A0A3Q0KPT6_SCHMA Loading...

Transmembrane protein 181

AlphaFold DB , UniProt , Accession A0A3Q0KPT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 528 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
1M42.2Very low57.4Low204 Ų20489.6 Ų89.6100%1.00544%0.44SS*.  0-70.10-134.2172.2-152.300113.5L3 Q4 R5M1-L3 PolarHBondContact O-N 3.5Å; M1-Q4 WeakPolarHBondContact O-CB 3.48Å; M1-Q4 PolarHBondContact O-N 3.42Å; M1-Q4 VanDerWaalsContact O-N 3.09Å; M1-R5 PolarHBondContact O-N 3.49Å; M1-R5 VanDerWaalsContact O-N 3.13Å
2F39.7Very low59.4Low154 Ų15484.7 Ų84.768%0.67542%0.419SS*.Hα-helixtrans-56.9-43.7-175.9-77.1-77.9000115.2Q4 R5 D6F2-Q4 VanDerWaalsContact C-N 3.27Å; F2-Q4 PolarHBondContact O-N 2.76Å; F2-R5 PolarHBondContact O-N 3.43Å; F2-D6 PolarHBondContact O-N 3.13Å; F2-D6 VanDerWaalsContact O-N 3.07Å
3L51.4Low61.2Low44 Ų4478.2 Ų78.223%0.2339%0.387CS..Hα-helixtrans-64.8-31.3179.1-159.985.4000112.6M1 L7 F386M1-L3 PolarHBondContact O-N 3.5Å; L3-L7 VanDerWaalsContact O-CD1 3.3Å; L3-L7 WeakPolarHBondContact O-CD1 3.49Å; L3-L7 PolarHBondContact O-N 3.42Å; L3-F386 HydrophobicContact CD2-CD1 4.4Å; L3-F386 HydrophobicContact CD2-CD2 4.38Å; L3-F386 HydrophobicContact CD2-CE1 3.71Å; L3-F386 HydrophobicContact CD2-CE2 3.7Å; L3-F386 HydrophobicContact CD2-CZ 3.31Å; L3-F386 HydrophobicContact CG-CE1 4.42Å; L3-F386 HydrophobicContact CG-CZ 3.92Å
4Q52.6Low62.9Low149 Ų14976.7 Ų76.770%0.69638%0.375SS*.Hα-helixtrans-75.1-34.9178.5-172.4171.3-22.500111M1 F2 L7 G8M1-Q4 WeakPolarHBondContact O-CB 3.48Å; M1-Q4 PolarHBondContact O-N 3.42Å; M1-Q4 VanDerWaalsContact O-N 3.09Å; F2-Q4 VanDerWaalsContact C-N 3.27Å; F2-Q4 PolarHBondContact O-N 2.76Å; Q4-L7 PolarHBondContact O-N 3.09Å; Q4-G8 PolarHBondContact O-N 3.3Å
5R51Low64.1Low193 Ų19371.7 Ų71.773%0.72835%0.351SS*.Hα-helixtrans-64.4-42.4172.5-164.8173.3-178.81350.3111.8M1 F2 L7 G8 T9M1-R5 PolarHBondContact O-N 3.49Å; M1-R5 VanDerWaalsContact O-N 3.13Å; F2-R5 PolarHBondContact O-N 3.43Å; R5-L7 VanDerWaalsContact C-N 3.34Å; R5-L7 PolarHBondContact O-N 2.94Å; R5-G8 WeakPolarHBondContact O-CA 3.3Å; R5-G8 PolarHBondContact O-N 3.44Å; R5-T9 PolarHBondContact O-N 3.34Å; R5-T9 VanDerWaalsContact O-N 3.11Å; R5-T9 PolarHBondContact O-OG1 3.37Å
6D54.4Low64.9Low70 Ų7072.3 Ų72.337%0.37435%0.349SS..Hα-helixtrans-64.3-37.6176.7-64.7-24000112.2F2 G8 T9 S10 S303F2-D6 PolarHBondContact O-N 3.13Å; F2-D6 VanDerWaalsContact O-N 3.07Å; D6-G8 VanDerWaalsContact C-N 3.29Å; D6-T9 PolarHBondContact O-N 3.33Å; D6-T9 PolarHBondContact O-OG1 3.07Å; D6-T9 VanDerWaalsContact O-OG1 3.07Å; D6-S10 WeakPolarHBondContact O-CB 3.43Å; D6-S10 PolarHBondContact O-N 3.25Å; D6-S10 PolarHBondContact O-OG 3.41Å; D6-S303 WeakPolarHBondContact OD2-CB 3.37Å
7L58.3Low65.6Low47 Ų4772.2 Ų72.225%0.24635%0.353CS..Hα-helixtrans-66.5-35.2172-99.273.7000111.9L3 Q4 R5 T9 S10 Y16 F386L3-L7 VanDerWaalsContact O-CD1 3.3Å; L3-L7 WeakPolarHBondContact O-CD1 3.49Å; L3-L7 PolarHBondContact O-N 3.42Å; Q4-L7 PolarHBondContact O-N 3.09Å; R5-L7 VanDerWaalsContact C-N 3.34Å; R5-L7 PolarHBondContact O-N 2.94Å; L7-T9 VanDerWaalsContact C-N 3.3Å; L7-T9 PolarHBondContact O-N 2.91Å; L7-S10 WeakPolarHBondContact CA-OG 3.17Å; L7-S10 PolarHBondContact O-N 2.87Å; L7-S10 PolarHBondContact O-OG 3.16Å; L7-Y16 HydrophobicContact CD2-CE2 4.09Å; L7-Y16 WeakPolarHBondContact CD2-OH 3.36Å; L7-F386 HydrophobicContact CD1-CE1 3.78Å; L7-F386 HydrophobicContact CD1-CZ 3.64Å; L7-F386 HydrophobicContact CD2-CE1 3.77Å; L7-F386 HydrophobicContact CD2-CE2 4.44Å; L7-F386 HydrophobicContact CD2-CZ 3.55Å; L7-F386 HydrophobicContact CG-CE1 4.45Å; L7-F386 HydrophobicContact CG-CZ 4.23Å
8G60.4Low66.3Low23 Ų2370.1 Ų70.124%0.23734%0.343CS..Hα-helixtrans-64.6-32.1177.600000113.2Q4 R5 D6 K495Q4-G8 PolarHBondContact O-N 3.3Å; R5-G8 WeakPolarHBondContact O-CA 3.3Å; R5-G8 PolarHBondContact O-N 3.44Å; D6-G8 VanDerWaalsContact C-N 3.29Å; G8-K495 VanDerWaalsContact C-NZ 3.33Å; G8-K495 VanDerWaalsContact CA-NZ 3.28Å; G8-K495 WeakPolarHBondContact O-CD 3.37Å; G8-K495 WeakPolarHBondContact O-CE 3.3Å; G8-K495 PolarHBondContact O-NZ 3.08Å
9T64.8Low67.2Low80 Ų8074.7 Ų74.749%0.49136%0.361SS..Hα-helixtrans-90.9-14.3178.952.70000113.7R5 D6 L7 Y240R5-T9 PolarHBondContact O-N 3.34Å; R5-T9 VanDerWaalsContact O-N 3.11Å; R5-T9 PolarHBondContact O-OG1 3.37Å; D6-T9 PolarHBondContact O-N 3.33Å; D6-T9 PolarHBondContact O-OG1 3.07Å; D6-T9 VanDerWaalsContact O-OG1 3.07Å; L7-T9 VanDerWaalsContact C-N 3.3Å; L7-T9 PolarHBondContact O-N 2.91Å; T9-Y240 WeakPolarHBondContact O-CD1 3.41Å
10S76.8Confident68Low21 Ų2180.3 Ų80.315%0.14738%0.384CS..SBendtrans-86.8153.1-178.565.30000112.2D6 L7 P12 Y240D6-S10 WeakPolarHBondContact O-CB 3.43Å; D6-S10 PolarHBondContact O-N 3.25Å; D6-S10 PolarHBondContact O-OG 3.41Å; L7-S10 WeakPolarHBondContact CA-OG 3.17Å; L7-S10 PolarHBondContact O-N 2.87Å; L7-S10 PolarHBondContact O-OG 3.16Å; S10-P12 WeakPolarHBondContact O-CD 3.24Å; S10-Y240 WeakPolarHBondContact CA-O 3.41Å
11V80.1Confident68.8Low1 Ų181 Ų811%0.00640%0.396CS..PPolyproline II helixtrans-56.6121.1175-179.20000109.8M13 F236 Y240 P484 T488 M492V11-M13 PolarHBondContact O-N 3.33Å; V11-F236 HydrophobicContact CG1-CD1 4.32Å; V11-F236 HydrophobicContact CG1-CD2 4.2Å; V11-F236 HydrophobicContact CG1-CE1 4.43Å; V11-F236 HydrophobicContact CG1-CE2 4.33Å; V11-F236 HydrophobicContact CG1-CG 4.2Å; V11-F236 HydrophobicContact CG1-CZ 4.44Å; V11-F236 HydrophobicContact CG2-CB 3.79Å; V11-F236 HydrophobicContact CG2-CD1 3.9Å; V11-F236 HydrophobicContact CG2-CD2 4.49Å; V11-F236 HydrophobicContact CG2-CG 3.78Å; V11-Y240 PolarHBondContact N-O 3.32Å; V11-P484 HydrophobicContact CG1-CB 3.91Å; V11-T488 HydrophobicContact CG1-CG2 3.89Å; V11-M492 HydrophobicContact CB-SD 4.45Å; V11-M492 HydrophobicContact CG2-SD 3.95Å
12P81.3Confident70.9Confident30 Ų3078.3 Ų78.320%0.19538%0.376CS..PPolyproline II helixtrans-63.1138.7178.726-35.1000110.6S10 P485 T488S10-P12 WeakPolarHBondContact O-CD 3.24Å; P12-P485 WeakPolarHBondContact O-CD 3.41Å; P12-T488 VanDerWaalsContact CD-CG2 3.41Å; P12-T488 HydrophobicContact CG-CG2 3.37Å
13M83.2Confident72.9Confident0 Ų073.7 Ų73.70%036%0.356CS..PPolyproline II helixtrans-93145.5175.9-70.7-175.3-84.700110V11 L15 Y16 T242 E244 R389 Y482V11-M13 PolarHBondContact O-N 3.33Å; M13-L15 HydrophobicContact CB-CB 4.47Å; M13-L15 PolarHBondContact O-N 3.18Å; M13-Y16 PolarHBondContact O-N 3.23Å; M13-T242 HydrophobicContact CE-CG2 4.16Å; M13-E244 HydrophobicContact SD-CB 4.23Å; M13-R389 VanDerWaalsContact CE-NE 3.29Å; M13-Y482 HydrophobicContact SD-CD1 3.4Å; M13-Y482 WeakPolarHBondContact SD-CD1 3.49Å; M13-Y482 HydrophobicContact SD-CE1 4.14Å; M13-Y482 HydrophobicContact SD-CG 3.89Å
14R84.5Confident74.5Confident58 Ų5875.7 Ų75.722%0.21937%0.369CS..Hα-helixtrans-55.6-30.2178.4-162.2175.5-153.9164.99.9113Y16 T17 M18 V481 S483R14-Y16 PolarHBondContact O-N 2.97Å; R14-Y16 VanDerWaalsContact O-N 3.07Å; R14-T17 PolarHBondContact O-N 3.41Å; R14-T17 VanDerWaalsContact O-N 3.1Å; R14-T17 PolarHBondContact O-OG1 2.85Å; R14-M18 HydrophobicContact CB-CE 4.5Å; R14-M18 HydrophobicContact CG-CE 3.49Å; R14-M18 VanDerWaalsContact CG-CE 3.49Å; R14-M18 HydrophobicContact CG-CG 4.14Å; R14-M18 WeakPolarHBondContact O-CG 3.18Å; R14-M18 PolarHBondContact O-N 3.4Å; R14-V481 PolarHBondContact N-O 3.16Å; R14-S483 VanDerWaalsContact CB-O 3.25Å; R14-S483 WeakPolarHBondContact CB-O 3.41Å; R14-S483 PolarHBondContact N-O 2.98Å
15L81.7Confident76.2Confident2 Ų272.3 Ų72.31%0.0136%0.359CS..Hα-helixtrans-46.8-36.1173.1-174.855.7000113.7M13 F23 L388 R389 F392 V481 Y482M13-L15 HydrophobicContact CB-CB 4.47Å; M13-L15 PolarHBondContact O-N 3.18Å; L15-F23 HydrophobicContact CD1-CD2 4.37Å; L15-F23 HydrophobicContact CD1-CE2 4.28Å; L15-L388 HydrophobicContact CD1-CD2 4.21Å; L15-L388 HydrophobicContact CD1-CG 4.3Å; L15-L388 HydrophobicContact CG-CD2 4.23Å; L15-R389 HydrophobicContact CD2-CB 4.46Å; L15-R389 HydrophobicContact CD2-CG 3.85Å; L15-F392 HydrophobicContact CD1-CB 4.36Å; L15-F392 HydrophobicContact CD1-CD1 4.5Å; L15-F392 HydrophobicContact CD1-CG 4.31Å; L15-F392 HydrophobicContact CD2-CD1 4.45Å; L15-V481 HydrophobicContact CB-CG1 3.59Å; L15-V481 HydrophobicContact CD1-CG1 3.72Å; L15-V481 HydrophobicContact CD2-CG1 4.16Å; L15-V481 HydrophobicContact CG-CG1 4Å; L15-V481 PolarHBondContact N-O 2.88Å; L15-V481 VanDerWaalsContact N-O 3.13Å; L15-Y482 HydrophobicContact CD2-CE1 4.46Å
16Y75.5Confident77.9Confident81 Ų8164 Ų6432%0.31833%0.33SS..Hα-helixtrans-84.2-25.9-176.3-64.7-38.7000114.4L7 M13 R14 R389L7-Y16 HydrophobicContact CD2-CE2 4.09Å; L7-Y16 WeakPolarHBondContact CD2-OH 3.36Å; M13-Y16 PolarHBondContact O-N 3.23Å; R14-Y16 PolarHBondContact O-N 2.97Å; R14-Y16 VanDerWaalsContact O-N 3.07Å; Y16-R389 HydrophobicContact CE1-CG 3.85Å; Y16-R389 VanDerWaalsContact CZ-CZ 3.48Å; Y16-R389 WeakPolarHBondContact OH-CD 3.49Å; Y16-R389 PolarHBondContact OH-NE 3.28Å; Y16-R389 PolarHBondContact OH-NH2 3.21Å
17T78.1Confident79.3Confident70 Ų7061.4 Ų61.443%0.42932%0.316SS..Hα-helixtrans-93-7.8178.564.90000112R14 K19 P485R14-T17 PolarHBondContact O-N 3.41Å; R14-T17 VanDerWaalsContact O-N 3.1Å; R14-T17 PolarHBondContact O-OG1 2.85Å; T17-K19 PolarHBondContact O-N 2.83Å; T17-P485 HydrophobicContact CG2-CG 3.96Å
18M78.2Confident80.8Confident35 Ų3562.7 Ų62.717%0.17233%0.326CS..  trans-71.8123.5-179.2-73-123.216200111.9R14 F480R14-M18 HydrophobicContact CB-CE 4.5Å; R14-M18 HydrophobicContact CG-CE 3.49Å; R14-M18 VanDerWaalsContact CG-CE 3.49Å; R14-M18 HydrophobicContact CG-CG 4.14Å; R14-M18 WeakPolarHBondContact O-CG 3.18Å; R14-M18 PolarHBondContact O-N 3.4Å; M18-F480 HydrophobicContact CE-CD1 4.24Å; M18-F480 HydrophobicContact CE-CE1 3.31Å; M18-F480 HydrophobicContact CE-CZ 3.73Å; M18-F480 HydrophobicContact SD-CE1 4.48Å
19K82.8Confident82.3Confident157 Ų15765.7 Ų65.768%0.68334%0.335SS*.  trans-64.8151.7165.4-54.5-176.7177.9-178.80109.9T17 C21 Y22 F23T17-K19 PolarHBondContact O-N 2.83Å; K19-C21 PolarHBondContact O-N 3.49Å; K19-C21 VanDerWaalsContact O-N 3.11Å; K19-Y22 HydrophobicContact CB-CD2 4.05Å; K19-Y22 HydrophobicContact CG-CD2 4.48Å; K19-Y22 PolarHBondContact O-N 3.22Å; K19-F23 PolarHBondContact O-N 3.43Å
