicContact CG-CG 4.03Å; I579-P592 HydrophobicContact CG2-CG 4.15Å; I588-P592 HydrophobicContact CD1-CG 4.41Å; P592-D594 PolarHBondContact O-N 2.95Å; P592-F595 HydrophobicContact CB-CB 4.31Å; P592-F595 VanDerWaalsContact O-CB 3.22Å; P592-F595 WeakPolarHBondContact O-CB 3.45Å; P592-F595 PolarHBondContact O-N 3.14Å
593A97.3Very high95.9Very high116 Ų11677.7 Ų77.796%0.95940%0.404SS*.THydrogen-bonded Turntrans-61.3-29-174.900000113.6
594D97.6Very high96Very high59 Ų5971.7 Ų71.732%0.31638%0.378SS..THydrogen-bonded Turntrans-93.6-0.3-179.970.8-15.1000113.7Y572 P592 E596 K597 N598Y572-D594 VanDerWaalsContact CE1-OD1 3.22Å; Y572-D594 WeakPolarHBondContact CE1-OD1 3.23Å; Y572-D594 PolarHBondContact OH-OD1 3.32Å; P592-D594 PolarHBondContact O-N 2.95Å; D594-E596 PolarHBondContact O-N 2.95Å; D594-K597 WeakPolarHBondContact O-CB 3.26Å; D594-K597 PolarHBondContact O-N 2.85Å; D594-N598 VanDerWaalsContact CG-ND2 3.26Å; D594-N598 PolarHBondContact O-N 2.98Å; D594-N598 PolarHBondContact OD2-ND2 2.84Å
595F97.5Very high96Very high8 Ų868.2 Ų68.24%0.03536%0.359CS..Hα-helixtrans-57.4-52.5-172.7172.5-102.1000113.3F567 Y572 Y574 I579 Q591 P592 K597 N598 K599F567-F595 HydrophobicContact CE1-CE2 4.24Å; F567-F595 AromaticContact CZ-CD2 3.92Å; F567-F595 HydrophobicContact CZ-CD2 3.92Å; F567-F595 AromaticContact CZ-CE2 3.84Å; F567-F595 HydrophobicContact CZ-CE2 3.84Å; Y572-F595 AromaticContact CE2-CD2 3.92Å; Y572-F595 HydrophobicContact CE2-CD2 3.92Å; Y572-F595 VanDerWaalsContact OH-CA 3.31Å; Y572-F595 WeakPolarHBondContact OH-CA 3.44Å; Y574-F595 AromaticContact CD2-CE2 3.54Å; Y574-F595 HydrophobicContact CD2-CE2 3.54Å; Y574-F595 AromaticContact CD2-CZ 3.71Å; Y574-F595 HydrophobicContact CD2-CZ 3.71Å; Y574-F595 HydrophobicContact CE2-CE2 4.03Å; Y574-F595 AromaticContact CE2-CZ 3.68Å; Y574-F595 HydrophobicContact CE2-CZ 3.68Å; Y574-F595 AromaticContact CG-CE2 3.85Å; Y574-F595 HydrophobicContact CG-CE2 3.85Å; Y574-F595 HydrophobicContact CG-CZ 4.27Å; I579-F595 HydrophobicContact CD1-CB 4.45Å; I579-F595 HydrophobicContact CD1-CD1 4.01Å; I579-F595 HydrophobicContact CD1-CD2 3.49Å; I579-F595 VanDerWaalsContact CD1-CD2 3.49Å; I579-F595 HydrophobicContact CD1-CE1 4.09Å; I579-F595 HydrophobicContact CD1-CE2 3.6Å; I579-F595 HydrophobicContact CD1-CG 3.7Å; I579-F595 HydrophobicContact CD1-CZ 3.89Å; I579-F595 HydrophobicContact CG1-CD2 4.01Å; I579-F595 HydrophobicContact CG1-CE2 3.72Å; I579-F595 HydrophobicContact CG1-CZ 4.13Å; Q591-F595 HydrophobicContact CG-CB 3.74Å; Q591-F595 HydrophobicContact CG-CD1 3.71Å; Q591-F595 HydrophobicContact CG-CG 3.93Å; P592-F595 HydrophobicContact CB-CB 4.31Å; P592-F595 VanDerWaalsContact O-CB 3.22Å; P592-F595 WeakPolarHBondContact O-CB 3.45Å; P592-F595 PolarHBondContact O-N 3.14Å; F595-K597 PolarHBondContact O-N 3.29Å; F595-N598 PolarHBondContact O-N 3.37Å; F595-K599 HydrophobicContact CE1-CD 4.14Å; F595-K599 HydrophobicContact CZ-CD 3.97Å; F595-K599 VanDerWaalsContact O-CB 3.3Å; F595-K599 WeakPolarHBondContact O-CB 3.34Å; F595-K599 PolarHBondContact O-N 3.46Å
596E96.9Very high96.1Very high79 Ų7966.5 Ų66.537%0.36935%0.35SS..Hα-helixtrans-63.3-34-179.2-68.3-57.1145.700112.1Q591 D594 K600Q591-E596 PolarHBondContact NE2-OE1 3.24Å; Q591-E596 VanDerWaalsContact NE2-OE1 3.09Å; D594-E596 PolarHBondContact O-N 2.95Å; E596-K600 WeakPolarHBondContact O-CB 3.21Å; E596-K600 VanDerWaalsContact O-CG 3.26Å; E596-K600 WeakPolarHBondContact O-CG 3.13Å; E596-K600 PolarHBondContact O-N 3.22Å; E596-K600 VanDerWaalsContact O-N 3.07Å
597K97.2Very high96Very high159 Ų15964.7 Ų64.769%0.69134%0.342SS*.Hα-helixtrans-65.6-51.6175.9179.6-168.2172.4-169.40110D594 F595 K599 K600 Q601D594-K597 WeakPolarHBondContact O-CB 3.26Å; D594-K597 PolarHBondContact O-N 2.85Å; F595-K597 PolarHBondContact O-N 3.29Å; K597-K599 PolarHBondContact O-N 3.12Å; K597-K600 PolarHBondContact O-N 3.41Å; K597-Q601 VanDerWaalsContact O-CB 3.22Å; K597-Q601 WeakPolarHBondContact O-CB 3.31Å; K597-Q601 PolarHBondContact O-N 3.39Å
598N97.8Very high96.1Very high13 Ų1361.3 Ų61.37%0.0732%0.324CS..Hα-helixtrans-65.7-39.5-178-67.9-16.9000111.5V559 F567 Y572 D594 F595 Q601 V602V559-N598 HydrophobicContact CG1-CB 4.16Å; V559-N598 HydrophobicContact CG2-CB 4.35Å; F567-N598 HydrophobicContact CE2-CB 3.75Å; F567-N598 HydrophobicContact CZ-CB 4.09Å; Y572-N598 PolarHBondContact OH-ND2 2.97Å; D594-N598 VanDerWaalsContact CG-ND2 3.26Å; D594-N598 PolarHBondContact O-N 2.98Å; D594-N598 PolarHBondContact OD2-ND2 2.84Å; F595-N598 PolarHBondContact O-N 3.37Å; N598-Q601 WeakPolarHBondContact O-CB 3.48Å; N598-Q601 PolarHBondContact O-N 3.19Å; N598-V602 VanDerWaalsContact O-CG2 3.23Å; N598-V602 WeakPolarHBondContact O-CG2 3.22Å; N598-V602 PolarHBondContact O-N 2.9Å