20K82.8Confident83.4Confident187 Ų18762 Ų6281%0.81331%0.313SS*.Hα-helixtrans-50.3-38.6178.6-66.4-179.4-179.3175.50113.3F23 V24K20-F23 WeakPolarHBondContact O-CB 3.33Å; K20-F23 PolarHBondContact O-N 3.12Å; K20-V24 WeakPolarHBondContact O-CG2 3.49Å; K20-V24 PolarHBondContact O-N 3.13Å; K20-V24 VanDerWaalsContact O-N 3.1Å
21C85.8Confident84Confident96 Ų9665.4 Ų65.465%0.64933%0.325SS*.Hα-helixtrans-63-43.4178.2-560000112.8K19 F23 V24 V25K19-C21 PolarHBondContact O-N 3.49Å; K19-C21 VanDerWaalsContact O-N 3.11Å; C21-F23 VanDerWaalsContact C-N 3.3Å; C21-F23 PolarHBondContact O-N 3.35Å; C21-V24 PolarHBondContact O-N 3.29Å; C21-V25 WeakPolarHBondContact O-CG2 3.35Å; C21-V25 PolarHBondContact O-N 3.27Å
22Y85.3Confident84.6Confident147 Ų14770.6 Ų70.658%0.57635%0.352SS*.Hα-helixtrans-64.5-38.4177.6-74.4-77.4000111.5K19 V24 V25 V26K19-Y22 HydrophobicContact CB-CD2 4.05Å; K19-Y22 HydrophobicContact CG-CD2 4.48Å; K19-Y22 PolarHBondContact O-N 3.22Å; Y22-V24 VanDerWaalsContact C-N 3.35Å; Y22-V24 PolarHBondContact O-N 2.85Å; Y22-V25 PolarHBondContact O-N 3.07Å; Y22-V26 WeakPolarHBondContact O-CB 3.27Å; Y22-V26 WeakPolarHBondContact O-CG2 3.23Å; Y22-V26 PolarHBondContact O-N 3.44Å
23F81.2Confident85.1Confident56 Ų5672.3 Ų72.325%0.24636%0.359CS..Hα-helixtrans-59.3-44.7174.5-178.3-90.9000112.4L15 K19 K20 C21 T27 F392L15-F23 HydrophobicContact CD1-CD2 4.37Å; L15-F23 HydrophobicContact CD1-CE2 4.28Å; K19-F23 PolarHBondContact O-N 3.43Å; K20-F23 WeakPolarHBondContact O-CB 3.33Å; K20-F23 PolarHBondContact O-N 3.12Å; C21-F23 VanDerWaalsContact C-N 3.3Å; C21-F23 PolarHBondContact O-N 3.35Å; F23-T27 WeakPolarHBondContact O-CB 3.09Å; F23-T27 PolarHBondContact O-N 3.27Å; F23-T27 VanDerWaalsContact O-N 3.08Å; F23-T27 PolarHBondContact O-OG1 3.5Å; F23-F392 HydrophobicContact CD2-CD2 4.35Å; F23-F392 HydrophobicContact CE2-CB 3.93Å; F23-F392 AromaticContact CE2-CD2 3.26Å; F23-F392 HydrophobicContact CE2-CD2 3.26Å; F23-F392 HydrophobicContact CE2-CE2 4.05Å; F23-F392 AromaticContact CE2-CG 3.89Å; F23-F392 HydrophobicContact CE2-CG 3.89Å; F23-F392 HydrophobicContact CZ-CB 4.19Å; F23-F392 AromaticContact CZ-CD2 3.61Å; F23-F392 HydrophobicContact CZ-CD2 3.61Å; F23-F392 HydrophobicContact CZ-CG 4.35Å
24V85.3Confident85.3Confident86 Ų8673.2 Ų73.252%0.52136%0.364SS..Hα-helixtrans-63.4-46.6176174.10000110.8K20 C21 Y22 V26 T27 V28K20-V24 WeakPolarHBondContact O-CG2 3.49Å; K20-V24 PolarHBondContact O-N 3.13Å; K20-V24 VanDerWaalsContact O-N 3.1Å; C21-V24 PolarHBondContact O-N 3.29Å; Y22-V24 VanDerWaalsContact C-N 3.35Å; Y22-V24 PolarHBondContact O-N 2.85Å; V24-V26 VanDerWaalsContact C-N 3.34Å; V24-V26 PolarHBondContact O-N 3.36Å; V24-T27 WeakPolarHBondContact O-CB 3.1Å; V24-T27 PolarHBondContact O-N 2.93Å; V24-V28 HydrophobicContact CG1-CG2 4.29Å; V24-V28 WeakPolarHBondContact O-CG2 3.21Å; V24-V28 PolarHBondContact O-N 2.93Å
25V88.7Confident85.6Confident79 Ų7972.1 Ų72.148%0.47937%0.37SS..Hα-helixtrans-57.8-47.1178.8169.60000111.5C21 Y22 T27 V28 I29C21-V25 WeakPolarHBondContact O-CG2 3.35Å; C21-V25 PolarHBondContact O-N 3.27Å; Y22-V25 PolarHBondContact O-N 3.07Å; V25-T27 VanDerWaalsContact C-N 3.3Å; V25-T27 PolarHBondContact O-N 3.06Å; V25-V28 PolarHBondContact O-N 3.33Å; V25-I29 HydrophobicContact CG1-CD1 3.88Å; V25-I29 HydrophobicContact CG1-CG1 4.49Å; V25-I29 WeakPolarHBondContact O-CG1 3.45Å; V25-I29 PolarHBondContact O-N 3.49Å
26V86.8Confident86Confident19 Ų1974.8 Ų74.812%0.11539%0.388CS..Hα-helixtrans-62.1-39.7179.4169.40000111.4Y22 V24 I29 F30 L477 F480Y22-V26 WeakPolarHBondContact O-CB 3.27Å; Y22-V26 WeakPolarHBondContact O-CG2 3.23Å; Y22-V26 PolarHBondContact O-N 3.44Å; V24-V26 VanDerWaalsContact C-N 3.34Å; V24-V26 PolarHBondContact O-N 3.36Å; V26-I29 PolarHBondContact O-N 2.92Å; V26-F30 PolarHBondContact O-N 3.07Å; V26-F30 VanDerWaalsContact O-N 3.08Å; V26-L477 HydrophobicContact CG1-CD1 3.04Å; V26-L477 HydrophobicContact CG1-CG 4.5Å; V26-F480 HydrophobicContact CG1-CD1 4.28Å; V26-F480 HydrophobicContact CG1-CE1 4.42Å; V26-F480 HydrophobicContact CG2-CD1 4.26Å; V26-F480 HydrophobicContact CG2-CE1 3.61Å; V26-F480 HydrophobicContact CG2-CZ 4.44Å
27T84.6Confident86.5Confident15 Ų1570.9 Ų70.99%0.09237%0.373CS..Hα-helixtrans-66.7-41.1175.7-56.10000111.8F23 V24 V25 F30 F31 F395F23-T27 WeakPolarHBondContact O-CB 3.09Å; F23-T27 PolarHBondContact O-N 3.27Å; F23-T27 VanDerWaalsContact O-N 3.08Å; F23-T27 PolarHBondContact O-OG1 3.5Å; V24-T27 WeakPolarHBondContact O-CB 3.1Å; V24-T27 PolarHBondContact O-N 2.93Å; V25-T27 VanDerWaalsContact C-N 3.3Å; V25-T27 PolarHBondContact O-N 3.06Å; T27-F30 WeakPolarHBondContact O-CB 3.29Å; T27-F30 PolarHBondContact O-N 3.24Å; T27-F31 HydrophobicContact CG2-CD2 3.96Å; T27-F31 HydrophobicContact CG2-CE2 3.61Å; T27-F31 WeakPolarHBondContact O-CD2 3.22Å; T27-F31 PolarHBondContact O-N 3.4Å; T27-F31 VanDerWaalsContact O-N 3.09Å; T27-F395 HydrophobicContact CG2-CE1 3.7Å; T27-F395 HydrophobicContact CG2-CZ 4.29Å
28V90Very high86.9Confident73 Ų7370.2 Ų70.244%0.44237%0.369SS..Hα-helixtrans-63.3-43.7175.4170.90000110.9V24 V25 F30 F31 L32V24-V28 HydrophobicContact CG1-CG2 4.29Å; V24-V28 WeakPolarHBondContact O-CG2 3.21Å; V24-V28 PolarHBondContact O-N 2.93Å; V25-V28 PolarHBondContact O-N 3.33Å; V28-F30 VanDerWaalsContact C-N 3.28Å; V28-F30 PolarHBondContact O-N 2.91Å; V28-F31 PolarHBondContact O-N 3.25Å; V28-F31 VanDerWaalsContact O-N 3.15Å; V28-L32 HydrophobicContact CG1-CD1 4.09Å; V28-L32 HydrophobicContact CG1-CG 4.28Å; V28-L32 WeakPolarHBondContact O-CG 3.22Å; V28-L32 PolarHBondContact O-N 3.32Å
29I90.8Very high87.4Confident86 Ų8673.6 Ų73.644%0.44139%0.386SS..Hα-helixtrans-58.3-42.8175.5-68.7166.1000110.7V25 V26 F31 L32 I33V25-I29 HydrophobicContact CG1-CD1 3.88Å; V25-I29 HydrophobicContact CG1-CG1 4.49Å; V25-I29 WeakPolarHBondContact O-CG1 3.45Å; V25-I29 PolarHBondContact O-N 3.49Å; V26-I29 PolarHBondContact O-N 2.92Å; I29-F31 PolarHBondContact O-N 2.86Å; I29-L32 PolarHBondContact O-N 3.36Å; I29-I33 HydrophobicContact CG2-CD1 3.97Å; I29-I33 HydrophobicContact CG2-CG1 4.49Å; I29-I33 WeakPolarHBondContact O-CG1 3.49Å; I29-I33 PolarHBondContact O-N 3.43Å
30F88.7Confident87.5Confident3 Ų371.1 Ų71.11%0.01338%0.376CS..Hα-helixtrans-58.8-45.8175.6174.1-103.8000112.1V26 T27 V28 L32 I33 I34 Q396 I399 S473 L477V26-F30 PolarHBondContact O-N 3.07Å; V26-F30 VanDerWaalsContact O-N 3.08Å; T27-F30 WeakPolarHBondContact O-CB 3.29Å; T27-F30 PolarHBondContact O-N 3.24Å; V28-F30 VanDerWaalsContact C-N 3.28Å; V28-F30 PolarHBondContact O-N 2.91Å; F30-L32 PolarHBondContact O-N 3.16Å; F30-I33 PolarHBondContact O-N 2.65Å; F30-I34 HydrophobicContact CD1-CD1 3.97Å; F30-I34 HydrophobicContact CE1-CD1 3.33Å; F30-I34 HydrophobicContact CE1-CG1 4.49Å; F30-I34 HydrophobicContact CE2-CD1 4.03Å; F30-I34 HydrophobicContact CZ-CD1 3.35Å; F30-I34 HydrophobicContact CZ-CG1 4.26Å; F30-I34 PolarHBondContact O-N 3.46Å; F30-I34 VanDerWaalsContact O-N 3.11Å; F30-Q396 VanDerWaalsContact CD2-NE2 3.34Å; F30-I399 HydrophobicContact CE1-CG2 3.87Å; F30-S473 WeakPolarHBondContact CE2-OG 3.39Å; F30-L477 HydrophobicContact CB-CD2 4.31Å; F30-L477 HydrophobicContact CD2-CD2 4.25Å; F30-L477 HydrophobicContact CG-CD2 4.2Å
31F89.5Confident87.3Confident93 Ų9362.6 Ų62.641%0.40834%0.341SS..Hα-helixtrans-65.5-35.4174.9-75.6-64.7000113.4T27 V28 I29 I33 I34 G35 F395 I399T27-F31 HydrophobicContact CG2-CD2 3.96Å; T27-F31 HydrophobicContact CG2-CE2 3.61Å; T27-F31 WeakPolarHBondContact O-CD2 3.22Å; T27-F31 PolarHBondContact O-N 3.4Å; T27-F31 VanDerWaalsContact O-N 3.09Å; V28-F31 PolarHBondContact O-N 3.25Å; V28-F31 VanDerWaalsContact O-N 3.15Å; I29-F31 PolarHBondContact O-N 2.86Å; F31-I33 VanDerWaalsContact C-N 3.35Å; F31-I34 PolarHBondContact O-N 3.41Å; F31-G35 PolarHBondContact O-N 3.11Å; F31-F395 HydrophobicContact CE2-CE1 4.41Å; F31-F395 HydrophobicContact CE2-CZ 4.23Å; F31-F395 HydrophobicContact CZ-CE1 4.49Å; F31-F395 HydrophobicContact CZ-CZ 4.17Å; F31-I399 HydrophobicContact CE1-CD1 4.05Å; F31-I399 HydrophobicContact CE1-CG2 4.13Å; F31-I399 HydrophobicContact CE2-CD1 4.35Å; F31-I399 HydrophobicContact CZ-CD1 3.48Å; F31-I399 VanDerWaalsContact CZ-CD1 3.48Å; F31-I399 HydrophobicContact CZ-CG1 4.31Å
32L92.8Very high87.2Confident109 Ų10964 Ų6457%0.57134%0.341SS*.Hα-helixtrans-64.2-40.4174.6-71.2174000111.3V28 I29 F30 G35 C36V28-L32 HydrophobicContact CG1-CD1 4.09Å; V28-L32 HydrophobicContact CG1-CG 4.28Å; V28-L32 WeakPolarHBondContact O-CG 3.22Å; V28-L32 PolarHBondContact O-N 3.32Å; I29-L32 PolarHBondContact O-N 3.36Å; F30-L32 PolarHBondContact O-N 3.16Å; L32-G35 PolarHBondContact O-N 3.07Å; L32-C36 WeakPolarHBondContact O-CB 3.16Å; L32-C36 PolarHBondContact O-N 3.13Å; L32-C36 PolarHBondContact O-SG 2.9Å
33I91.1Very high87.2Confident66 Ų6662.8 Ų62.834%0.33835%0.349SS..Hα-helixtrans-64.1-42.6176.2-65163.8000110.7I29 F30 F31 C36 S37 F469I29-I33 HydrophobicContact CG2-CD1 3.97Å; I29-I33 HydrophobicContact CG2-CG1 4.49Å; I29-I33 WeakPolarHBondContact O-CG1 3.49Å; I29-I33 PolarHBondContact O-N 3.43Å; F30-I33 PolarHBondContact O-N 2.65Å; F31-I33 VanDerWaalsContact C-N 3.35Å; I33-C36 PolarHBondContact O-N 3.37Å; I33-S37 PolarHBondContact O-N 3.45Å; I33-F469 HydrophobicContact CG2-CD1 4.01Å
34I87.9Confident86.8Confident19 Ų1960.9 Ų60.910%0.09735%0.345CS..Hα-helixtrans-62.3-43.9173.3-66.3168.7000110.6F30 F31 C36 S37 V38 I399 V403F30-I34 HydrophobicContact CD1-CD1 3.97Å; F30-I34 HydrophobicContact CE1-CD1 3.33Å; F30-I34 HydrophobicContact CE1-CG1 4.49Å; F30-I34 HydrophobicContact CE2-CD1 4.03Å; F30-I34 HydrophobicContact CZ-CD1 3.35Å; F30-I34 HydrophobicContact CZ-CG1 4.26Å; F30-I34 PolarHBondContact O-N 3.46Å; F30-I34 VanDerWaalsContact O-N 3.11Å; F31-I34 PolarHBondContact O-N 3.41Å; I34-C36 PolarHBondContact O-N 3.22Å; I34-S37 WeakPolarHBondContact O-CB 3.44Å; I34-S37 PolarHBondContact O-N 3.45Å; I34-S37 VanDerWaalsContact O-N 3.11Å; I34-S37 PolarHBondContact O-OG 2.89Å; I34-V38 PolarHBondContact O-N 3.46Å; I34-I399 HydrophobicContact CD1-CG2 4.38Å; I34-V403 HydrophobicContact CD1-CG2 4.43Å