599K95.7Very high96.2Very high27 Ų2758.6 Ų58.612%0.11731%0.31CS..Hα-helixtrans-60.9-52.2175.4-175.7-177.5172.6-165.80112F567 F595 K597 Q601 V602 E603F567-K599 HydrophobicContact CE1-CB 3.87Å; F567-K599 HydrophobicContact CE1-CG 4.24Å; F567-K599 HydrophobicContact CZ-CB 4.13Å; F595-K599 HydrophobicContact CE1-CD 4.14Å; F595-K599 HydrophobicContact CZ-CD 3.97Å; F595-K599 VanDerWaalsContact O-CB 3.3Å; F595-K599 WeakPolarHBondContact O-CB 3.34Å; F595-K599 PolarHBondContact O-N 3.46Å; K597-K599 PolarHBondContact O-N 3.12Å; K599-Q601 PolarHBondContact O-N 3.14Å; K599-V602 PolarHBondContact O-N 3.32Å; K599-E603 VanDerWaalsContact CE-OE1 3.22Å; K599-E603 WeakPolarHBondContact CE-OE1 3.12Å; K599-E603 WeakPolarHBondContact O-CG 3.23Å; K599-E603 PolarHBondContact O-N 2.97Å
600K95.1Very high96.5Very high135 Ų13552.4 Ų52.459%0.58727%0.272SS*.Hα-helixtrans-59.9-36.6176.5-74175.6-177.8-1800112.1E596 K597 K604E596-K600 WeakPolarHBondContact O-CB 3.21Å; E596-K600 VanDerWaalsContact O-CG 3.26Å; E596-K600 WeakPolarHBondContact O-CG 3.13Å; E596-K600 PolarHBondContact O-N 3.22Å; E596-K600 VanDerWaalsContact O-N 3.07Å; K597-K600 PolarHBondContact O-N 3.41Å; K600-K604 VanDerWaalsContact O-CB 3.25Å; K600-K604 WeakPolarHBondContact O-CB 3.16Å; K600-K604 PolarHBondContact O-N 3.33Å
601Q95.8Very high96.6Very high41 Ų4149.6 Ų49.619%0.19225%0.252CS..Hα-helixtrans-63.5-48.9177.2179.151.961.600111.4Y228 R232 K597 N598 K599 K604 D605Y228-Q601 PolarHBondContact OH-NE2 3.34Å; R232-Q601 VanDerWaalsContact NE-NE2 3.11Å; R232-Q601 VanDerWaalsContact NH1-CD 3.28Å; K597-Q601 VanDerWaalsContact O-CB 3.22Å; K597-Q601 WeakPolarHBondContact O-CB 3.31Å; K597-Q601 PolarHBondContact O-N 3.39Å; N598-Q601 WeakPolarHBondContact O-CB 3.48Å; N598-Q601 PolarHBondContact O-N 3.19Å; K599-Q601 PolarHBondContact O-N 3.14Å; Q601-K604 PolarHBondContact O-N 3.37Å; Q601-D605 PolarHBondContact NE2-OD1 3.35Å; Q601-D605 PolarHBondContact NE2-OD2 2.99Å; Q601-D605 WeakPolarHBondContact O-CB 3.37Å; Q601-D605 PolarHBondContact O-N 3.5Å
602V97.4Very high96.8Very high1 Ų144.8 Ų44.81%0.00623%0.23CC..Hα-helixtrans-58.8-48.8176.5163.40000111.3V559 P561 F567 N598 K599 K604 D605 L606V559-V602 HydrophobicContact CG1-CG2 3.81Å; P561-V602 HydrophobicContact CB-CB 4.28Å; P561-V602 HydrophobicContact CB-CG1 3.71Å; P561-V602 HydrophobicContact CB-CG2 4.03Å; F567-V602 HydrophobicContact CB-CG1 4.32Å; F567-V602 HydrophobicContact CB-CG2 3.6Å; F567-V602 HydrophobicContact CD1-CB 4.32Å; F567-V602 HydrophobicContact CD1-CG1 4.36Å; F567-V602 HydrophobicContact CD1-CG2 3.93Å; F567-V602 HydrophobicContact CD2-CG2 4.35Å; F567-V602 HydrophobicContact CG-CG2 3.73Å; N598-V602 VanDerWaalsContact O-CG2 3.23Å; N598-V602 WeakPolarHBondContact O-CG2 3.22Å; N598-V602 PolarHBondContact O-N 2.9Å; K599-V602 PolarHBondContact O-N 3.32Å; V602-K604 VanDerWaalsContact C-N 3.28Å; V602-K604 PolarHBondContact O-N 3.4Å; V602-D605 PolarHBondContact O-N 2.99Å; V602-L606 HydrophobicContact CG1-CD1 4.29Å; V602-L606 WeakPolarHBondContact O-CG 3.34Å; V602-L606 PolarHBondContact O-N 3.43Å; V602-L606 VanDerWaalsContact O-N 3.09Å
603E95.1Very high96.8Very high40 Ų4043.7 Ų43.719%0.18722%0.223CC..Hα-helixtrans-58.9-42.6178.4-69.9172.9165.700111.1R183 F185 K599 E607R183-E603 IonicContact CZ-OE1 3.92Å; R183-E603 IonicContact NE-OE1 2.78Å; R183-E603 PolarHBondContact NE-OE1 3.33Å; R183-E603 IonicContact NH1-OE1 3.21Å; R183-E603 IonicContact NH2-OE1 2.78Å; F185-E603 HydrophobicContact CZ-CG 4.24Å; K599-E603 VanDerWaalsContact CE-OE1 3.22Å; K599-E603 WeakPolarHBondContact CE-OE1 3.12Å; K599-E603 WeakPolarHBondContact O-CG 3.23Å; K599-E603 PolarHBondContact O-N 2.97Å; E603-E607 WeakPolarHBondContact O-CB 3.42Å; E603-E607 PolarHBondContact O-N 2.96Å
604K95.7Very high96.8Very high66 Ų6638.4 Ų38.429%0.28718%0.178SC..Hα-helixtrans-73.3-35.5-178.8-164.953.9155.6177.60113.4Y228 K600 Q601 V602 E607 M608Y228-K604 HydrophobicContact CD2-CG 4.32Å; Y228-K604 HydrophobicContact CE1-CG 4.33Å; Y228-K604 HydrophobicContact CE2-CB 4.36Å; Y228-K604 HydrophobicContact CE2-CG 3.59Å; Y228-K604 WeakPolarHBondContact OH-CB 3.3Å; Y228-K604 WeakPolarHBondContact OH-CG 3.45Å; K600-K604 VanDerWaalsContact O-CB 3.25Å; K600-K604 WeakPolarHBondContact O-CB 3.16Å; K600-K604 PolarHBondContact O-N 3.33Å; Q601-K604 PolarHBondContact O-N 3.37Å; V602-K604 VanDerWaalsContact C-N 3.28Å; V602-K604 PolarHBondContact O-N 3.4Å; K604-E607 VanDerWaalsContact CD-OE2 3.25Å; K604-E607 WeakPolarHBondContact CD-OE2 3.41Å; K604-E607 IonicContact NZ-OE1 3.58Å; K604-E607 PolarHBondContact NZ-OE1 2.93Å; K604-E607 IonicContact NZ-OE2 3.48Å; K604-E607 PolarHBondContact NZ-OE2 3.32Å; K604-M608 HydrophobicContact CD-CE 4.14Å; K604-M608 HydrophobicContact CD-CG 4.11Å; K604-M608 HydrophobicContact CG-CG 4.28Å; K604-M608 VanDerWaalsContact O-CB 3.26Å; K604-M608 WeakPolarHBondContact O-CB 3.32Å; K604-M608 WeakPolarHBondContact O-CG 3.27Å; K604-M608 PolarHBondContact O-N 2.76Å
605D97.2Very high96.8Very high2 Ų235.7 Ų35.71%0.01117%0.165CC..Hα-helixtrans-61.1-47.5173.5-82.5-24.7000110.8Y228 R232 Y312 F547 Q601 V602 S609Y228-D605 WeakPolarHBondContact CE1-OD1 3.47Å; Y228-D605 PolarHBondContact OH-OD1 3.34Å; R232-D605 IonicContact CZ-OD1 3.84Å; R232-D605 IonicContact CZ-OD2 3.35Å; R232-D605 IonicContact NE-OD1 2.93Å; R232-D605 PolarHBondContact NE-OD1 2.89Å; R232-D605 IonicContact NE-OD2 3.92Å; R232-D605 IonicContact NH2-OD1 3.44Å; R232-D605 PolarHBondContact NH2-OD1 2.84Å; R232-D605 IonicContact NH2-OD2 3.48Å; R232-D605 PolarHBondContact NH2-OD2 3.49Å; Y312-D605 HydrophobicContact CE2-CB 3.99Å; F547-D605 HydrophobicContact CD1-CB 4.17Å; F547-D605 WeakPolarHBondContact CE1-O 3.43Å; Q601-D605 PolarHBondContact NE2-OD1 3.35Å; Q601-D605 PolarHBondContact NE2-OD2 2.99Å; Q601-D605 WeakPolarHBondContact O-CB 3.37Å; Q601-D605 PolarHBondContact O-N 3.5Å; V602-D605 PolarHBondContact O-N 2.99Å; D605-S609 WeakPolarHBondContact O-CB 3.42Å; D605-S609 PolarHBondContact O-N 3.13Å
606L97.5Very high96.8Very high0 Ų035.8 Ų35.80%017%0.165CC..Hα-helixtrans-65.1-47.5177.8-65.2176.4000111.7F185 Y312 V602 M608 S609 D610F185-L606 HydrophobicContact CD1-CD1 4.29Å; F185-L606 HydrophobicContact CE1-CD1 4.27Å; F185-L606 HydrophobicContact CG-CD1 4.44Å; F185-L606 HydrophobicContact CZ-CD1 4.41Å; Y312-L606 HydrophobicContact CD1-CD2 4.19Å; Y312-L606 HydrophobicContact CD2-CD2 3.84Å; Y312-L606 HydrophobicContact CE2-CD2 4.41Å; Y312-L606 HydrophobicContact CG-CD2 3.72Å; V602-L606 HydrophobicContact CG1-CD1 4.29Å; V602-L606 WeakPolarHBondContact O-CG 3.34Å; V602-L606 PolarHBondContact O-N 3.43Å; V602-L606 VanDerWaalsContact O-N 3.09Å; L606-M608 PolarHBondContact O-N 2.84Å; L606-S609 PolarHBondContact O-N 2.98Å; L606-D610 WeakPolarHBondContact O-CB 3.47Å; L606-D610 VanDerWaalsContact O-CG 3.27Å; L606-D610 PolarHBondContact O-N 2.92Å
607E95.5Very high96.9Very high86 Ų8632.1 Ų32.140%0.40215%0.148SC..Hα-helixtrans-57.3-46.9177.9-174.3-153.813700111.7E603 K604 D610 N611E603-E607 WeakPolarHBondContact O-CB 3.42Å; E603-E607 PolarHBondContact O-N 2.96Å; K604-E607 VanDerWaalsContact CD-OE2 3.25Å; K604-E607 WeakPolarHBondContact CD-OE2 3.41Å; K604-E607 IonicContact NZ-OE1 3.58Å; K604-E607 PolarHBondContact NZ-OE1 2.93Å; K604-E607 IonicContact NZ-OE2 3.48Å; K604-E607 PolarHBondContact NZ-OE2 3.32Å; E607-D610 PolarHBondContact O-N 3.28Å; E607-N611 VanDerWaalsContact O-CG 3.23Å; E607-N611 PolarHBondContact O-N 2.61Å; E607-N611 PolarHBondContact O-ND2 2.94Å
608M96.9Very high97Very high17 Ų1724.8 Ų24.88%0.08412%0.116CC..Hα-helixtrans-69-38.1-178.7-72.5-68.9-173.700111.9V225 Y228 F547 K604 L606 N611 V612V225-M608 HydrophobicContact CB-SD 4.47Å; V225-M608 HydrophobicContact CG1-CB 4.48Å; V225-M608 HydrophobicContact CG2-SD 3.74Å; Y228-M608 HydrophobicContact CD1-CB 4.16Å; Y228-M608 HydrophobicContact CD1-CG 3.83Å; Y228-M608 HydrophobicContact CE1-CB 4.35Å; Y228-M608 HydrophobicContact CE1-CG 4.11Å; Y228-M608 HydrophobicContact CG-CG 4.26Å; F547-M608 HydrophobicContact CE1-CB 3.62Å; F547-M608 HydrophobicContact CZ-CB 3.58Å; K604-M608 HydrophobicContact CD-CE 4.14Å; K604-M608 HydrophobicContact CD-CG 4.11Å; K604-M608 HydrophobicContact CG-CG 4.28Å; K604-M608 VanDerWaalsContact O-CB 3.26Å; K604-M608 WeakPolarHBondContact O-CB 3.32Å; K604-M608 WeakPolarHBondContact O-CG 3.27Å; K604-M608 PolarHBondContact O-N 2.76Å; L606-M608 PolarHBondContact O-N 2.84Å; M608-N611 PolarHBondContact O-N 3.35Å; M608-V612 WeakPolarHBondContact O-CG2 3.18Å; M608-V612 PolarHBondContact O-N 2.93Å; M608-V612 VanDerWaalsContact O-N 3.1Å