35G89.3Confident86.3Confident35 Ų3560.1 Ų60.136%0.36134%0.342SS..Hα-helixtrans-59.8-44.6176.300000112.7F31 L32 S37 V38 I39F31-G35 PolarHBondContact O-N 3.11Å; L32-G35 PolarHBondContact O-N 3.07Å; G35-S37 VanDerWaalsContact C-N 3.26Å; G35-S37 PolarHBondContact O-N 3.42Å; G35-V38 WeakPolarHBondContact O-CB 3.16Å; G35-V38 PolarHBondContact O-N 3.46Å; G35-I39 PolarHBondContact O-N 3.21Å
36C90Very high85.5Confident58 Ų5861 Ų6139%0.39234%0.344SS..Hα-helixtrans-60.8-35.5173.9-71.50000112L32 I33 I34 V38 I39 F40L32-C36 WeakPolarHBondContact O-CB 3.16Å; L32-C36 PolarHBondContact O-N 3.13Å; L32-C36 PolarHBondContact O-SG 2.9Å; I33-C36 PolarHBondContact O-N 3.37Å; I34-C36 PolarHBondContact O-N 3.22Å; C36-V38 VanDerWaalsContact C-N 3.26Å; C36-V38 PolarHBondContact O-N 3.1Å; C36-I39 PolarHBondContact O-N 2.94Å; C36-I39 VanDerWaalsContact O-N 3.13Å; C36-F40 HydrophobicContact CB-CD2 4.3Å; C36-F40 HydrophobicContact CB-CE2 4.22Å; C36-F40 WeakPolarHBondContact O-CD2 3.49Å; C36-F40 PolarHBondContact O-N 3.01Å
37S87Confident84.8Confident0 Ų060.2 Ų60.20%034%0.339CS..Hα-helixtrans-62-33.8177.679.80000112.9I33 I34 G35 G41 S465 L466 F469I33-S37 PolarHBondContact O-N 3.45Å; I34-S37 WeakPolarHBondContact O-CB 3.44Å; I34-S37 PolarHBondContact O-N 3.45Å; I34-S37 VanDerWaalsContact O-N 3.11Å; I34-S37 PolarHBondContact O-OG 2.89Å; G35-S37 VanDerWaalsContact C-N 3.26Å; G35-S37 PolarHBondContact O-N 3.42Å; S37-G41 PolarHBondContact O-N 2.72Å; S37-S465 WeakPolarHBondContact O-CB 3.33Å; S37-S465 PolarHBondContact O-OG 2.86Å; S37-L466 WeakPolarHBondContact OG-CD2 3.42Å; S37-F469 VanDerWaalsContact CB-CG 3.44Å
38V86.9Confident84.1Confident55 Ų5561.4 Ų61.433%0.33335%0.348SS..Hα-helixtrans-66.9-44173.7178.90000110.4I34 G35 C36 G41 L42 L462 L466I34-V38 PolarHBondContact O-N 3.46Å; G35-V38 WeakPolarHBondContact O-CB 3.16Å; G35-V38 PolarHBondContact O-N 3.46Å; C36-V38 VanDerWaalsContact C-N 3.26Å; C36-V38 PolarHBondContact O-N 3.1Å; V38-G41 WeakPolarHBondContact O-CA 3.45Å; V38-G41 PolarHBondContact O-N 3.49Å; V38-G41 VanDerWaalsContact O-N 3.16Å; V38-L42 HydrophobicContact CG1-CD1 4.02Å; V38-L42 HydrophobicContact CG1-CG 4.48Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 2.84Å; V38-L462 HydrophobicContact CB-CD1 4.43Å; V38-L462 HydrophobicContact CG1-CD1 4.11Å; V38-L466 HydrophobicContact CG2-CD2 3.6Å
39I87.6Confident83.3Confident106 Ų10660.1 Ų60.154%0.54434%0.339SS..Hα-helixtrans-63-47.3178.5-59.8171.5000110.5G35 C36 G41 L42 V43G35-I39 PolarHBondContact O-N 3.21Å; C36-I39 PolarHBondContact O-N 2.94Å; C36-I39 VanDerWaalsContact O-N 3.13Å; I39-G41 VanDerWaalsContact C-N 3.25Å; I39-G41 PolarHBondContact O-N 2.92Å; I39-L42 PolarHBondContact O-N 3.27Å; I39-V43 HydrophobicContact CG2-CG2 4.39Å; I39-V43 WeakPolarHBondContact O-CB 3.3Å; I39-V43 PolarHBondContact O-N 3.24Å
40F84.4Confident82.5Confident106 Ų10659.6 Ų59.647%0.46534%0.343SS..Hα-helixtrans-62.4-33.9174.1-75.6-61.4000112.3C36 L42 G44 F469C36-F40 HydrophobicContact CB-CD2 4.3Å; C36-F40 HydrophobicContact CB-CE2 4.22Å; C36-F40 WeakPolarHBondContact O-CD2 3.49Å; C36-F40 PolarHBondContact O-N 3.01Å; F40-L42 VanDerWaalsContact C-N 3.33Å; F40-G44 WeakPolarHBondContact O-CA 3.29Å; F40-G44 PolarHBondContact O-N 3.41Å; F40-F469 AromaticContact CD2-CE1 3.97Å; F40-F469 HydrophobicContact CD2-CE1 3.97Å; F40-F469 AromaticContact CD2-CZ 3.88Å; F40-F469 HydrophobicContact CD2-CZ 3.88Å; F40-F469 HydrophobicContact CE2-CE1 4.31Å; F40-F469 HydrophobicContact CE2-CZ 4.38Å; F40-F469 HydrophobicContact CG-CZ 4.48Å
41G79.8Confident82Confident7 Ų761.9 Ų61.97%0.07236%0.357CS..Hα-helixtrans-64.7-34.5175.100000114.3S37 V38 I39 L462 S465S37-G41 PolarHBondContact O-N 2.72Å; V38-G41 WeakPolarHBondContact O-CA 3.45Å; V38-G41 PolarHBondContact O-N 3.49Å; V38-G41 VanDerWaalsContact O-N 3.16Å; I39-G41 VanDerWaalsContact C-N 3.25Å; I39-G41 PolarHBondContact O-N 2.92Å; G41-L462 PolarHBondContact O-N 2.91Å; G41-S465 VanDerWaalsContact CA-OG 3.23Å; G41-S465 WeakPolarHBondContact CA-OG 3.17Å; G41-S465 PolarHBondContact N-OG 2.82Å
42L83.8Confident81.5Confident125 Ų12562.6 Ų62.665%0.65436%0.364SS*.Hα-helixtrans-89.9-36.1-177.5-67.8173.1000113.5V38 I39 F40 L462V38-L42 HydrophobicContact CG1-CD1 4.02Å; V38-L42 HydrophobicContact CG1-CG 4.48Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 2.84Å; I39-L42 PolarHBondContact O-N 3.27Å; F40-L42 VanDerWaalsContact C-N 3.33Å; L42-L462 HydrophobicContact CD2-CD2 4.45Å
43V84.3Confident80.9Confident122 Ų12260 Ų6074%0.73935%0.352SS*.Hα-helixtrans-102.4-24-174.4-177.60000112.2I39I39-V43 HydrophobicContact CG2-CG2 4.39Å; I39-V43 WeakPolarHBondContact O-CB 3.3Å; I39-V43 PolarHBondContact O-N 3.24Å
44G74.2Confident80.2Confident16 Ų1660 Ų6017%0.16536%0.358CS..SBendtrans-70.2163.2-176.300000113.4F40F40-G44 WeakPolarHBondContact O-CA 3.29Å; F40-G44 PolarHBondContact O-N 3.41Å
45P75.1Confident79.2Confident70 Ų7060.5 Ų60.546%0.45536%0.364SS..PPolyproline II helixtrans-56.6150.5177.914.4-27.3000113V47 F214 T461P45-V47 PolarHBondContact O-N 2.95Å; P45-F214 HydrophobicContact CB-CE2 4.36Å; P45-F214 VanDerWaalsContact CD-CZ 3.44Å; P45-F214 HydrophobicContact CG-CE1 4.49Å; P45-F214 HydrophobicContact CG-CE2 3.54Å; P45-F214 HydrophobicContact CG-CZ 3.48Å; P45-F214 VanDerWaalsContact CG-CZ 3.48Å; P45-T461 WeakPolarHBondContact O-CG2 3.31Å; P45-T461 PolarHBondContact O-OG1 3.37Å
46N71.8Confident77.5Confident99 Ų9963.9 Ų63.953%0.52938%0.382SS..PPolyproline II helixtrans-65.3122.6177.5-70.5-18.9000110.3S48 N49 T211 T461N46-S48 VanDerWaalsContact C-N 3.32Å; N46-N49 VanDerWaalsContact CB-OD1 3.28Å; N46-N49 WeakPolarHBondContact CB-OD1 3.45Å; N46-T211 PolarHBondContact O-OG1 3.45Å; N46-T461 VanDerWaalsContact CA-OG1 3.23Å; N46-T461 WeakPolarHBondContact CA-OG1 3.31Å
47V70.7Confident75.3Confident1 Ų168.4 Ų68.41%0.00640%0.402CS..SBendtrans-67.6-38.1178.5169.80000110.7P45 Y210 T211 F214 T461 F464P45-V47 PolarHBondContact O-N 2.95Å; V47-Y210 HydrophobicContact CB-CE2 4.49Å; V47-Y210 HydrophobicContact CG1-CD2 3.72Å; V47-Y210 HydrophobicContact CG1-CE1 4.42Å; V47-Y210 HydrophobicContact CG1-CE2 3.03Å; V47-Y210 VanDerWaalsContact CG1-CZ 3.43Å; V47-Y210 WeakPolarHBondContact O-CA 3.24Å; V47-T211 PolarHBondContact O-N 3.19Å; V47-T211 VanDerWaalsContact O-N 3.09Å; V47-F214 HydrophobicContact CG2-CD2 4.48Å; V47-F214 HydrophobicContact CG2-CE2 4.47Å; V47-T461 HydrophobicContact CG2-CG2 3.94Å; V47-T461 PolarHBondContact N-OG1 2.96Å; V47-F464 HydrophobicContact CG1-CB 4.39Å; V47-F464 HydrophobicContact CG1-CG 4.27Å; V47-F464 HydrophobicContact CG2-CB 4Å; V47-F464 HydrophobicContact CG2-CD1 3.7Å; V47-F464 HydrophobicContact CG2-CE1 4.45Å; V47-F464 HydrophobicContact CG2-CG 3.93Å
48S70.9Confident73Confident40 Ų4079.4 Ų79.428%0.2844%0.443SS..EExtended strand (participates in β ladder)trans-115.9125.2169.8179.50000109.6N46N46-S48 VanDerWaalsContact C-N 3.32Å
49N73.2Confident70.9Confident47 Ų4780.8 Ų80.825%0.25145%0.453SS..EExtended strand (participates in β ladder)trans-104.1128.3174.3-76.6-42.1000109.4N46 Q208 Y209N46-N49 VanDerWaalsContact CB-OD1 3.28Å; N46-N49 WeakPolarHBondContact CB-OD1 3.45Å; N49-Q208 VanDerWaalsContact O-CA 3.3Å; N49-Q208 WeakPolarHBondContact O-CA 3.48Å; N49-Y209 HydrophobicContact CB-CD2 3.99Å; N49-Y209 HydrophobicContact CB-CE1 4.01Å; N49-Y209 HydrophobicContact CB-CE2 3.47Å; N49-Y209 VanDerWaalsContact CB-CE2 3.47Å; N49-Y209 VanDerWaalsContact CB-CZ 3.45Å; N49-Y209 PolarHBondContact N-O 2.9Å; N49-Y209 PolarHBondContact O-N 2.84Å
50S73.7Confident68.1Low75 Ų7580.9 Ų80.952%0.52446%0.464SS..EExtended strand (participates in β ladder)trans-109.5127.8175.2640000111.3F207S50-F207 CarbonylContact C-O 3.59Å; S50-F207 WeakPolarHBondContact CA-O 3.37Å
51V79.2Confident65.6Low51 Ų5183.5 Ų83.531%0.30948%0.481SS..EExtended strand (participates in β ladder)trans-115.7123.7173.6179.80000108.9V53 F207 Y209V51-V53 HydrophobicContact CG1-CG2 4.28Å; V51-F207 PolarHBondContact N-O 2.6Å; V51-F207 PolarHBondContact O-N 3.16Å; V51-Y209 HydrophobicContact CG2-CE1 4.07Å
52I78.1Confident63.3Low107 Ų10788.8 Ų88.855%0.54951%0.511SS..EExtended strand (participates in β ladder)trans-97124.9177.3-52.3-179.7000109.2D204 F205 I206I52-D204 HydrophobicContact CG2-CB 4.04Å; I52-F205 CarbonylContact C-O 3.48Å; I52-F205 VanDerWaalsContact CA-O 3.28Å; I52-F205 WeakPolarHBondContact CA-O 3.49Å; I52-I206 HydrophobicContact CG1-CG1 4.28Å
53V80.5Confident60.8Low54 Ų5487.9 Ų87.933%0.32752%0.516SS..EExtended strand (participates in β ladder)trans-116.2100.2175.4-175.50000108.3V51 V71 F205 F207V51-V53 HydrophobicContact CG1-CG2 4.28Å; V53-V71 HydrophobicContact CB-CG1 4.07Å; V53-V71 HydrophobicContact CG1-CG1 3.96Å; V53-F205 PolarHBondContact N-O 3.48Å; V53-F205 PolarHBondContact O-N 2.62Å; V53-F207 HydrophobicContact CG2-CD2 4.14Å; V53-F207 HydrophobicContact CG2-CE2 4.04Å
54S75.1Confident58.5Low67 Ų6790 Ų9047%0.46952%0.522SS..EExtended strand (participates in β ladder)trans-75131.7175.7-63.90000111.3S56 D204S54-S56 PolarHBondContact O-N 3.44Å; S54-D204 WeakPolarHBondContact CA-OD1 3.36Å; S54-D204 WeakPolarHBondContact CB-OD1 3.44Å; S54-D204 PolarHBondContact OG-OD1 3.25Å
55S67.4Low57.1Low30 Ų3096.9 Ų96.921%0.2155%0.55CS.*  trans-76.583.417574.50000111.1Y69 V203S55-Y69 VanDerWaalsContact OG-CE1 3.26Å; S55-Y69 WeakPolarHBondContact OG-CE1 3.32Å; S55-V203 WeakPolarHBondContact CB-O 3.2Å; S55-V203 PolarHBondContact N-O 3.07Å; S55-V203 PolarHBondContact OG-N 3.37Å; S55-V203 PolarHBondContact OG-O 3.05Å; S55-V203 VanDerWaalsContact OG-O 3.12Å
56S54.2Low56.1Low106 Ų10695.7 Ų95.774%0.74155%0.546SS*.  trans-95.3-1171.261.90000113.8S54 R58S54-S56 PolarHBondContact O-N 3.44Å; S56-R58 PolarHBondContact O-N 3.43Å
57N44.5Very low55.8Low152 Ų15292.5 Ų92.581%0.81353%0.531SS*.SBendtrans-96.486-176.9-74.8-11.3000112.1
58R38.4Very low56.2Low232 Ų23295.7 Ų95.788%0.87555%0.551SS**  trans37.693.7144.8-140.3179.1-157-172.84.9116.1S56 S60S56-R58 PolarHBondContact O-N 3.43Å; R58-S60 PolarHBondContact O-N 3.47Å
59P41.7Very low56.8Low84 Ų8495.2 Ų95.255%0.54554%0.543SS..  trans-65.3126.615429.2-28000106.4I61P59-I61 PolarHBondContact O-N 3.46Å