609S98Very high97Very high0 Ų026.8 Ų26.80%012%0.123CC..Hα-helixtrans-64-40.9173.3-174.30000111.7Y312 F547 D605 L606 N611 V612 L613Y312-S609 PolarHBondContact N-OG 3.27Å; Y312-S609 PolarHBondContact O-OG 2.86Å; F547-S609 VanDerWaalsContact CZ-N 3.35Å; D605-S609 WeakPolarHBondContact O-CB 3.42Å; D605-S609 PolarHBondContact O-N 3.13Å; L606-S609 PolarHBondContact O-N 2.98Å; S609-N611 VanDerWaalsContact C-N 3.34Å; S609-N611 PolarHBondContact O-N 3.25Å; S609-V612 WeakPolarHBondContact O-CB 3.15Å; S609-V612 PolarHBondContact O-N 3.49Å; S609-L613 PolarHBondContact O-N 3.07Å; S609-L613 VanDerWaalsContact O-N 3.1Å
610D96.6Very high97.1Very high12 Ų1227.9 Ų27.96%0.06413%0.128CC..Hα-helixtrans-63.2-40.6175.9-74-20.5000111.6R563 L606 E607 V612 L613 N614R563-D610 IonicContact CZ-OD1 3.51Å; R563-D610 IonicContact CZ-OD2 2.87Å; R563-D610 IonicContact NH2-OD1 3.59Å; R563-D610 PolarHBondContact NH2-OD1 3.07Å; R563-D610 IonicContact NH2-OD2 2.9Å; R563-D610 PolarHBondContact NH2-OD2 3.17Å; L606-D610 WeakPolarHBondContact O-CB 3.47Å; L606-D610 VanDerWaalsContact O-CG 3.27Å; L606-D610 PolarHBondContact O-N 2.92Å; E607-D610 PolarHBondContact O-N 3.28Å; D610-V612 VanDerWaalsContact C-N 3.34Å; D610-V612 PolarHBondContact O-N 2.82Å; D610-L613 PolarHBondContact O-N 2.92Å; D610-N614 WeakPolarHBondContact O-CB 3.39Å; D610-N614 PolarHBondContact O-N 3.12Å
611N96.8Very high97.2Very high51 Ų5123 Ų2327%0.27311%0.106SC..Hα-helixtrans-61.2-41.2174.5-70.2-26.7000111.9E607 M608 S609 L613 G615 L617E607-N611 VanDerWaalsContact O-CG 3.23Å; E607-N611 PolarHBondContact O-N 2.61Å; E607-N611 PolarHBondContact O-ND2 2.94Å; M608-N611 PolarHBondContact O-N 3.35Å; S609-N611 VanDerWaalsContact C-N 3.34Å; S609-N611 PolarHBondContact O-N 3.25Å; N611-L613 PolarHBondContact O-N 3.37Å; N611-G615 WeakPolarHBondContact O-CA 3.07Å; N611-G615 PolarHBondContact O-N 3.25Å; N611-L617 HydrophobicContact CB-CD1 4.38Å; N611-L617 WeakPolarHBondContact O-CD1 3.37Å; N611-L617 WeakPolarHBondContact O-CG 3.4Å
612V98.4Very high97.2Very high3 Ų329.3 Ų29.32%0.01813%0.133CC..Hα-helixtrans-58.9-47.7175.2173.90000111.1V225 L311 L545 M608 S609 D610 D616 L617 F618V225-V612 HydrophobicContact CB-CG2 4.28Å; V225-V612 HydrophobicContact CG1-CG2 3.67Å; V225-V612 HydrophobicContact CG2-CG2 4.06Å; L311-V612 HydrophobicContact CD1-CG1 4.01Å; L311-V612 HydrophobicContact CD2-CB 4.41Å; L311-V612 HydrophobicContact CD2-CG1 4.22Å; L545-V612 HydrophobicContact CD1-CG2 3.97Å; L545-V612 HydrophobicContact CD2-CG2 4.14Å; M608-V612 WeakPolarHBondContact O-CG2 3.18Å; M608-V612 PolarHBondContact O-N 2.93Å; M608-V612 VanDerWaalsContact O-N 3.1Å; S609-V612 WeakPolarHBondContact O-CB 3.15Å; S609-V612 PolarHBondContact O-N 3.49Å; D610-V612 VanDerWaalsContact C-N 3.34Å; D610-V612 PolarHBondContact O-N 2.82Å; V612-D616 WeakPolarHBondContact O-CA 3.32Å; V612-D616 PolarHBondContact O-N 3.26Å; V612-L617 HydrophobicContact CG2-CD1 4.29Å; V612-L617 PolarHBondContact O-N 3.47Å; V612-L617 VanDerWaalsContact O-N 3.08Å; V612-F618 HydrophobicContact CG1-CD2 3.96Å; V612-F618 HydrophobicContact CG1-CE2 3.8Å; V612-F618 HydrophobicContact CG1-CZ 4.49Å
613L97.6Very high97.2Very high2 Ų229.7 Ų29.71%0.0114%0.135CC..Hα-helixtrans-72.6-52.6-176.5-79.9179.9000113F305 Y312 L314 A319 N326 Y328 S609 D610 N611 G615 D616F305-L613 HydrophobicContact CE1-CD1 3.94Å; F305-L613 HydrophobicContact CE1-CD2 4.36Å; F305-L613 HydrophobicContact CE2-CD2 3.92Å; F305-L613 HydrophobicContact CZ-CD1 3.91Å; F305-L613 HydrophobicContact CZ-CD2 3.49Å; F305-L613 VanDerWaalsContact CZ-CD2 3.49Å; F305-L613 HydrophobicContact CZ-CG 4.08Å; Y312-L613 VanDerWaalsContact O-CD1 3.31Å; Y312-L613 WeakPolarHBondContact O-CD1 3.36Å; L314-L613 HydrophobicContact CD2-CB 3.94Å; L314-L613 HydrophobicContact CD2-CD1 3.88Å; L314-L613 HydrophobicContact CG-CD1 4.1Å; A319-L613 HydrophobicContact CB-CD1 4.19Å; N326-L613 PolarHBondContact ND2-O 2.99Å; Y328-L613 HydrophobicContact CE1-CD2 3.9Å; S609-L613 PolarHBondContact O-N 3.07Å; S609-L613 VanDerWaalsContact O-N 3.1Å; D610-L613 PolarHBondContact O-N 2.92Å; N611-L613 PolarHBondContact O-N 3.37Å; L613-G615 VanDerWaalsContact C-N 3.31Å; L613-G615 PolarHBondContact O-N 3.05Å; L613-D616 PolarHBondContact O-N 2.95Å