60S29Very low57.2Low108 Ų10899.2 Ų99.276%0.75556%0.56SS**  trans-56.7104.4166.347.60000107.6R58 T62R58-S60 PolarHBondContact O-N 3.47Å; S60-T62 PolarHBondContact O-N 3.06Å
61I32.8Very low57.8Low161 Ų16196 Ų9683%0.82654%0.538SS*.  trans-64.698.3176.1-63.8166.8000106.3P59P59-I61 PolarHBondContact O-N 3.46Å
62T30.3Very low58.1Low117 Ų11797.4 Ų97.472%0.71854%0.543SS*.  trans-167.9119.6154.716.30000107.1S60S60-T62 PolarHBondContact O-N 3.06Å
63S31.7Very low58.5Low106 Ų10692.8 Ų92.874%0.74152%0.52SS*.  trans83.2136.7-178.878.60000117.5E65S63-E65 PolarHBondContact O-N 2.87Å; S63-E65 VanDerWaalsContact O-N 3.08Å
64L36.3Very low58.6Low167 Ų16791.5 Ų91.587%0.87451%0.513SS*.SBendtrans-80.229.4-165.8-162.875.2000112.4
65E45.7Very low59.1Low161 Ų16193.1 Ų93.175%0.75252%0.524SS*.SBendtrans-139.3109.4-163-69.6177.9166.300111.3S63S63-E65 PolarHBondContact O-N 2.87Å; S63-E65 VanDerWaalsContact O-N 3.08Å
66A53.6Low59.9Low44 Ų4492 Ų9236%0.36452%0.516SS..  trans63.6109.9173.900000117.9V68 Y178A66-V68 PolarHBondContact O-N 3.4Å; A66-Y178 HydrophobicContact CB-CD1 3.73Å; A66-Y178 HydrophobicContact CB-CE1 3.77Å
67S65.4Low61.1Low33 Ų3389.2 Ų89.223%0.23150%0.496CS..EExtended strand (participates in β ladder)trans-76.9111.7166.750.70000110Y69 K176 F177S67-Y69 WeakPolarHBondContact OG-CE2 3.5Å; S67-K176 WeakPolarHBondContact O-CA 3.45Å; S67-F177 PolarHBondContact N-O 3.3Å; S67-F177 PolarHBondContact O-N 2.82Å
68V78.5Confident62.5Low67 Ų6785.1 Ų85.141%0.40648%0.477SS..EExtended strand (participates in β ladder)trans-97.2119.2177.7-176.30000109.6A66 R174 K176A66-V68 PolarHBondContact O-N 3.4Å; V68-R174 HydrophobicContact CG1-CG 3.77Å; V68-K176 HydrophobicContact CB-CG 4.31Å; V68-K176 HydrophobicContact CG1-CG 4.07Å; V68-K176 HydrophobicContact CG2-CB 4.44Å; V68-K176 HydrophobicContact CG2-CD 3.95Å; V68-K176 HydrophobicContact CG2-CG 3.83Å
69Y82.9Confident64.3Low31 Ų3180 Ų8012%0.12246%0.461CS..EExtended strand (participates in β ladder)trans-108.1132.8175.7-61.2-84.3000109.8S55 S67 R174 V175 F177 V203 F205S55-Y69 VanDerWaalsContact OG-CE1 3.26Å; S55-Y69 WeakPolarHBondContact OG-CE1 3.32Å; S67-Y69 WeakPolarHBondContact OG-CE2 3.5Å; Y69-R174 CarbonylContact O-C 3.58Å; Y69-R174 WeakPolarHBondContact O-CA 3.4Å; Y69-V175 PolarHBondContact N-O 3.39Å; Y69-V175 PolarHBondContact O-N 3.3Å; Y69-F177 AromaticContact CD2-CD2 3.59Å; Y69-F177 HydrophobicContact CD2-CD2 3.59Å; Y69-F177 AromaticContact CD2-CE2 3.59Å; Y69-F177 HydrophobicContact CD2-CE2 3.59Å; Y69-F177 AromaticContact CE2-CD2 3.56Å; Y69-F177 HydrophobicContact CE2-CD2 3.56Å; Y69-F177 AromaticContact CE2-CE2 3.82Å; Y69-F177 HydrophobicContact CE2-CE2 3.82Å; Y69-V203 HydrophobicContact CD2-CG2 4.45Å; Y69-V203 HydrophobicContact CE1-CB 4.42Å; Y69-V203 HydrophobicContact CE1-CG2 4.16Å; Y69-V203 HydrophobicContact CE2-CG2 3.82Å; Y69-F205 HydrophobicContact CD1-CE2 4.33Å; Y69-F205 HydrophobicContact CD2-CZ 4.47Å; Y69-F205 HydrophobicContact CG-CE2 4.12Å; Y69-F205 HydrophobicContact CG-CZ 4.03Å
70Q83.2Confident66Low131 Ų13177.3 Ų77.361%0.61244%0.441SS*.EExtended strand (participates in β ladder)trans-113.6124.4171.5-70-176.82.300108.4F173 R174Q70-F173 WeakPolarHBondContact CA-O 3.24Å; Q70-R174 HydrophobicContact CG-CB 4.41Å; Q70-R174 HydrophobicContact CG-CG 4.23Å; Q70-R174 VanDerWaalsContact NE2-NH2 3.17Å
71V86.1Confident68.2Low8 Ų874.5 Ų74.55%0.04841%0.414CS..EExtended strand (participates in β ladder)trans-134.3124.8-173.9-167.10000108.4V53 F173 F205 F207V53-V71 HydrophobicContact CB-CG1 4.07Å; V53-V71 HydrophobicContact CG1-CG1 3.96Å; V71-F173 PolarHBondContact N-O 3.02Å; V71-F173 PolarHBondContact O-N 2.89Å; V71-F205 HydrophobicContact CB-CD2 4.48Å; V71-F205 HydrophobicContact CB-CG 4.49Å; V71-F205 HydrophobicContact CG1-CB 4.13Å; V71-F205 HydrophobicContact CG1-CD2 4.36Å; V71-F205 HydrophobicContact CG1-CG 4.26Å; V71-F205 HydrophobicContact CG2-CB 4.47Å; V71-F205 HydrophobicContact CG2-CD1 4.12Å; V71-F205 HydrophobicContact CG2-CD2 3.37Å; V71-F205 HydrophobicContact CG2-CE1 4.16Å; V71-F205 HydrophobicContact CG2-CE2 3.42Å; V71-F205 VanDerWaalsContact CG2-CE2 3.42Å; V71-F205 HydrophobicContact CG2-CG 3.72Å; V71-F205 HydrophobicContact CG2-CZ 3.82Å; V71-F207 HydrophobicContact CB-CZ 4.33Å; V71-F207 HydrophobicContact CG1-CE2 3.46Å; V71-F207 VanDerWaalsContact CG1-CE2 3.46Å; V71-F207 HydrophobicContact CG1-CZ 3.61Å
72D85.8Confident70.4Confident79 Ų7968.5 Ų68.542%0.42238%0.382SS..EExtended strand (participates in β ladder)trans-91.4138.6175.8-67.5-5.6000108.9Y171 K172D72-Y171 CarbonylContact C-O 3.55Å; D72-K172 WeakPolarHBondContact OD1-CD 3.19Å; D72-K172 WeakPolarHBondContact OD1-CG 3.33Å; D72-K172 IonicContact OD2-NZ 3.35Å
73S85Confident72.8Confident10 Ų1063 Ų637%0.0735%0.349CS..PPolyproline II helixtrans-66.3156.6173.1770000110.2Y171S73-Y171 WeakPolarHBondContact CB-O 3.31Å; S73-Y171 PolarHBondContact N-O 3.34Å; S73-Y171 PolarHBondContact OG-N 3.47Å; S73-Y171 PolarHBondContact OG-O 3.36Å
74P84Confident75.1Confident27 Ų2760.4 Ų60.418%0.17532%0.323CS..PPolyproline II helixtrans-57.5162.6164.626.3-34.1000110.8L76 F207 Y209P74-L76 HydrophobicContact CG-CD2 4.26Å; P74-L76 WeakPolarHBondContact O-CG 3.44Å; P74-L76 PolarHBondContact O-N 3.46Å; P74-F207 HydrophobicContact CG-CB 4.35Å; P74-Y209 HydrophobicContact CB-CE1 4.44Å; P74-Y209 HydrophobicContact CG-CD1 4.12Å; P74-Y209 HydrophobicContact CG-CE1 3.78Å
75S84.5Confident77.4Confident101 Ų10152.5 Ų52.571%0.70628%0.281SS*.  trans-65.8106.2173.2-62.40000109.8T169S75-T169 CarbonylContact C-O 3.47Å; S75-T169 WeakPolarHBondContact CA-O 3.41Å
76L83.7Confident79.1Confident6 Ų645.3 Ų45.33%0.03125%0.249CC..  trans-94146.9178.8-60.5168000110.3P74 H80 L83 V166 T169 Y171 Y209P74-L76 HydrophobicContact CG-CD2 4.26Å; P74-L76 WeakPolarHBondContact O-CG 3.44Å; P74-L76 PolarHBondContact O-N 3.46Å; L76-H80 HydrophobicContact CD2-CB 4.33Å; L76-L83 HydrophobicContact CD1-CB 4.38Å; L76-L83 HydrophobicContact CD1-CD1 3.9Å; L76-L83 HydrophobicContact CD1-CD2 3.76Å; L76-L83 HydrophobicContact CD1-CG 4.23Å; L76-L83 HydrophobicContact CD2-CD1 4.43Å; L76-V166 HydrophobicContact CB-CG1 3.74Å; L76-V166 HydrophobicContact CD1-CG1 3.63Å; L76-V166 HydrophobicContact CG-CG1 4.25Å; L76-T169 PolarHBondContact N-O 3.05Å; L76-T169 VanDerWaalsContact O-CA 3.26Å; L76-T169 WeakPolarHBondContact O-CA 3.35Å; L76-Y171 HydrophobicContact CD1-CD2 4.1Å; L76-Y171 HydrophobicContact CD1-CE2 4.26Å; L76-Y209 HydrophobicContact CD2-CD1 3.99Å; L76-Y209 HydrophobicContact CD2-CD2 4.41Å; L76-Y209 HydrophobicContact CD2-CG 3.93Å
77S80.4Confident80.4Confident48 Ų4843.2 Ų43.234%0.33623%0.232SC..  trans-105.7163.316476.40000110.5F79 H80S77-F79 PolarHBondContact O-N 3.49Å; S77-F79 VanDerWaalsContact O-N 3.08Å; S77-F79 PolarHBondContact OG-N 3.3Å; S77-H80 PolarHBondContact N-CE1 3.5Å; S77-H80 PolarHBondContact N-ND1 3.3Å; S77-H80 WeakPolarHBondContact O-CB 3.45Å; S77-H80 PolarHBondContact O-N 3.33Å; S77-H80 PolarHBondContact O-ND1 3Å; S77-H80 PolarHBondContact OG-CE1 3.44Å; S77-H80 PolarHBondContact OG-ND1 3.06Å; S77-H80 VanDerWaalsContact OG-ND1 3.1Å
78V74.5Confident81.2Confident66 Ų6643.6 Ų43.640%0.423%0.231SC..THydrogen-bonded Turntrans-57.8-20.2174.5-179.80000112.6H80 Y267V78-H80 VanDerWaalsContact C-N 3.25Å; V78-H80 PolarHBondContact O-N 2.86Å; V78-Y267 HydrophobicContact CB-CE1 4.4Å; V78-Y267 HydrophobicContact CG1-CD1 3.32Å; V78-Y267 HydrophobicContact CG1-CD2 4.22Å; V78-Y267 HydrophobicContact CG1-CE1 3.05Å; V78-Y267 HydrophobicContact CG1-CE2 3.98Å; V78-Y267 HydrophobicContact CG1-CG 3.91Å; V78-Y267 WeakPolarHBondContact O-CE1 2.99Å; V78-Y267 PolarHBondContact O-OH 3.04Å
79F74.4Confident81.3Confident125 Ų12540.5 Ų40.555%0.54821%0.212SC..THydrogen-bonded Turntrans-76.2-8.6175.8-62.3-70.5000114.2S77 T212S77-F79 PolarHBondContact O-N 3.49Å; S77-F79 VanDerWaalsContact O-N 3.08Å; S77-F79 PolarHBondContact OG-N 3.3Å; F79-T212 WeakPolarHBondContact O-CG2 3.41Å; F79-T212 PolarHBondContact O-OG1 2.95Å
80H78.8Confident81.2Confident27 Ų2739.8 Ų39.813%0.12521%0.21CC..EExtended strand (participates in β ladder)trans-84.7118.9172-5796.4000108.8L76 S77 V78 V166 Y209 Y210L76-H80 HydrophobicContact CD2-CB 4.33Å; S77-H80 PolarHBondContact N-CE1 3.5Å; S77-H80 PolarHBondContact N-ND1 3.3Å; S77-H80 WeakPolarHBondContact O-CB 3.45Å; S77-H80 PolarHBondContact O-N 3.33Å; S77-H80 PolarHBondContact O-ND1 3Å; S77-H80 PolarHBondContact OG-CE1 3.44Å; S77-H80 PolarHBondContact OG-ND1 3.06Å; S77-H80 VanDerWaalsContact OG-ND1 3.1Å; V78-H80 VanDerWaalsContact C-N 3.25Å; V78-H80 PolarHBondContact O-N 2.86Å; H80-V166 WeakPolarHBondContact O-CB 3.33Å; H80-V166 WeakPolarHBondContact O-CG2 3.45Å; H80-Y209 AromaticContact CD2-CD2 3.22Å; H80-Y209 WeakPolarHBondContact CD2-CD2 3.17Å; H80-Y209 AromaticContact CD2-CE2 3.66Å; H80-Y209 AromaticContact NE2-CD2 3.71Å; H80-Y209 AromaticContact NE2-CE2 3.61Å; H80-Y210 WeakPolarHBondContact CA-O 3.41Å
81R75.4Confident80.8Confident49 Ų4933.9 Ų33.919%0.18518%0.182CC..EExtended strand (participates in β ladder)trans-74.8-36.4-169.6-54.1-175.472.4-166.8-8.9113.5Y210 T212 Y263 D278R81-Y210 HydrophobicContact CG-CD1 4.01Å; R81-Y210 PolarHBondContact N-O 3.13Å; R81-Y210 VanDerWaalsContact N-O 3.15Å; R81-T212 HydrophobicContact CG-CG2 3.28Å; R81-Y263 VanDerWaalsContact CA-OH 3.24Å; R81-Y263 WeakPolarHBondContact CA-OH 3.01Å; R81-Y263 VanDerWaalsContact CB-OH 3.24Å; R81-Y263 WeakPolarHBondContact CB-OH 3.31Å; R81-Y263 HydrophobicContact CG-CE1 4.35Å; R81-Y263 HydrophobicContact CG-CE2 4.38Å; R81-Y263 VanDerWaalsContact CG-OH 3.32Å; R81-Y263 WeakPolarHBondContact CG-OH 3.06Å; R81-Y263 VanDerWaalsContact NH2-CE2 3.27Å; R81-D278 IonicContact CZ-OD2 2.68Å; R81-D278 IonicContact NH1-OD2 3.94Å; R81-D278 PolarHBondContact NH1-OD2 3.45Å; R81-D278 IonicContact NH2-OD2 3.42Å; R81-D278 PolarHBondContact NH2-OD2 3.26Å