614N96.5Very high97.3Very high5 Ų532.8 Ų32.83%0.02716%0.158CC..Hα-helixtrans-68.9-34.7-177.9-70.1-29.7000111.9N210 Q213 K214 K323 D610N210-N614 PolarHBondContact OD1-ND2 2.76Å; Q213-N614 HydrophobicContact CB-CB 3.94Å; Q213-N614 PolarHBondContact OE1-ND2 3.2Å; Q213-N614 VanDerWaalsContact OE1-ND2 3.12Å; K214-N614 WeakPolarHBondContact CA-O 3.26Å; K214-N614 WeakPolarHBondContact CB-O 3.3Å; K214-N614 PolarHBondContact N-O 2.79Å; K323-N614 WeakPolarHBondContact CE-OD1 3.44Å; D610-N614 WeakPolarHBondContact O-CB 3.39Å; D610-N614 PolarHBondContact O-N 3.12Å
615G97.8Very high97.4Very high3 Ų331.9 Ų31.93%0.03116%0.157CC..Hα-helixtrans-81.6-11.6177.200000114.4A217 N611 L613 L617 R619A217-G615 WeakPolarHBondContact CB-O 3.35Å; N611-G615 WeakPolarHBondContact O-CA 3.07Å; N611-G615 PolarHBondContact O-N 3.25Å; L613-G615 VanDerWaalsContact C-N 3.31Å; L613-G615 PolarHBondContact O-N 3.05Å; G615-L617 PolarHBondContact O-N 2.85Å; G615-R619 PolarHBondContact O-NH1 3.09Å; G615-R619 PolarHBondContact O-NH2 3.32Å
616D98.1Very high97.4Very high9 Ų932.5 Ų32.55%0.04816%0.159CC..THydrogen-bonded Turntrans47.248.3-170.117729.6000111.3K214 N326 T327 V612 L613 F618 R619K214-D616 HydrophobicContact CD-CB 4.25Å; K214-D616 WeakPolarHBondContact CE-OD2 3.35Å; K214-D616 HydrophobicContact CG-CB 4.12Å; K214-D616 IonicContact NZ-OD2 2.96Å; N326-D616 HydrophobicContact CB-CB 4.26Å; N326-D616 WeakPolarHBondContact CB-OD1 3.5Å; N326-D616 WeakPolarHBondContact OD1-CB 3.41Å; T327-D616 WeakPolarHBondContact CB-OD1 3.45Å; T327-D616 PolarHBondContact N-OD1 3.36Å; T327-D616 PolarHBondContact OG1-OD1 3.38Å; V612-D616 WeakPolarHBondContact O-CA 3.32Å; V612-D616 PolarHBondContact O-N 3.26Å; L613-D616 PolarHBondContact O-N 2.95Å; D616-F618 PolarHBondContact O-N 3.31Å; D616-R619 WeakPolarHBondContact O-CB 3.43Å; D616-R619 WeakPolarHBondContact O-CG 3.32Å; D616-R619 PolarHBondContact O-N 3.39Å; D616-R619 IonicContact OD2-NH1 3.45Å
617L98.6Very high97.5Very high2 Ų240.3 Ų40.31%0.0119%0.193CC..G310 helixtrans-67.1-24.3-165.5-62.4-176.4000113.2A217 D221 L222 V225 N611 V612 G615 R619 F620A217-L617 HydrophobicContact CB-CD2 3.74Å; D221-L617 HydrophobicContact CB-CD1 4.22Å; D221-L617 HydrophobicContact CB-CD2 3.91Å; L222-L617 HydrophobicContact CB-CB 4.27Å; L222-L617 HydrophobicContact CD1-CB 4.17Å; V225-L617 HydrophobicContact CG2-CD1 3.9Å; N611-L617 HydrophobicContact CB-CD1 4.38Å; N611-L617 WeakPolarHBondContact O-CD1 3.37Å; N611-L617 WeakPolarHBondContact O-CG 3.4Å; V612-L617 HydrophobicContact CG2-CD1 4.29Å; V612-L617 PolarHBondContact O-N 3.47Å; V612-L617 VanDerWaalsContact O-N 3.08Å; G615-L617 PolarHBondContact O-N 2.85Å; L617-R619 PolarHBondContact O-N 2.87Å; L617-R619 VanDerWaalsContact O-N 3.13Å; L617-F620 HydrophobicContact CD2-CD2 4.33Å; L617-F620 HydrophobicContact CD2-CE2 4.44Å; L617-F620 WeakPolarHBondContact O-CB 3.23Å; L617-F620 PolarHBondContact O-N 2.64Å
618F98.4Very high97.6Very high5 Ų540.9 Ų40.92%0.02220%0.195CC..G310 helixtrans-60.6-21.2173.9-77-58.9000113.2L311 T327 Q329 L545 V612 D616 F620 Y621L311-F618 HydrophobicContact CD1-CE2 3.96Å; T327-F618 HydrophobicContact CG2-CB 3.85Å; T327-F618 WeakPolarHBondContact O-CB 3.43Å; T327-F618 WeakPolarHBondContact O-CD2 3.23Å; Q329-F618 HydrophobicContact CB-CE1 4.18Å; Q329-F618 HydrophobicContact CB-CZ 4.37Å; Q329-F618 HydrophobicContact CG-CD1 3.69Å; Q329-F618 HydrophobicContact CG-CE1 3.74Å; Q329-F618 HydrophobicContact CG-CG 4.27Å; Q329-F618 HydrophobicContact CG-CZ 4.35Å; L545-F618 HydrophobicContact CB-CE1 3.74Å; L545-F618 HydrophobicContact CB-CZ 3.93Å; L545-F618 HydrophobicContact CD1-CE1 4.18Å; L545-F618 HydrophobicContact CD1-CZ 4.35Å; L545-F618 HydrophobicContact CD2-CZ 4.36Å; L545-F618 HydrophobicContact CG-CE1 4.5Å; L545-F618 HydrophobicContact CG-CZ 4.46Å; V612-F618 HydrophobicContact CG1-CD2 3.96Å; V612-F618 HydrophobicContact CG1-CE2 3.8Å; V612-F618 HydrophobicContact CG1-CZ 4.49Å; D616-F618 PolarHBondContact O-N 3.31Å; F618-F620 PolarHBondContact O-N 3.27Å; F618-Y621 HydrophobicContact CD1-CD1 4.1Å; F618-Y621 HydrophobicContact CE1-CD1 4.27Å; F618-Y621 PolarHBondContact O-N 3.48Å
619R97.7Very high97.6Very high56 Ų5641.2 Ų41.221%0.21120%0.197CC..G310 helixtrans-62.8-23.9173.285.6-175.4171.6-121.8-3.8112.5K214 A217 G615 D616 L617 K628K214-R619 VanDerWaalsContact O-CZ 3.3Å; K214-R619 PolarHBondContact O-NH1 2.85Å; K214-R619 VanDerWaalsContact O-NH1 3.14Å; K214-R619 PolarHBondContact O-NH2 2.9Å; A217-R619 PolarHBondContact O-NH2 2.85Å; G615-R619 PolarHBondContact O-NH1 3.09Å; G615-R619 PolarHBondContact O-NH2 3.32Å; D616-R619 WeakPolarHBondContact O-CB 3.43Å; D616-R619 WeakPolarHBondContact O-CG 3.32Å; D616-R619 PolarHBondContact O-N 3.39Å; D616-R619 IonicContact OD2-NH1 3.45Å; L617-R619 PolarHBondContact O-N 2.87Å; L617-R619 VanDerWaalsContact O-N 3.13Å; R619-K628 PolarHBondContact O-NZ 3.48Å