82E77.7Confident80Confident35 Ų3534.8 Ų34.816%0.16419%0.191CC..EExtended strand (participates in β ladder)trans-148.3151.5-171.356.6178.2-165.400110.1W84 H162 L163 I164 Y209E82-W84 PolarHBondContact OE1-NE1 3.14Å; E82-W84 PolarHBondContact OE2-NE1 2.85Å; E82-H162 IonicContact OE2-NE2 3.49Å; E82-H162 PolarHBondContact OE2-NE2 3.38Å; E82-L163 WeakPolarHBondContact CA-O 3.29Å; E82-I164 HydrophobicContact CB-CD1 4.2Å; E82-I164 HydrophobicContact CB-CG1 3.78Å; E82-Y209 WeakPolarHBondContact O-CA 3.39Å; E82-Y209 WeakPolarHBondContact O-CB 3.27Å
83L80.3Confident79.2Confident1 Ų135.8 Ų35.81%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-127.3120.5174178.870.6000109.1L76 H162 L163 V166 Y171 F173 F207 Q208L76-L83 HydrophobicContact CD1-CB 4.38Å; L76-L83 HydrophobicContact CD1-CD1 3.9Å; L76-L83 HydrophobicContact CD1-CD2 3.76Å; L76-L83 HydrophobicContact CD1-CG 4.23Å; L76-L83 HydrophobicContact CD2-CD1 4.43Å; L83-H162 CarbonylContact O-C 3.5Å; L83-H162 WeakPolarHBondContact O-CA 3.27Å; L83-L163 HydrophobicContact CB-CB 4.26Å; L83-L163 PolarHBondContact N-O 3.15Å; L83-L163 PolarHBondContact O-N 3.32Å; L83-V166 HydrophobicContact CB-CG2 4.07Å; L83-Y171 HydrophobicContact CD2-CD2 4.29Å; L83-F173 HydrophobicContact CD2-CE2 4.11Å; L83-F173 HydrophobicContact CD2-CZ 3.99Å; L83-F207 HydrophobicContact CD1-CB 4.33Å; L83-F207 HydrophobicContact CD1-CD1 3.99Å; L83-F207 HydrophobicContact CG-CD1 4.48Å; L83-Q208 WeakPolarHBondContact CA-O 3.48Å
84W81.6Confident78.3Confident53 Ų5336.6 Ų36.620%0.20121%0.205CC..EExtended strand (participates in β ladder)trans-103.6137.8172.3-55.682.6000109.4E82 F159 H162 F207 Q208E82-W84 PolarHBondContact OE1-NE1 3.14Å; E82-W84 PolarHBondContact OE2-NE1 2.85Å; W84-F159 HydrophobicContact CE3-CD2 4.16Å; W84-F159 AromaticContact CE3-CE2 3.52Å; W84-F159 HydrophobicContact CE3-CE2 3.52Å; W84-F159 HydrophobicContact CE3-CZ 4.25Å; W84-F159 AromaticContact CZ3-CE2 3.92Å; W84-F159 HydrophobicContact CZ3-CE2 3.92Å; W84-F159 HydrophobicContact CZ3-CZ 4.25Å; W84-H162 HydrophobicContact CD2-CB 4.43Å; W84-H162 AromaticContact CD2-CD2 3.31Å; W84-H162 AromaticContact CD2-NE2 3.82Å; W84-H162 AromaticContact CE2-CD2 3.25Å; W84-H162 AromaticContact CE2-NE2 3.21Å; W84-H162 HydrophobicContact CE3-CB 3.93Å; W84-H162 AromaticContact CE3-CD2 3.61Å; W84-H162 AromaticContact CE3-CG 3.89Å; W84-H162 AromaticContact CG-CD2 3.86Å; W84-H162 AromaticContact CH2-CD2 3.71Å; W84-H162 AromaticContact CH2-CE1 3.57Å; W84-H162 AromaticContact CH2-CG 3.91Å; W84-H162 AromaticContact CH2-ND1 3.9Å; W84-H162 AromaticContact CH2-NE2 3.5Å; W84-H162 AromaticContact CZ2-CD2 3.48Å; W84-H162 VanDerWaalsContact CZ2-CD2 3.48Å; W84-H162 WeakPolarHBondContact CZ2-CD2 3.45Å; W84-H162 AromaticContact CZ2-CE1 3.55Å; W84-H162 AromaticContact CZ2-NE2 3.05Å; W84-H162 WeakPolarHBondContact CZ2-NE2 3.24Å; W84-H162 HydrophobicContact CZ3-CB 3.99Å; W84-H162 AromaticContact CZ3-CD2 3.78Å; W84-H162 AromaticContact CZ3-CG 3.79Å; W84-H162 AromaticContact NE1-CD2 3.78Å; W84-H162 AromaticContact NE1-NE2 3.7Å; W84-F207 CarbonylContact O-C 3.56Å; W84-F207 VanDerWaalsContact O-CA 3.3Å; W84-F207 WeakPolarHBondContact O-CA 3.42Å; W84-Q208 HydrophobicContact CB-CB 4.15Å; W84-Q208 PolarHBondContact N-O 3.47Å; W84-Q208 PolarHBondContact O-N 3.32Å
85L83.1Confident77.2Confident1 Ų143.8 Ų43.81%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-122121.3171.717660.4000109.2L160 F161 F173 F205 I206 F207L85-L160 HydrophobicContact CD2-CB 4.39Å; L85-L160 HydrophobicContact CD2-CD1 4.33Å; L85-L160 HydrophobicContact CG-CB 4.14Å; L85-L160 HydrophobicContact CG-CD1 4.13Å; L85-L160 WeakPolarHBondContact O-CA 3.32Å; L85-L160 WeakPolarHBondContact O-CB 3.37Å; L85-L160 PolarHBondContact O-N 3.36Å; L85-F161 HydrophobicContact CB-CB 4.16Å; L85-F161 HydrophobicContact CD2-CB 4.46Å; L85-F161 PolarHBondContact N-O 3.24Å; L85-F161 PolarHBondContact O-N 3.38Å; L85-F161 VanDerWaalsContact O-N 3.12Å; L85-F173 HydrophobicContact CD2-CB 3.93Å; L85-F173 HydrophobicContact CD2-CD1 3.57Å; L85-F173 HydrophobicContact CD2-CD2 4.06Å; L85-F173 HydrophobicContact CD2-CE1 4.07Å; L85-F173 HydrophobicContact CD2-CE2 4.49Å; L85-F173 HydrophobicContact CD2-CG 3.57Å; L85-F173 HydrophobicContact CD2-CZ 4.5Å; L85-F205 HydrophobicContact CD1-CB 4.15Å; L85-F205 HydrophobicContact CD1-CD1 4.09Å; L85-I206 WeakPolarHBondContact CA-O 3.28Å; L85-F207 HydrophobicContact CB-CD1 4.49Å; L85-F207 HydrophobicContact CB-CE1 4.44Å; L85-F207 HydrophobicContact CD1-CD1 3.92Å; L85-F207 HydrophobicContact CD1-CE1 3.59Å; L85-F207 HydrophobicContact CD1-CE2 4.23Å; L85-F207 HydrophobicContact CD1-CG 4.39Å; L85-F207 HydrophobicContact CD1-CZ 3.77Å; L85-F207 HydrophobicContact CD2-CE1 4.37Å; L85-F207 HydrophobicContact CG-CE1 4.34Å
86S81.5Confident76Confident10 Ų1044.9 Ų44.97%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-122.6164.7171.5-58.80000110.8E157 L158 F205 I206S86-E157 WeakPolarHBondContact CB-OE1 3.44Å; S86-E157 PolarHBondContact OG-OE1 3.39Å; S86-L158 CarbonylContact C-O 3.37Å; S86-L158 VanDerWaalsContact CA-O 3.24Å; S86-L158 WeakPolarHBondContact CA-O 3.08Å; S86-F205 CarbonylContact O-C 3.51Å; S86-F205 WeakPolarHBondContact O-CA 2.99Å; S86-I206 PolarHBondContact N-O 3.12Å; S86-I206 PolarHBondContact O-N 3.18Å
87A82.1Confident74.8Confident0 Ų049.3 Ų49.30%025%0.254CS..EExtended strand (participates in β ladder)trans-134.3142.2173.500000112.1L158 L160 V203 D204 F205A87-L158 PolarHBondContact N-O 3.1Å; A87-L158 WeakPolarHBondContact O-CB 3.47Å; A87-L158 PolarHBondContact O-N 3.36Å; A87-L160 HydrophobicContact CB-CD1 3.61Å; A87-L160 HydrophobicContact CB-CG 4.16Å; A87-V203 HydrophobicContact CB-CG1 3.8Å; A87-D204 CarbonylContact C-O 3.59Å; A87-D204 WeakPolarHBondContact CA-O 3.13Å; A87-F205 HydrophobicContact CB-CD1 4Å; A87-F205 HydrophobicContact CB-CE1 4.08Å
88I82Confident73.8Confident41 Ų4148.6 Ų48.621%0.2125%0.251CS..EExtended strand (participates in β ladder)trans-110.6118.2167.4-61.7178.3000107.5E157 V203 D204 I206I88-E157 HydrophobicContact CG1-CB 4.36Å; I88-E157 HydrophobicContact CG1-CG 4.42Å; I88-V203 WeakPolarHBondContact O-CA 3.32Å; I88-D204 HydrophobicContact CB-CB 4.39Å; I88-D204 PolarHBondContact N-O 2.95Å; I88-D204 PolarHBondContact O-N 3.43Å; I88-I206 HydrophobicContact CD1-CD1 3.71Å; I88-I206 HydrophobicContact CG1-CD1 4.08Å
89I80.9Confident73.3Confident1 Ų151.1 Ų51.11%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-86.8116.3178.2-58.1175.6000108.1I104 C155 L158 F177 F198 I200I89-I104 HydrophobicContact CD1-CD1 3.66Å; I89-C155 HydrophobicContact CB-CB 4.13Å; I89-C155 WeakPolarHBondContact O-CB 3.35Å; I89-C155 PolarHBondContact O-N 3.44Å; I89-C155 PolarHBondContact O-SG 3.36Å; I89-C155 VanDerWaalsContact O-SG 3.37Å; I89-L158 HydrophobicContact CD1-CD2 4.4Å; I89-F177 HydrophobicContact CD1-CD1 4.36Å; I89-F177 HydrophobicContact CD1-CE1 4.12Å; I89-F198 HydrophobicContact CG2-CE1 4.47Å; I89-F198 HydrophobicContact CG2-CZ 4.49Å; I89-I200 HydrophobicContact CG2-CB 4.4Å; I89-I200 HydrophobicContact CG2-CD1 4.16Å; I89-I200 HydrophobicContact CG2-CG1 3.85Å; I89-I200 HydrophobicContact CG2-CG2 3.89Å
90N80.6Confident73.1Confident16 Ų1646.7 Ų46.79%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-89.3126.3168.1-59.1-55.1000108.2T153 K154 T201 S202 D204N90-T153 WeakPolarHBondContact CA-O 3.38Å; N90-K154 WeakPolarHBondContact OD1-CG 3.45Å; N90-T201 VanDerWaalsContact C-OG1 3.25Å; N90-T201 PolarHBondContact O-N 3.14Å; N90-T201 PolarHBondContact O-OG1 3.3Å; N90-S202 WeakPolarHBondContact CA-O 3.25Å; N90-S202 WeakPolarHBondContact CB-O 3.26Å; N90-S202 WeakPolarHBondContact CB-OG 3.49Å; N90-S202 PolarHBondContact N-O 3.05Å; N90-S202 PolarHBondContact ND2-OG 3.16Å; N90-S202 PolarHBondContact O-N 2.87Å; N90-D204 PolarHBondContact ND2-OD2 3.3Å
91R73.5Confident72.7Confident7 Ų747.3 Ų47.33%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-110.5156.6178.268.2170.4-169154.41.9111.3A98 D152 T153 F198 K199R91-A98 PolarHBondContact NH2-O 2.89Å; R91-D152 PolarHBondContact NE-O 3.06Å; R91-D152 PolarHBondContact NH2-O 2.86Å; R91-T153 WeakPolarHBondContact CG-O 3.39Å; R91-T153 PolarHBondContact N-O 2.77Å; R91-F198 HydrophobicContact CB-CE2 4.37Å; R91-F198 HydrophobicContact CB-CZ 4.41Å; R91-K199 WeakPolarHBondContact CA-O 3.25Å
92A70.1Confident72.4Confident28 Ų2845.8 Ų45.823%0.23124%0.243CC..PPolyproline II helixtrans-61.6142.6170.300000110.1L94 K199 T201A92-L94 PolarHBondContact O-N 3.37Å; A92-K199 HydrophobicContact CB-CB 4.28Å; A92-K199 PolarHBondContact N-O 3.44Å; A92-T201 HydrophobicContact CB-CG2 3.88Å
93P68.7Low72.3Confident99 Ų9948.9 Ų48.964%0.64326%0.261SS*.PPolyproline II helixtrans-59.3128.6174.924.7-32.5000109.8T153P93-T153 HydrophobicContact CB-CG2 4.08Å
94L65.7Low72.1Confident28 Ų2849.1 Ų49.115%0.14726%0.262CS..PPolyproline II helixtrans-81.8148169.9-66.4-178.1000109.2A92 Q96 N97 V100 L196A92-L94 PolarHBondContact O-N 3.37Å; L94-Q96 PolarHBondContact O-N 2.99Å; L94-N97 PolarHBondContact O-N 2.94Å; L94-N97 VanDerWaalsContact O-N 3.09Å; L94-V100 HydrophobicContact CD1-CG2 3.75Å; L94-L196 HydrophobicContact CD2-CD2 3.94Å
95E61.3Low72.1Confident177 Ų17748 Ų4883%0.82726%0.26SS*.THydrogen-bonded Turntrans-54.9-20.1-177.9-66.6-173.3163.400114
96Q60.9Low72.1Confident124 Ų12448.1 Ų48.158%0.57926%0.26SS*.THydrogen-bonded Turntrans-115.49-179.8-64.6-171.19.500116L94 A98L94-Q96 PolarHBondContact O-N 2.99Å; Q96-A98 PolarHBondContact O-N 3.42Å
97N57Low72.3Confident100 Ų10047.9 Ų47.954%0.53526%0.259SS..  trans42.436.9-171.7-73-21.2000112.4L94 K99L94-N97 PolarHBondContact O-N 2.94Å; L94-N97 VanDerWaalsContact O-N 3.09Å; N97-K99 PolarHBondContact O-N 3.39Å
98A59.1Low72.5Confident33 Ų3348.1 Ų48.127%0.27326%0.26SS..  trans-68.8135-177.300000108.7R91 Q96 V100R91-A98 PolarHBondContact NH2-O 2.89Å; Q96-A98 PolarHBondContact O-N 3.42Å; A98-V100 HydrophobicContact CB-CG2 4.36Å; A98-V100 WeakPolarHBondContact O-CG2 3.25Å; A98-V100 PolarHBondContact O-N 2.92Å
99K65.6Low72.6Confident118 Ų11847.2 Ų47.251%0.51326%0.255SS..  trans-67.5116.8168-61.2-173.7177.4-175.40107.1N97N97-K99 PolarHBondContact O-N 3.39Å