620F98.1Very high97.6Very high49 Ų4944.9 Ų44.922%0.21522%0.217CC..THydrogen-bonded Turntrans-89.2-18.6175.9-61.5-59.1000112.4A217 E219 L222 L617 F618 K622A217-F620 HydrophobicContact CB-CE2 4.31Å; A217-F620 WeakPolarHBondContact O-CE2 3.46Å; A217-F620 WeakPolarHBondContact O-CZ 3.45Å; E219-F620 HydrophobicContact CG-CB 4.1Å; E219-F620 HydrophobicContact CG-CD1 3.89Å; E219-F620 HydrophobicContact CG-CG 4.13Å; L222-F620 HydrophobicContact CB-CB 4.44Å; L222-F620 HydrophobicContact CD2-CB 3.8Å; L617-F620 HydrophobicContact CD2-CD2 4.33Å; L617-F620 HydrophobicContact CD2-CE2 4.44Å; L617-F620 WeakPolarHBondContact O-CB 3.23Å; L617-F620 PolarHBondContact O-N 2.64Å; F618-F620 PolarHBondContact O-N 3.27Å; F620-K622 PolarHBondContact O-N 3.33Å; F620-K622 VanDerWaalsContact O-N 3.13Å
621Y97.9Very high97.7Very high34 Ų3445.9 Ų45.913%0.13322%0.224CC..  trans-77.3108.8-171.3-162.7-176.4000112L222 L226 Q329 N543 F618 N623L222-Y621 HydrophobicContact CD1-CG 4.44Å; L222-Y621 VanDerWaalsContact CD2-CA 3.43Å; L222-Y621 HydrophobicContact CD2-CD2 4.27Å; L222-Y621 HydrophobicContact CD2-CG 4.05Å; L226-Y621 HydrophobicContact CD1-CD2 4.13Å; L226-Y621 HydrophobicContact CD1-CE1 4.35Å; L226-Y621 HydrophobicContact CD1-CE2 3.86Å; L226-Y621 HydrophobicContact CD1-CG 4.5Å; L226-Y621 HydrophobicContact CD2-CD1 4.14Å; L226-Y621 HydrophobicContact CD2-CE1 3.55Å; L226-Y621 HydrophobicContact CD2-CE2 4.44Å; Q329-Y621 VanDerWaalsContact NE2-CD1 3.28Å; N543-Y621 WeakPolarHBondContact O-CE1 3.46Å; N543-Y621 PolarHBondContact O-OH 3.11Å; F618-Y621 HydrophobicContact CD1-CD1 4.1Å; F618-Y621 HydrophobicContact CE1-CD1 4.27Å; F618-Y621 PolarHBondContact O-N 3.48Å; Y621-N623 HydrophobicContact CD1-CB 4.18Å; Y621-N623 HydrophobicContact CD2-CB 4.13Å; Y621-N623 HydrophobicContact CE1-CB 4.11Å; Y621-N623 HydrophobicContact CE2-CB 4.07Å; Y621-N623 HydrophobicContact CG-CB 4.19Å; Y621-N623 PolarHBondContact O-N 3.01Å; Y621-N623 VanDerWaalsContact O-N 3.13Å
622K96.5Very high97.7Very high172 Ų17248.3 Ų48.375%0.74825%0.245SC*.  trans-82.765167.4-62.6173.3-173.3160.90110.2F620 P624F620-K622 PolarHBondContact O-N 3.33Å; F620-K622 VanDerWaalsContact O-N 3.13Å; K622-P624 WeakPolarHBondContact O-CD 3.4Å
623N97.1Very high97.6Very high10 Ų1055.8 Ų55.85%0.05328%0.277CS..  trans-66.4118.7179.9-176.4-15.6000110Q329 N543 Y621 D625 F626Q329-N623 PolarHBondContact OE1-ND2 2.99Å; N543-N623 PolarHBondContact O-ND2 3.32Å; Y621-N623 HydrophobicContact CD1-CB 4.18Å; Y621-N623 HydrophobicContact CD2-CB 4.13Å; Y621-N623 HydrophobicContact CE1-CB 4.11Å; Y621-N623 HydrophobicContact CE2-CB 4.07Å; Y621-N623 HydrophobicContact CG-CB 4.19Å; Y621-N623 PolarHBondContact O-N 3.01Å; Y621-N623 VanDerWaalsContact O-N 3.13Å; N623-D625 PolarHBondContact O-N 2.97Å; N623-D625 WeakPolarHBondContact OD1-CB 3.31Å; N623-D625 PolarHBondContact OD1-N 3.46Å; N623-F626 HydrophobicContact CB-CB 4.09Å; N623-F626 PolarHBondContact O-N 2.77Å
624P96.8Very high97.6Very high104 Ų10457.6 Ų57.668%0.67528%0.284SS*.THydrogen-bonded Turntrans-65.6-21.3-179.728.5-36.3000112.8K622K622-P624 WeakPolarHBondContact O-CD 3.4Å
625D96.9Very high97.5Very high48 Ų4864.4 Ų64.426%0.25731%0.314SS..THydrogen-bonded Turntrans-96.4-6-177.6-82.5-49.5000114.1K338 N543 Y544 N623K338-D625 WeakPolarHBondContact CE-O 3.38Å; K338-D625 VanDerWaalsContact NZ-CA 3.34Å; K338-D625 PolarHBondContact NZ-O 3.38Å; K338-D625 IonicContact NZ-OD1 3.35Å; K338-D625 PolarHBondContact NZ-OD1 3.49Å; N543-D625 HydrophobicContact CB-CB 4.28Å; N543-D625 PolarHBondContact ND2-OD2 3.16Å; Y544-D625 HydrophobicContact CE2-CB 4.44Å; Y544-D625 PolarHBondContact OH-O 3.15Å; N623-D625 PolarHBondContact O-N 2.97Å; N623-D625 WeakPolarHBondContact OD1-CB 3.31Å; N623-D625 PolarHBondContact OD1-N 3.46Å
626F98.5Very high97.5Very high15 Ų1565.1 Ų65.17%0.06632%0.315CS..  trans-142.5126.5-174-171.7-97.1000112.6Y328 Q329 A333 I334 Q337 Y544 N623 V629Y328-F626 WeakPolarHBondContact O-CE1 3.37Å; Q329-F626 HydrophobicContact CB-CD1 4.27Å; Q329-F626 HydrophobicContact CB-CE1 4.13Å; Q329-F626 HydrophobicContact CB-CZ 4.33Å; Q329-F626 HydrophobicContact CG-CD1 3.67Å; Q329-F626 HydrophobicContact CG-CE1 3.76Å; Q329-F626 HydrophobicContact CG-CG 4.3Å; Q329-F626 HydrophobicContact CG-CZ 4.45Å; A333-F626 HydrophobicContact CB-CE2 3.77Å; A333-F626 HydrophobicContact CB-CZ 3.75Å; I334-F626 HydrophobicContact CG1-CD2 3.87Å; I334-F626 HydrophobicContact CG1-CE2 3.77Å; Q337-F626 VanDerWaalsContact NE2-CE2 3.3Å; Y544-F626 HydrophobicContact CE1-CB 3.8Å; Y544-F626 AromaticContact CE1-CD2 3.96Å; Y544-F626 HydrophobicContact CE1-CD2 3.96Å; Y544-F626 HydrophobicContact CE1-CG 4.11Å; N623-F626 HydrophobicContact CB-CB 4.09Å; N623-F626 PolarHBondContact O-N 2.77Å; F626-V629 HydrophobicContact CZ-CG2 3.98Å
627K98Very high97.2Very high163 Ų16370 Ų7071%0.70934%0.338SS*.PPolyproline II helixtrans-89.5130.7169.8-174.2173.6-178.7171.50109.1Q337 V629Q337-K627 PolarHBondContact NE2-O 2.69Å; Q337-K627 PolarHBondContact OE1-O 2.93Å; K627-V629 PolarHBondContact O-N 3.19Å
628K97.9Very high97Very high99 Ų9974.2 Ų74.243%0.4336%0.364SS..PPolyproline II helixtrans-52.6134.7175.6-66178.4-177.91700111.1T327 R619T327-K628 HydrophobicContact CG2-CD 4.14Å; T327-K628 HydrophobicContact CG2-CG 4.08Å; R619-K628 PolarHBondContact O-NZ 3.48Å
629V98.4Very high96.8Very high24 Ų2474.3 Ų74.315%0.14537%0.366CS..PPolyproline II helixtrans-61.4139.2172.9-177.60000108.4A333 K361 F626 K627 P631 Y634A333-V629 HydrophobicContact CB-CG2 3.6Å; K361-V629 WeakPolarHBondContact O-CG1 3.37Å; F626-V629 HydrophobicContact CZ-CG2 3.98Å; K627-V629 PolarHBondContact O-N 3.19Å; V629-P631 WeakPolarHBondContact O-CD 3.39Å; V629-Y634 HydrophobicContact CG1-CD2 4.3Å; V629-Y634 HydrophobicContact CG1-CE2 3.51Å
630N98Very high96.7Very high76 Ų7676.9 Ų76.941%0.40639%0.39SS..  trans-103.4102.5170.2179.93000108.7S632 K633 Y634N630-S632 PolarHBondContact ND2-OG 2.69Å; N630-S632 PolarHBondContact O-N 2.82Å; N630-S632 VanDerWaalsContact O-N 3.12Å; N630-S632 PolarHBondContact OD1-N 2.74Å; N630-S632 PolarHBondContact OD1-OG 2.87Å; N630-K633 HydrophobicContact CB-CD 4.28Å; N630-K633 HydrophobicContact CB-CG 4.24Å; N630-K633 WeakPolarHBondContact O-CB 3.14Å; N630-K633 PolarHBondContact O-N 3.31Å; N630-K633 VanDerWaalsContact O-N 3.12Å; N630-Y634 WeakPolarHBondContact O-CD2 3.45Å
631P97.8Very high96.5Very high34 Ų3477.6 Ų77.622%0.22139%0.393CS..G310 helixtrans-59.2-26.6-175.1-24.734.5000113.9K361 H362 V629 K633 Y634K361-P631 HydrophobicContact CB-CB 3.91Å; H362-P631 WeakPolarHBondContact CD2-CG 3.27Å; H362-P631 VanDerWaalsContact NE2-CG 3.34Å; H362-P631 WeakPolarHBondContact NE2-CG 3.38Å; V629-P631 WeakPolarHBondContact O-CD 3.39Å; P631-K633 PolarHBondContact O-N 3.22Å; P631-K633 VanDerWaalsContact O-N 3.14Å; P631-Y634 PolarHBondContact O-N 2.73Å; P631-Y634 VanDerWaalsContact O-N 3.08Å
632S97Very high95.9Very high101 Ų10177 Ų7771%0.70640%0.395SS*.G310 helixtrans-68.1-12.7-179.570.40000114N630 Y634N630-S632 PolarHBondContact ND2-OG 2.69Å; N630-S632 PolarHBondContact O-N 2.82Å; N630-S632 VanDerWaalsContact O-N 3.12Å; N630-S632 PolarHBondContact OD1-N 2.74Å; N630-S632 PolarHBondContact OD1-OG 2.87Å; S632-Y634 VanDerWaalsContact C-N 3.31Å
633K97Very high95Very high161 Ų16176.6 Ų76.670%0.740%0.401SS*.G310 helixtrans-80.4-11.5174-64.7-172.5174.1-172.40113.6N630 P631N630-K633 HydrophobicContact CB-CD 4.28Å; N630-K633 HydrophobicContact CB-CG 4.24Å; N630-K633 WeakPolarHBondContact O-CB 3.14Å; N630-K633 PolarHBondContact O-N 3.31Å; N630-K633 VanDerWaalsContact O-N 3.12Å; P631-K633 PolarHBondContact O-N 3.22Å; P631-K633 VanDerWaalsContact O-N 3.14Å
634Y97.7Very high93.6Very high39 Ų3977.8 Ų77.815%0.15341%0.41CS..  trans-109.1128.4-174.1-61.2-91.6000110.4K361 G364 I365 V629 N630 P631 S632K361-Y634 HydrophobicContact CB-CG 4.47Å; K361-Y634 WeakPolarHBondContact CD-O 3.25Å; K361-Y634 WeakPolarHBondContact CE-O 3.1Å; K361-Y634 WeakPolarHBondContact O-CD2 3.44Å; G364-Y634 VanDerWaalsContact C-CE1 3.44Å; G364-Y634 VanDerWaalsContact CA-CZ 3.46Å; G364-Y634 WeakPolarHBondContact CA-OH 3.32Å; G364-Y634 WeakPolarHBondContact O-CE1 3.21Å; I365-Y634 WeakPolarHBondContact O-CD1 3.44Å; V629-Y634 HydrophobicContact CG1-CD2 4.3Å; V629-Y634 HydrophobicContact CG1-CE2 3.51Å; N630-Y634 WeakPolarHBondContact O-CD2 3.45Å; P631-Y634 PolarHBondContact O-N 2.73Å; P631-Y634 VanDerWaalsContact O-N 3.08Å; S632-Y634 VanDerWaalsContact C-N 3.31Å
635K94.3Very high91.8Very high149 Ų14979.5 Ų79.565%0.64841%0.407SS*.  trans-138.4123.6178.7-174.1-172173.8-151.40109.4E637K635-E637 HydrophobicContact CD-CG 4.28Å; K635-E637 HydrophobicContact CG-CG 4.36Å; K635-E637 IonicContact NZ-OE1 2.86Å; K635-E637 PolarHBondContact NZ-OE1 3.13Å