100V69.6Low72.8Confident33 Ų3347.2 Ų47.220%0.226%0.255CS..EExtended strand (participates in β ladder)trans-118.7136-178.2-175.20000108.9L94 A98 V102 C150L94-V100 HydrophobicContact CD1-CG2 3.75Å; A98-V100 HydrophobicContact CB-CG2 4.36Å; A98-V100 WeakPolarHBondContact O-CG2 3.25Å; A98-V100 PolarHBondContact O-N 2.92Å; V100-V102 HydrophobicContact CG1-CG2 3.5Å; V100-V102 VanDerWaalsContact CG1-CG2 3.5Å; V100-C150 PolarHBondContact N-O 3.26Å; V100-C150 VanDerWaalsContact N-O 3.11Å; V100-C150 PolarHBondContact O-N 3.48Å
101S69.7Low73Confident39 Ų3947.3 Ų47.327%0.27326%0.255SS..EExtended strand (participates in β ladder)trans-106.2124.8164.557.50000108.9Q147 V148 N149S101-Q147 PolarHBondContact OG-NE2 3.1Å; S101-V148 WeakPolarHBondContact CA-O 3.42Å; S101-N149 WeakPolarHBondContact CB-OD1 3.3Å
102V70.2Confident73.4Confident17 Ų1747.6 Ų47.610%0.10326%0.256CS..EExtended strand (participates in β ladder)trans-122.9137.6-176.5-175.30000109.4V100 I104 Q147 V148 F198V100-V102 HydrophobicContact CG1-CG2 3.5Å; V100-V102 VanDerWaalsContact CG1-CG2 3.5Å; V102-I104 HydrophobicContact CB-CG1 4.43Å; V102-I104 HydrophobicContact CG1-CG1 4.05Å; V102-Q147 WeakPolarHBondContact O-CA 3.46Å; V102-V148 PolarHBondContact N-O 3.3Å; V102-V148 PolarHBondContact O-N 2.91Å; V102-F198 HydrophobicContact CG2-CD2 3.73Å; V102-F198 HydrophobicContact CG2-CE2 3.81Å; V102-F198 HydrophobicContact CG2-CG 4.35Å; V102-F198 HydrophobicContact CG2-CZ 4.49Å
103N74.3Confident73.7Confident101 Ų10147 Ų4754%0.5425%0.25SS..EExtended strand (participates in β ladder)trans-84.7120.9169.4-69.1-8.7000108.7Q147N103-Q147 WeakPolarHBondContact OD1-CB 3.46Å; N103-Q147 WeakPolarHBondContact OD1-CG 3.37Å
104I77Confident73.4Confident5 Ų546.6 Ų46.63%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-118.8128.4-179.1-56.3176.6000107.9I89 V102 I106 V146 V148 F177 F198I89-I104 HydrophobicContact CD1-CD1 3.66Å; V102-I104 HydrophobicContact CB-CG1 4.43Å; V102-I104 HydrophobicContact CG1-CG1 4.05Å; I104-I106 HydrophobicContact CG2-CG1 4.16Å; I104-V146 PolarHBondContact N-O 3.24Å; I104-V146 PolarHBondContact O-N 3.11Å; I104-V148 HydrophobicContact CD1-CB 4.27Å; I104-V148 HydrophobicContact CD1-CG2 4.13Å; I104-F177 HydrophobicContact CG2-CB 4.13Å; I104-F177 HydrophobicContact CG2-CD1 3.85Å; I104-F177 HydrophobicContact CG2-CG 4.48Å; I104-F198 HydrophobicContact CD1-CE1 4.16Å; I104-F198 HydrophobicContact CD1-CZ 4.47Å
105N81.8Confident73Confident30 Ų3052.5 Ų52.516%0.1627%0.267CS..EExtended strand (participates in β ladder)trans-88.2130.5171.5-64.629.2000107.9T145 Y178 E180N105-T145 HydrophobicContact CB-CG2 4.25Å; N105-T145 WeakPolarHBondContact OD1-CG2 3.25Å; N105-Y178 HydrophobicContact CB-CD2 4.19Å; N105-Y178 PolarHBondContact N-O 3.48Å; N105-Y178 PolarHBondContact O-N 3.02Å; N105-E180 VanDerWaalsContact ND2-CD 3.25Å; N105-E180 WeakPolarHBondContact ND2-CG 3.38Å; N105-E180 PolarHBondContact ND2-OE1 3.48Å
106I83.4Confident72.6Confident4 Ų445.6 Ų45.62%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-122.5127.8-175-50.6155.5000107I104 I108 N143 R144 V146 L158 L160 V175 K176 F177I104-I106 HydrophobicContact CG2-CG1 4.16Å; I106-I108 HydrophobicContact CG2-CD1 4.21Å; I106-I108 HydrophobicContact CG2-CG1 3.84Å; I106-N143 CarbonylContact O-C 3.56Å; I106-N143 VanDerWaalsContact O-CA 3.31Å; I106-N143 WeakPolarHBondContact O-CA 3.12Å; I106-R144 PolarHBondContact N-O 3.1Å; I106-R144 PolarHBondContact O-N 3.45Å; I106-V146 HydrophobicContact CD1-CB 4.15Å; I106-V146 HydrophobicContact CD1-CG2 3.93Å; I106-L158 HydrophobicContact CD1-CD1 3.97Å; I106-L158 HydrophobicContact CD1-CD2 3.47Å; I106-L158 VanDerWaalsContact CD1-CD2 3.47Å; I106-L158 HydrophobicContact CD1-CG 4.14Å; I106-L158 HydrophobicContact CG1-CD2 4.4Å; I106-L160 HydrophobicContact CD1-CD2 4.32Å; I106-L160 HydrophobicContact CG2-CD2 4.06Å; I106-V175 HydrophobicContact CG2-CG1 3.89Å; I106-K176 CarbonylContact C-O 3.57Å; I106-K176 WeakPolarHBondContact CA-O 3.48Å; I106-F177 HydrophobicContact CG1-CD1 3.93Å; I106-F177 HydrophobicContact CG1-CE1 4.13Å; I106-F177 HydrophobicContact CG2-CD1 4.33Å; I106-F177 HydrophobicContact CG2-CE1 4.2Å
107S85.4Confident72Confident5 Ų542.6 Ų42.64%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-111.1127.3165710000110.6H142 N143 V175 K176 Y178S107-H142 CarbonylContact C-O 3.33Å; S107-H142 VanDerWaalsContact CA-O 3.31Å; S107-H142 WeakPolarHBondContact CA-O 3.21Å; S107-N143 WeakPolarHBondContact CB-OD1 3.42Å; S107-V175 CarbonylContact O-C 3.6Å; S107-V175 WeakPolarHBondContact O-CA 3.46Å; S107-K176 PolarHBondContact N-O 3.28Å; S107-K176 PolarHBondContact O-N 2.87Å; S107-K176 VanDerWaalsContact OG-CB 3.29Å; S107-K176 WeakPolarHBondContact OG-CB 3.4Å; S107-K176 WeakPolarHBondContact OG-CD 3.33Å; S107-K176 WeakPolarHBondContact OG-CG 3.49Å; S107-Y178 WeakPolarHBondContact OG-CE2 3.19Å; S107-Y178 PolarHBondContact OG-OH 3.3Å
108I85.2Confident71.1Confident4 Ų443.1 Ų43.12%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-116.5125-178.5-55.3168000108.4I106 H142 L160 F161 V175 V341I106-I108 HydrophobicContact CG2-CD1 4.21Å; I106-I108 HydrophobicContact CG2-CG1 3.84Å; I108-H142 PolarHBondContact N-O 3.41Å; I108-H142 PolarHBondContact O-N 3.36Å; I108-L160 HydrophobicContact CD1-CB 3.77Å; I108-L160 HydrophobicContact CD1-CD2 4.15Å; I108-L160 WeakPolarHBondContact CD1-O 3.47Å; I108-F161 HydrophobicContact CG2-CD2 4.11Å; I108-V175 HydrophobicContact CG1-CG1 4.46Å; I108-V341 HydrophobicContact CD1-CG2 4.38Å
109Q85.3Confident70.1Confident23 Ų2345.4 Ų45.411%0.10728%0.276CS..EExtended strand (participates in β ladder)trans-122.5123.7174.6-179.9-172.911.600108.8Q111 Q137 I141 R174Q109-Q111 HydrophobicContact CG-CG 4.26Å; Q109-Q137 HydrophobicContact CG-CG 4.11Å; Q109-I141 HydrophobicContact CB-CG1 4.38Å; Q109-I141 HydrophobicContact CG-CG1 4.29Å; Q109-R174 HydrophobicContact CB-CB 4.25Å; Q109-R174 PolarHBondContact N-O 3.38Å; Q109-R174 PolarHBondContact O-N 3.33Å
110V84.4Confident68.6Low1 Ų143 Ų431%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-98.2136.1176.6-171.40000109.7M138 F161 Y171 F173V110-M138 HydrophobicContact CB-CB 4.32Å; V110-M138 HydrophobicContact CG1-CB 4.24Å; V110-M138 PolarHBondContact O-N 2.66Å; V110-F161 HydrophobicContact CG2-CD1 4.49Å; V110-F161 HydrophobicContact CG2-CD2 4.07Å; V110-F161 HydrophobicContact CG2-CE1 4.01Å; V110-F161 HydrophobicContact CG2-CE2 3.54Å; V110-F161 HydrophobicContact CG2-CZ 3.52Å; V110-Y171 HydrophobicContact CG1-CD1 4.06Å; V110-F173 HydrophobicContact CB-CE1 4.42Å; V110-F173 HydrophobicContact CG1-CD1 4.4Å; V110-F173 HydrophobicContact CG1-CE1 4.02Å; V110-F173 HydrophobicContact CG1-CZ 4.41Å; V110-F173 HydrophobicContact CG2-CD1 3.71Å; V110-F173 HydrophobicContact CG2-CE1 3.59Å
111Q85.4Confident66.9Low18 Ų1853.1 Ų53.18%0.08431%0.309CS..EExtended strand (participates in β ladder)trans-135.5145.4-176.2-69.2-178.3-11.700109.9Q109 V135 V136 K172Q109-Q111 HydrophobicContact CG-CG 4.26Å; Q111-V135 HydrophobicContact CB-CB 4.13Å; Q111-V136 CarbonylContact C-O 3.54Å; Q111-V136 VanDerWaalsContact CA-O 3.3Å; Q111-V136 WeakPolarHBondContact CA-O 3.34Å; Q111-K172 HydrophobicContact CB-CB 4.09Å; Q111-K172 PolarHBondContact N-O 2.8Å; Q111-K172 PolarHBondContact O-N 2.91Å
112I81.8Confident65.5Low12 Ų1253.9 Ų53.96%0.06231%0.314CS..EExtended strand (participates in β ladder)trans-120.8134.6178.7-57.3155.5000108.6Y114 A116 V135 V136 M138 F168 Y171I112-Y114 PolarHBondContact O-N 2.84Å; I112-A116 HydrophobicContact CG2-CB 4Å; I112-V135 CarbonylContact O-C 3.54Å; I112-V135 VanDerWaalsContact O-CA 3.28Å; I112-V135 WeakPolarHBondContact O-CA 3.32Å; I112-V136 PolarHBondContact N-O 3.13Å; I112-V136 PolarHBondContact O-N 2.9Å; I112-M138 HydrophobicContact CD1-CB 3.86Å; I112-M138 HydrophobicContact CD1-CG 3.98Å; I112-M138 HydrophobicContact CD1-SD 3.71Å; I112-M138 HydrophobicContact CG1-CB 4.31Å; I112-M138 HydrophobicContact CG1-SD 4.37Å; I112-F168 HydrophobicContact CD1-CD2 3.44Å; I112-F168 VanDerWaalsContact CD1-CD2 3.44Å; I112-F168 HydrophobicContact CD1-CE1 4.38Å; I112-F168 HydrophobicContact CD1-CE2 3.29Å; I112-F168 HydrophobicContact CD1-CG 4.09Å; I112-F168 HydrophobicContact CD1-CZ 3.8Å; I112-F168 HydrophobicContact CG1-CD2 4.02Å; I112-F168 HydrophobicContact CG1-CE2 4.35Å; I112-F168 HydrophobicContact CG1-CG 4.34Å; I112-F168 HydrophobicContact CG2-CB 4.17Å; I112-F168 HydrophobicContact CG2-CD1 3.82Å; I112-F168 HydrophobicContact CG2-CD2 4.31Å; I112-F168 HydrophobicContact CG2-CE1 4.29Å; I112-F168 HydrophobicContact CG2-CG 3.82Å; I112-Y171 HydrophobicContact CG1-CD1 4.24Å; I112-Y171 HydrophobicContact CG1-CE1 4.38Å
113P75.7Confident64Low15 Ų1557.7 Ų57.710%0.09735%0.347CS..EExtended strand (participates in β ladder)trans-65.7132.2172.726.9-32000110.9L115 A116 I170P113-L115 PolarHBondContact O-N 2.99Å; P113-A116 WeakPolarHBondContact O-CB 3.21Å; P113-A116 PolarHBondContact O-N 2.93Å; P113-I170 VanDerWaalsContact CD-O 3.29Å; P113-I170 WeakPolarHBondContact CD-O 3.4Å; P113-I170 HydrophobicContact CG-CB 4.32Å
114Y63Low62.2Low92 Ų9261 Ų6136%0.36136%0.361SS..G310 helixtrans-56.3-18.8-178.4-172.5-100.6000114.5I112 A116 T117 S120 P134 V136I112-Y114 PolarHBondContact O-N 2.84Å; Y114-A116 PolarHBondContact O-N 2.69Å; Y114-T117 PolarHBondContact O-N 3.48Å; Y114-T117 PolarHBondContact O-OG1 3.41Å; Y114-S120 WeakPolarHBondContact OH-CB 3.41Å; Y114-S120 PolarHBondContact OH-OG 3.09Å; Y114-P134 VanDerWaalsContact CB-O 3.24Å; Y114-P134 WeakPolarHBondContact CB-O 3.31Å; Y114-P134 HydrophobicContact CD1-CG 4.34Å; Y114-P134 HydrophobicContact CG-CB 4.5Å; Y114-P134 HydrophobicContact CG-CG 4.19Å; Y114-P134 PolarHBondContact N-O 3.28Å; Y114-V136 HydrophobicContact CD2-CG2 4.24Å
115L58Low60.5Low151 Ų15166.7 Ų66.779%0.79139%0.386SS*.G310 helixtrans-68.1-16.8174.6-75.7150.3000113.5P113P113-L115 PolarHBondContact O-N 2.99Å
116A51.9Low58.7Low32 Ų3275 Ų7526%0.26442%0.421SS..G310 helixtrans-87.2-11.3179.300000113.6I112 P113 Y114 F168I112-A116 HydrophobicContact CG2-CB 4Å; P113-A116 WeakPolarHBondContact O-CB 3.21Å; P113-A116 PolarHBondContact O-N 2.93Å; Y114-A116 PolarHBondContact O-N 2.69Å; A116-F168 HydrophobicContact CB-CD1 3.89Å