636Y96Very high89.5Confident17 Ų1785.5 Ų85.57%0.06743%0.431CS..  trans-9997.4177.4-54.1-48.8000109.7K351 D357 Y360 K361 I365 F368K351-Y636 PolarHBondContact NZ-O 2.8Å; D357-Y636 HydrophobicContact CB-CD2 4.35Å; D357-Y636 WeakPolarHBondContact O-CD2 3.21Å; D357-Y636 WeakPolarHBondContact O-CE2 3.37Å; Y360-Y636 VanDerWaalsContact CB-OH 3.26Å; Y360-Y636 WeakPolarHBondContact CB-OH 3.44Å; Y360-Y636 PolarHBondContact O-OH 2.95Å; K361-Y636 HydrophobicContact CG-CD2 4.41Å; K361-Y636 HydrophobicContact CG-CE2 3.66Å; K361-Y636 PolarHBondContact N-OH 2.67Å; I365-Y636 WeakPolarHBondContact O-CE1 3.49Å; I365-Y636 PolarHBondContact O-OH 2.86Å; F368-Y636 HydrophobicContact CB-CD1 3.62Å; F368-Y636 HydrophobicContact CB-CD2 4.36Å; F368-Y636 HydrophobicContact CB-CE1 3.99Å; F368-Y636 HydrophobicContact CB-CG 3.84Å; F368-Y636 HydrophobicContact CD1-CD2 4.4Å
637E92.9Very high89.1Confident111 Ų11189 Ų8952%0.51945%0.449SS..PPolyproline II helixtrans-69.8157-178.9-56.8-160.9139.300111.4Y373 K635Y373-E637 PolarHBondContact OH-O 3.17Å; K635-E637 HydrophobicContact CD-CG 4.28Å; K635-E637 HydrophobicContact CG-CG 4.36Å; K635-E637 IonicContact NZ-OE1 2.86Å; K635-E637 PolarHBondContact NZ-OE1 3.13Å
638T94.4Very high88.6Confident92 Ų9285.1 Ų85.156%0.56444%0.435SS*.PPolyproline II helixtrans-74130173.9-63.80000108.8T372 A642T372-T638 HydrophobicContact CG2-CG2 4.16Å; T638-A642 HydrophobicContact CG2-CB 3.28Å
639G95.1Very high88.1Confident6 Ų684.3 Ų84.36%0.06244%0.436CS..PPolyproline II helixtrans-71.1164.8-177.900000113.9T372 K641 A642T372-G639 CarbonylContact O-C 3.54Å; T372-G639 VanDerWaalsContact O-CA 3.23Å; T372-G639 WeakPolarHBondContact O-CA 3.36Å; T372-G639 PolarHBondContact OG1-N 2.97Å; G639-K641 PolarHBondContact O-N 3.17Å; G639-K641 VanDerWaalsContact O-N 3.15Å; G639-A642 WeakPolarHBondContact O-CB 3.27Å; G639-A642 PolarHBondContact O-N 3.27Å
640P94.9Very high87.5Confident110 Ų11087.9 Ų87.971%0.71445%0.453SS*.THydrogen-bonded Turntrans-69.1-12-17328.8-36.2000114.2
641K93.4Very high86.9Confident65 Ų6588.6 Ų88.628%0.28346%0.456SS..THydrogen-bonded Turntrans-102.913.9-179.5-61.8-174.4-174.81730112.5T372 Y373 Y374 D375 D394 G639 N643 S644T372-K641 CarbonylContact O-C 3.51Å; T372-K641 WeakPolarHBondContact O-CA 3.49Å; T372-K641 PolarHBondContact O-N 2.75Å; Y373-K641 WeakPolarHBondContact O-CD 3.29Å; Y374-K641 WeakPolarHBondContact O-CB 3.48Å; Y374-K641 WeakPolarHBondContact O-CD 3.21Å; D375-K641 HydrophobicContact CB-CD 4.19Å; D375-K641 VanDerWaalsContact N-CD 3.34Å; D394-K641 IonicContact OD2-NZ 2.76Å; D394-K641 PolarHBondContact OD2-NZ 3.19Å; G639-K641 PolarHBondContact O-N 3.17Å; G639-K641 VanDerWaalsContact O-N 3.15Å; K641-N643 PolarHBondContact O-N 3.06Å; K641-S644 PolarHBondContact O-N 3.26Å; K641-S644 PolarHBondContact O-OG 3.25Å
642A85.4Confident86.1Confident21 Ų2192.3 Ų92.317%0.17447%0.471CS..THydrogen-bonded Turntrans-57.6-16.6-177.500000116.3T372 T638 G639 K645T372-A642 HydrophobicContact CG2-CB 4.23Å; T372-A642 PolarHBondContact O-N 3.29Å; T638-A642 HydrophobicContact CG2-CB 3.28Å; G639-A642 WeakPolarHBondContact O-CB 3.27Å; G639-A642 PolarHBondContact O-N 3.27Å; A642-K645 VanDerWaalsContact O-CE 3.28Å; A642-K645 WeakPolarHBondContact O-CE 3.23Å; A642-K645 WeakPolarHBondContact O-CG 3.35Å
643N78.2Confident85.4Confident163 Ų16391.6 Ų91.687%0.87246%0.455SS*.THydrogen-bonded Turntrans-90.9-8.5177.1-68.9-18.1000113.8K641 K645K641-N643 PolarHBondContact O-N 3.06Å; N643-K645 PolarHBondContact O-N 2.73Å
644S66.8Low84.5Confident35 Ų3586.3 Ų86.325%0.24544%0.436CS..SBendtrans-78.135.2176.572.40000112Y374 M376 S377 K641Y374-S644 PolarHBondContact O-OG 2.8Å; M376-S644 CarbonylContact C-O 3.57Å; M376-S644 PolarHBondContact N-OG 2.88Å; M376-S644 VanDerWaalsContact N-OG 3.09Å; S377-S644 PolarHBondContact N-O 2.91Å; K641-S644 PolarHBondContact O-N 3.26Å; K641-S644 PolarHBondContact O-OG 3.25Å
645K58.8Low83.4Confident140 Ų14090.3 Ų90.361%0.60946%0.459SS*.  trans-69.2148.5-167.9-69.2-167.8175.9-176.40112.4A642 N643A642-K645 VanDerWaalsContact O-CE 3.28Å; A642-K645 WeakPolarHBondContact O-CE 3.23Å; A642-K645 WeakPolarHBondContact O-CG 3.35Å; N643-K645 PolarHBondContact O-N 2.73Å
646K50.2Low82.4Confident174 Ų17484.9 Ų84.976%0.75744%0.442SS*.  trans-540160.5-162.6-179.8-172.9177.30112N383N383-K646 PolarHBondContact O-NZ 3.05Å

Retrieved 646 of 646 residues in 213.9 ms (Link to these results)

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