117T48.4Very low56.9Low61 Ų6180.1 Ų80.137%0.37446%0.457SS..SBendtrans-88.6112.6172.942.40000110.1Y114 G119 F168Y114-T117 PolarHBondContact O-N 3.48Å; Y114-T117 PolarHBondContact O-OG1 3.41Å; T117-G119 PolarHBondContact O-N 2.92Å; T117-F168 HydrophobicContact CG2-CE1 4.39Å
118A37.5Very low54.7Low112 Ų11284.4 Ų84.493%0.92648%0.479SS*.THydrogen-bonded Turntrans-49.6126.6177.400000112.2
119G38.1Very low52.9Low80 Ų8090.4 Ų90.483%0.82552%0.519SS*.THydrogen-bonded Turntrans121.1-8.2157.300000118.8T117T117-G119 PolarHBondContact O-N 2.92Å
120S33.6Very low50.9Low68 Ų6896.3 Ų96.348%0.47655%0.551SS.*  trans-99.7119-177.2-156.80000113.2Y114 S122Y114-S120 WeakPolarHBondContact OH-CB 3.41Å; Y114-S120 PolarHBondContact OH-OG 3.09Å; S120-S122 PolarHBondContact O-N 3.11Å
121R35.6Very low48.9Very low246 Ų246101 Ų10193%0.92857%0.569SS**  trans-64.249.5177.5-65178.1179.6165.3-0.6114.2A123R121-A123 PolarHBondContact O-N 3.29Å
122S38.6Very low47.3Very low55 Ų55109.3 Ų109.339%0.38561%0.605SS.*  trans-9828.4-176.8-155.60000114.4S120 M124S120-S122 PolarHBondContact O-N 3.11Å; S122-M124 PolarHBondContact O-N 3.09Å; S122-M124 VanDerWaalsContact O-N 3.12Å
123A39.2Very low46Very low96 Ų96111.6 Ų111.679%0.79362%0.62SS**THydrogen-bonded Turntrans-71.88.1172.700000114.1R121R121-A123 PolarHBondContact O-N 3.29Å
124M36Very low45.3Very low171 Ų171113.6 Ų113.684%0.84263%0.633SS**THydrogen-bonded Turntrans-107.419.7-174.8-158.5174.413600114.5S122S122-M124 PolarHBondContact O-N 3.09Å; S122-M124 VanDerWaalsContact O-N 3.12Å
125F42.9Very low45.5Very low124 Ų124111.9 Ų111.954%0.54463%0.631SS.*  trans-130.770.5173.1-100-93.9000110.1Y131F125-Y131 HydrophobicContact CB-CE1 4.37Å; F125-Y131 HydrophobicContact CB-CE2 4.34Å; F125-Y131 HydrophobicContact CD1-CD2 4.1Å; F125-Y131 AromaticContact CD1-CE2 3.9Å; F125-Y131 HydrophobicContact CD1-CE2 3.9Å; F125-Y131 HydrophobicContact CG-CE2 4.31Å
126K42.9Very low46.1Very low206 Ų206108.2 Ų108.290%0.89662%0.615SS**  trans-113.612.1176.7-97.1-171.9177.8-178.20113.7
127S45.1Very low47.2Very low111 Ų111110.6 Ų110.678%0.77662%0.621SS**SBendtrans-112.212-170.358.10000115.8
128D40.1Very low48.2Very low94 Ų94110.6 Ų110.650%0.50362%0.617SS.*  trans-126.7113.3-179.2-157.9-11.9000110.9N130 Y131D128-N130 PolarHBondContact O-N 3.07Å; D128-N130 VanDerWaalsContact O-N 3.1Å; D128-Y131 WeakPolarHBondContact O-CB 3.15Å; D128-Y131 PolarHBondContact O-N 2.98Å
129P48.2Very low49.8Very low131 Ų131107.5 Ų107.585%0.85160%0.596SS**THydrogen-bonded Turntrans-66.3-8.3-17825.3-32.7000113.8
130N43.2Very low51.7Low147 Ų147107.8 Ų107.879%0.78658%0.584SS**THydrogen-bonded Turntrans-103.26.3173.1-92.3-23.2000114.1D128 K132D128-N130 PolarHBondContact O-N 3.07Å; D128-N130 VanDerWaalsContact O-N 3.1Å; N130-K132 PolarHBondContact O-N 3.06Å
131Y40.9Very low54Low99 Ų99108.6 Ų108.639%0.38858%0.582SS.*  trans-72.498.4179-166.8-101.6000110.9F125 D128 T133F125-Y131 HydrophobicContact CB-CE1 4.37Å; F125-Y131 HydrophobicContact CB-CE2 4.34Å; F125-Y131 HydrophobicContact CD1-CD2 4.1Å; F125-Y131 AromaticContact CD1-CE2 3.9Å; F125-Y131 HydrophobicContact CD1-CE2 3.9Å; F125-Y131 HydrophobicContact CG-CE2 4.31Å; D128-Y131 WeakPolarHBondContact O-CB 3.15Å; D128-Y131 PolarHBondContact O-N 2.98Å; Y131-T133 PolarHBondContact O-N 2.87Å
132K53Low56.1Low192 Ų19298.2 Ų98.284%0.83554%0.544SS*.PPolyproline II helixtrans-63.6118.2169-68.8178.6-179.41740107.9N130 P134N130-K132 PolarHBondContact O-N 3.06Å; K132-P134 VanDerWaalsContact O-N 3.13Å
133T54.9Low58.2Low61 Ų61101.4 Ų101.437%0.37456%0.557SS.*PPolyproline II helixtrans-49122.3172.453.30000108.7Y131 V135Y131-T133 PolarHBondContact O-N 2.87Å; T133-V135 PolarHBondContact O-N 3.4Å; T133-V135 VanDerWaalsContact O-N 3.15Å
134P59.8Low60Low57 Ų5798.9 Ų98.937%0.3753%0.527SS..PPolyproline II helixtrans-57.6126.9178.216.8-24.8000108.2Y114 K132Y114-P134 VanDerWaalsContact CB-O 3.24Å; Y114-P134 WeakPolarHBondContact CB-O 3.31Å; Y114-P134 HydrophobicContact CD1-CG 4.34Å; Y114-P134 HydrophobicContact CG-CB 4.5Å; Y114-P134 HydrophobicContact CG-CG 4.19Å; Y114-P134 PolarHBondContact N-O 3.28Å; K132-P134 VanDerWaalsContact O-N 3.13Å
135V67.9Low62Low55 Ų5595 Ų9533%0.33351%0.513SS..EExtended strand (participates in β ladder)trans-115132.8179.2-76.40000108.4Q111 I112 T133 K172Q111-V135 HydrophobicContact CB-CB 4.13Å; I112-V135 CarbonylContact O-C 3.54Å; I112-V135 VanDerWaalsContact O-CA 3.28Å; I112-V135 WeakPolarHBondContact O-CA 3.32Å; T133-V135 PolarHBondContact O-N 3.4Å; T133-V135 VanDerWaalsContact O-N 3.15Å; V135-K172 HydrophobicContact CG1-CD 4.05Å
136V69.9Low63.6Low74 Ų7490.4 Ų90.445%0.44849%0.494SS..EExtended strand (participates in β ladder)trans-97.6127.2175.5-177.70000107.5Q111 I112 Y114 M138Q111-V136 CarbonylContact C-O 3.54Å; Q111-V136 VanDerWaalsContact CA-O 3.3Å; Q111-V136 WeakPolarHBondContact CA-O 3.34Å; I112-V136 PolarHBondContact N-O 3.13Å; I112-V136 PolarHBondContact O-N 2.9Å; Y114-V136 HydrophobicContact CD2-CG2 4.24Å; V136-M138 PolarHBondContact O-N 2.83Å
137Q74.6Confident65.2Low83 Ų8386.3 Ų86.339%0.38848%0.479SS..EExtended strand (participates in β ladder)trans-69.6126.2174.4-178.8176.8-41.600109.6Q109 G139Q109-Q137 HydrophobicContact CG-CG 4.11Å; Q137-G139 WeakPolarHBondContact CG-O 3.49Å; Q137-G139 PolarHBondContact NE2-O 3.44Å
138M70.5Confident66.5Low60 Ų6081.2 Ų81.230%0.29644%0.443SS..EExtended strand (participates in β ladder)trans-93.3108.6174.5-168.2-178.8-17300108.5V110 I112 V136 L163 F168 Y171V110-M138 HydrophobicContact CB-CB 4.32Å; V110-M138 HydrophobicContact CG1-CB 4.24Å; V110-M138 PolarHBondContact O-N 2.66Å; I112-M138 HydrophobicContact CD1-CB 3.86Å; I112-M138 HydrophobicContact CD1-CG 3.98Å; I112-M138 HydrophobicContact CD1-SD 3.71Å; I112-M138 HydrophobicContact CG1-CB 4.31Å; I112-M138 HydrophobicContact CG1-SD 4.37Å; V136-M138 PolarHBondContact O-N 2.83Å; M138-L163 HydrophobicContact CE-CD1 4.39Å; M138-F168 HydrophobicContact CE-CE2 4.36Å; M138-Y171 HydrophobicContact SD-CD1 4.36Å; M138-Y171 HydrophobicContact SD-CE1 3.82Å
139G71.4Confident68.3Low47 Ų4779.9 Ų79.949%0.48544%0.436SS..EExtended strand (participates in β ladder)trans73.3-175.2175.300000115.5Q137Q137-G139 WeakPolarHBondContact CG-O 3.49Å; Q137-G139 PolarHBondContact NE2-O 3.44Å
140P78.1Confident69.6Low87 Ų8773.7 Ų73.757%0.56540%0.396SS*.EExtended strand (participates in β ladder)trans-69.5163.6178.729.1-33.1000111.9H142P140-H142 PolarHBondContact O-CE1 3.06Å; P140-H142 PolarHBondContact O-ND1 2.98Å
141I80.3Confident71Confident85 Ų8567.6 Ų67.644%0.43636%0.364SS..EExtended strand (participates in β ladder)trans-77.2125.5168.2-59.2174.8000107.1Q109Q109-I141 HydrophobicContact CB-CG1 4.38Å; Q109-I141 HydrophobicContact CG-CG1 4.29Å
142H81.3Confident72.7Confident27 Ų2765.5 Ų65.513%0.12536%0.36CS..EExtended strand (participates in β ladder)trans-97.5123.6-177.9-62.672.8000109.4S107 I108 P140 P340 V341S107-H142 CarbonylContact C-O 3.33Å; S107-H142 VanDerWaalsContact CA-O 3.31Å; S107-H142 WeakPolarHBondContact CA-O 3.21Å; I108-H142 PolarHBondContact N-O 3.41Å; I108-H142 PolarHBondContact O-N 3.36Å; P140-H142 PolarHBondContact O-CE1 3.06Å; P140-H142 PolarHBondContact O-ND1 2.98Å; H142-P340 WeakPolarHBondContact NE2-CD 3.37Å; H142-V341 HydrophobicContact CB-CB 4.19Å; H142-V341 HydrophobicContact CB-CG2 3.41Å; H142-V341 VanDerWaalsContact CB-CG2 3.41Å
143N82.5Confident73.9Confident123 Ų12359.4 Ų59.466%0.65834%0.338SS*.EExtended strand (participates in β ladder)trans-112.8128178.5-65.3-22.4000109.3I106 S107I106-N143 CarbonylContact O-C 3.56Å; I106-N143 VanDerWaalsContact O-CA 3.31Å; I106-N143 WeakPolarHBondContact O-CA 3.12Å; S107-N143 WeakPolarHBondContact CB-OD1 3.42Å
144R76.3Confident75Confident43 Ų4362.5 Ų62.516%0.16235%0.347CS..EExtended strand (participates in β ladder)trans-138.5135.5179.2-168.6-177.4-177.2-167-0.9110.7I106 V146 V341 D343 E346I106-R144 PolarHBondContact N-O 3.1Å; I106-R144 PolarHBondContact O-N 3.45Å; R144-V146 HydrophobicContact CB-CG2 4.48Å; R144-V146 HydrophobicContact CG-CG2 3.69Å; R144-V341 HydrophobicContact CB-CG1 4.25Å; R144-D343 IonicContact CZ-OD2 3.26Å; R144-D343 IonicContact NH1-OD2 3.15Å; R144-D343 PolarHBondContact NH1-OD2 3.11Å; R144-D343 IonicContact NH2-OD2 3.87Å; R144-D343 PolarHBondContact NH2-OD2 3Å; R144-E346 IonicContact CZ-OE2 3Å; R144-E346 IonicContact NE-OE2 3.81Å; R144-E346 IonicContact NH2-OE2 3.48Å; R144-E346 PolarHBondContact NH2-OE2 2.91Å; R144-E346 VanDerWaalsContact NH2-OE2 3.17Å
145T79Confident76Confident90 Ų9060.1 Ų60.155%0.55233%0.331SS*.EExtended strand (participates in β ladder)trans-94.7119.2168.813.20000109.1N105N105-T145 HydrophobicContact CB-CG2 4.25Å; N105-T145 WeakPolarHBondContact OD1-CG2 3.25Å
146V75.1Confident76.5Confident26 Ų2659.4 Ų59.416%0.15833%0.326CS..EExtended strand (participates in β ladder)trans-125.2136.3179.4-175.50000110.2I104 I106 R144 V148 L158I104-V146 PolarHBondContact N-O 3.24Å; I104-V146 PolarHBondContact O-N 3.11Å; I106-V146 HydrophobicContact CD1-CB 4.15Å; I106-V146 HydrophobicContact CD1-CG2 3.93Å; R144-V146 HydrophobicContact CB-CG2 4.48Å; R144-V146 HydrophobicContact CG-CG2 3.69Å; V146-V148 HydrophobicContact CG1-CG2 4.3Å; V146-L158 HydrophobicContact CB-CD1 3.88Å; V146-L158 HydrophobicContact CG1-CD1 3.57Å; V146-L158 HydrophobicContact CG2-CD1 4.05Å
147Q76.1Confident76.8Confident120 Ų12060.7 Ų60.756%0.56133%0.327SS*.EExtended strand (participates in β ladder)trans-84113.1169.7-172.1174.715.100109.2S101 V102 N103S101-Q147 PolarHBondContact OG-NE2 3.1Å; V102-Q147 WeakPolarHBondContact O-CA 3.46Å; N103-Q147 WeakPolarHBondContact OD1-CB 3.46Å; N103-Q147 WeakPolarHBondContact OD1-CG 3.37Å
148V73.6Confident77Confident5 Ų557.1 Ų57.13%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-104.3128.2-179.8-178.30000109.3S101 V102 I104 V146 C155 L158S101-V148 WeakPolarHBondContact CA-O 3.42Å; V102-V148 PolarHBondContact N-O 3.3Å; V102-V148 PolarHBondContact O-N 2.91Å; I104-V148 HydrophobicContact CD1-CB 4.27Å; I104-V148 HydrophobicContact CD1-CG2 4.13Å; V146-V148 HydrophobicContact CG1-CG2 4.3Å; V148-C155 HydrophobicContact CG1-CB 3.64Å; V148-L158 HydrophobicContact CG2-CD1 4.22Å; V148-L158 HydrophobicContact CG2-CD2 4.24Å
149N77.3Confident77.5Confident65 Ų6556 Ų5635%0.34830%0.304SS..EExtended strand (participates in β ladder)trans-89.8129.7173.2-66.1-31.4000109.6S101 D156S101-N149 WeakPolarHBondContact CB-OD1 3.3Å; N149-D156 WeakPolarHBondContact CB-OD2 3.03Å; N149-D156 PolarHBondContact O-N 3.41Å
150C76.4Confident77.9Confident2 Ų253.8 Ų53.81%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-121.592.5178.5-54.40000108.7V100 C155V100-C150 PolarHBondContact N-O 3.26Å; V100-C150 VanDerWaalsContact N-O 3.11Å; V100-C150 PolarHBondContact O-N 3.48Å; C150-C155 HydrophobicContact CB-CB 4.02Å; C150-C155 WeakPolarHBondContact CB-SG 3.41Å; C150-C155 WeakPolarHBondContact SG-CB 3.4Å; C150-C155 CovalentContact SG-SG 2.04Å; C150-C155 PolarHBondContact SG-SG 3.36Å
151P72.7Confident78Confident19 Ų1950 Ų5012%0.12326%0.256CS..SBendtrans-64-44.8-178.624.6-34.5000112.1K154 M422P151-K154 WeakPolarHBondContact CD-O 3.41Å; P151-M422 HydrophobicContact CB-SD 4.37Å; P151-M422 HydrophobicContact CG-CE 3.92Å; P151-M422 HydrophobicContact CG-SD 3.73Å
152D76.2Confident78Confident55 Ų5546.2 Ų46.229%0.29424%0.236SC..SBendtrans-131.3-131.8-176.4-65.3-47.4000110.1R91R91-D152 PolarHBondContact NE-O 3.06Å; R91-D152 PolarHBondContact NH2-O 2.86Å
153T78.2Confident77.9Confident63 Ų6345.7 Ų45.739%0.38723%0.234SC..SBendtrans-80.2-17.4174.452.70000113.2N90 R91 P93N90-T153 WeakPolarHBondContact CA-O 3.38Å; R91-T153 WeakPolarHBondContact CG-O 3.39Å; R91-T153 PolarHBondContact N-O 2.77Å; P93-T153 HydrophobicContact CB-CG2 4.08Å
154K78.6Confident77.6Confident126 Ų12641.8 Ų41.855%0.54821%0.213SC..BIsolated β-bridgetrans-107.5133.4175.1-58.4-161.8172.2-173.30110N90 P151N90-K154 WeakPolarHBondContact OD1-CG 3.45Å; P151-K154 WeakPolarHBondContact CD-O 3.41Å
155C79.9Confident77.5Confident7 Ų740.7 Ų40.75%0.04721%0.211CC..PPolyproline II helixtrans-85.8161173-58.60000111.9I89 V148 C150I89-C155 HydrophobicContact CB-CB 4.13Å; I89-C155 WeakPolarHBondContact O-CB 3.35Å; I89-C155 PolarHBondContact O-N 3.44Å; I89-C155 PolarHBondContact O-SG 3.36Å; I89-C155 VanDerWaalsContact O-SG 3.37Å; V148-C155 HydrophobicContact CG1-CB 3.64Å; C150-C155 HydrophobicContact CB-CB 4.02Å; C150-C155 WeakPolarHBondContact CB-SG 3.41Å; C150-C155 WeakPolarHBondContact SG-CB 3.4Å; C150-C155 CovalentContact SG-SG 2.04Å; C150-C155 PolarHBondContact SG-SG 3.36Å
156D78.6Confident77.4Confident40 Ų4036.5 Ų36.521%0.21419%0.186CC..PPolyproline II helixtrans-59.3148172.2-68.6-7.7000110.1N149 L158 M422N149-D156 WeakPolarHBondContact CB-OD2 3.03Å; N149-D156 PolarHBondContact O-N 3.41Å; D156-L158 PolarHBondContact O-N 3.15Å; D156-M422 WeakPolarHBondContact OD1-CE 3.43Å
157E76.4Confident77.5Confident101 Ų10138.6 Ų38.647%0.47220%0.196SC..PPolyproline II helixtrans-61.3128.9-179.8-175.3178.3171.600110.7S86 I88S86-E157 WeakPolarHBondContact CB-OE1 3.44Å; S86-E157 PolarHBondContact OG-OE1 3.39Å; I88-E157 HydrophobicContact CG1-CB 4.36Å; I88-E157 HydrophobicContact CG1-CG 4.42Å
158L79.2Confident77.6Confident9 Ų935.1 Ų35.15%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-107.7113.5-177.817263.9000109.2S86 A87 I89 I106 V146 V148 D156 L160 F177S86-L158 CarbonylContact C-O 3.37Å; S86-L158 VanDerWaalsContact CA-O 3.24Å; S86-L158 WeakPolarHBondContact CA-O 3.08Å; A87-L158 PolarHBondContact N-O 3.1Å; A87-L158 WeakPolarHBondContact O-CB 3.47Å; A87-L158 PolarHBondContact O-N 3.36Å; I89-L158 HydrophobicContact CD1-CD2 4.4Å; I106-L158 HydrophobicContact CD1-CD1 3.97Å; I106-L158 HydrophobicContact CD1-CD2 3.47Å; I106-L158 VanDerWaalsContact CD1-CD2 3.47Å; I106-L158 HydrophobicContact CD1-CG 4.14Å; I106-L158 HydrophobicContact CG1-CD2 4.4Å; V146-L158 HydrophobicContact CB-CD1 3.88Å; V146-L158 HydrophobicContact CG1-CD1 3.57Å; V146-L158 HydrophobicContact CG2-CD1 4.05Å; V148-L158 HydrophobicContact CG2-CD1 4.22Å; V148-L158 HydrophobicContact CG2-CD2 4.24Å; D156-L158 PolarHBondContact O-N 3.15Å; L158-L160 HydrophobicContact CD2-CD2 3.87Å; L158-L160 HydrophobicContact CG-CD2 3.88Å; L158-L160 PolarHBondContact O-N 2.96Å; L158-F177 HydrophobicContact CD2-CE1 4.04Å
159F79.3Confident78.1Confident35 Ų3538.6 Ų38.615%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-68.8127.9171.8173.5-108000110.3W84 F161 H162 D343W84-F159 HydrophobicContact CE3-CD2 4.16Å; W84-F159 AromaticContact CE3-CE2 3.52Å; W84-F159 HydrophobicContact CE3-CE2 3.52Å; W84-F159 HydrophobicContact CE3-CZ 4.25Å; W84-F159 AromaticContact CZ3-CE2 3.92Å; W84-F159 HydrophobicContact CZ3-CE2 3.92Å; W84-F159 HydrophobicContact CZ3-CZ 4.25Å; F159-F161 WeakPolarHBondContact CE2-O 3.32Å; F159-H162 HydrophobicContact CE2-CB 3.84Å; F159-H162 HydrophobicContact CZ-CB 3.49Å; F159-H162 VanDerWaalsContact CZ-CB 3.49Å; F159-D343 HydrophobicContact CD1-CB 4.41Å
160L80.6Confident78.5Confident2 Ų238.1 Ų38.11%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-108.8-50.3-176.4-63.7-179.5000112.1L85 A87 I106 I108 L158 V175 F205L85-L160 HydrophobicContact CD2-CB 4.39Å; L85-L160 HydrophobicContact CD2-CD1 4.33Å; L85-L160 HydrophobicContact CG-CB 4.14Å; L85-L160 HydrophobicContact CG-CD1 4.13Å; L85-L160 WeakPolarHBondContact O-CA 3.32Å; L85-L160 WeakPolarHBondContact O-CB 3.37Å; L85-L160 PolarHBondContact O-N 3.36Å; A87-L160 HydrophobicContact CB-CD1 3.61Å; A87-L160 HydrophobicContact CB-CG 4.16Å; I106-L160 HydrophobicContact CD1-CD2 4.32Å; I106-L160 HydrophobicContact CG2-CD2 4.06Å; I108-L160 HydrophobicContact CD1-CB 3.77Å; I108-L160 HydrophobicContact CD1-CD2 4.15Å; I108-L160 WeakPolarHBondContact CD1-O 3.47Å; L158-L160 HydrophobicContact CD2-CD2 3.87Å; L158-L160 HydrophobicContact CG-CD2 3.88Å; L158-L160 PolarHBondContact O-N 2.96Å; L160-V175 HydrophobicContact CD1-CG1 4.28Å; L160-V175 HydrophobicContact CD1-CG2 4.23Å; L160-F205 HydrophobicContact CD1-CD1 3.96Å; L160-F205 HydrophobicContact CD1-CE1 3.79Å
161F81.1Confident79Confident8 Ų838 Ų384%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-156.7142.2-168.5-163-90.8000111.5L85 I108 V110 F159 L163 F173 P340 V341L85-F161 HydrophobicContact CB-CB 4.16Å; L85-F161 HydrophobicContact CD2-CB 4.46Å; L85-F161 PolarHBondContact N-O 3.24Å; L85-F161 PolarHBondContact O-N 3.38Å; L85-F161 VanDerWaalsContact O-N 3.12Å; I108-F161 HydrophobicContact CG2-CD2 4.11Å; V110-F161 HydrophobicContact CG2-CD1 4.49Å; V110-F161 HydrophobicContact CG2-CD2 4.07Å; V110-F161 HydrophobicContact CG2-CE1 4.01Å; V110-F161 HydrophobicContact CG2-CE2 3.54Å; V110-F161 HydrophobicContact CG2-CZ 3.52Å; F159-F161 WeakPolarHBondContact CE2-O 3.32Å; F161-L163 HydrophobicContact CD1-CB 4.42Å; F161-L163 HydrophobicContact CE1-CB 4.02Å; F161-L163 HydrophobicContact CE1-CD1 4.09Å; F161-F173 HydrophobicContact CB-CE1 4.32Å; F161-F173 AromaticContact CD1-CE1 3.65Å; F161-F173 HydrophobicContact CD1-CE1 3.65Å; F161-F173 HydrophobicContact CD1-CZ 4.28Å; F161-F173 HydrophobicContact CE1-CE1 4.08Å; F161-F173 AromaticContact CG-CE1 3.98Å; F161-F173 HydrophobicContact CG-CE1 3.98Å; F161-P340 HydrophobicContact CD2-CB 4.19Å; F161-P340 HydrophobicContact CD2-CG 4.3Å; F161-P340 HydrophobicContact CE1-CB 3.92Å; F161-P340 HydrophobicContact CE1-CG 4.43Å; F161-P340 HydrophobicContact CE2-CB 3.53Å; F161-P340 HydrophobicContact CE2-CG 3.34Å; F161-P340 HydrophobicContact CZ-CB 3.36Å; F161-P340 HydrophobicContact CZ-CG 3.42Å; F161-P340 VanDerWaalsContact CZ-CG 3.42Å; F161-V341 HydrophobicContact CD2-CG2 3.79Å; F161-V341 HydrophobicContact CE2-CG2 4.26Å
162H79.9Confident79.7Confident5 Ų539.3 Ų39.32%0.02320%0.2CC..EExtended strand (participates in β ladder)trans-129.9137.7171.2173.6-129.4000110.5E82 L83 W84 F159 I164 E336 P340E82-H162 IonicContact OE2-NE2 3.49Å; E82-H162 PolarHBondContact OE2-NE2 3.38Å; L83-H162 CarbonylContact O-C 3.5Å; L83-H162 WeakPolarHBondContact O-CA 3.27Å; W84-H162 HydrophobicContact CD2-CB 4.43Å; W84-H162 AromaticContact CD2-CD2 3.31Å; W84-H162 AromaticContact CD2-NE2 3.82Å; W84-H162 AromaticContact CE2-CD2 3.25Å; W84-H162 AromaticContact CE2-NE2 3.21Å; W84-H162 HydrophobicContact CE3-CB 3.93Å; W84-H162 AromaticContact CE3-CD2 3.61Å; W84-H162 AromaticContact CE3-CG 3.89Å; W84-H162 AromaticContact CG-CD2 3.86Å; W84-H162 AromaticContact CH2-CD2 3.71Å; W84-H162 AromaticContact CH2-CE1 3.57Å; W84-H162 AromaticContact CH2-CG 3.91Å; W84-H162 AromaticContact CH2-ND1 3.9Å; W84-H162 AromaticContact CH2-NE2 3.5Å; W84-H162 AromaticContact CZ2-CD2 3.48Å; W84-H162 VanDerWaalsContact CZ2-CD2 3.48Å; W84-H162 WeakPolarHBondContact CZ2-CD2 3.45Å; W84-H162 AromaticContact CZ2-CE1 3.55Å; W84-H162 AromaticContact CZ2-NE2 3.05Å; W84-H162 WeakPolarHBondContact CZ2-NE2 3.24Å; W84-H162 HydrophobicContact CZ3-CB 3.99Å; W84-H162 AromaticContact CZ3-CD2 3.78Å; W84-H162 AromaticContact CZ3-CG 3.79Å; W84-H162 AromaticContact NE1-CD2 3.78Å; W84-H162 AromaticContact NE1-NE2 3.7Å; F159-H162 HydrophobicContact CE2-CB 3.84Å; F159-H162 HydrophobicContact CZ-CB 3.49Å; F159-H162 VanDerWaalsContact CZ-CB 3.49Å; H162-I164 WeakPolarHBondContact CE1-CD1 3.4Å; H162-I164 VanDerWaalsContact CE1-CG1 3.41Å; H162-I164 WeakPolarHBondContact CE1-CG1 3.43Å; H162-I164 WeakPolarHBondContact NE2-CD1 3.47Å; H162-I164 WeakPolarHBondContact NE2-CG1 3.32Å; H162-E336 IonicContact CE1-OE1 2.98Å; H162-E336 PolarHBondContact CE1-OE1 3.07Å; H162-E336 IonicContact ND1-OE1 3.28Å; H162-E336 PolarHBondContact ND1-OE1 3.03Å; H162-P340 PolarHBondContact N-O 3.38Å; H162-P340 VanDerWaalsContact O-CB 3.25Å; H162-P340 WeakPolarHBondContact O-CB 3.23Å
163L79.7Confident80.2Confident15 Ų1536.8 Ų36.88%0.07919%0.187CC..EExtended strand (participates in β ladder)trans-126.3121.1-177.3-171.571.6000110.7E82 L83 M138 F161 Y171E82-L163 WeakPolarHBondContact CA-O 3.29Å; L83-L163 HydrophobicContact CB-CB 4.26Å; L83-L163 PolarHBondContact N-O 3.15Å; L83-L163 PolarHBondContact O-N 3.32Å; M138-L163 HydrophobicContact CE-CD1 4.39Å; F161-L163 HydrophobicContact CD1-CB 4.42Å; F161-L163 HydrophobicContact CE1-CB 4.02Å; F161-L163 HydrophobicContact CE1-CD1 4.09Å; L163-Y171 HydrophobicContact CD2-CD1 4.05Å; L163-Y171 HydrophobicContact CD2-CD2 4.37Å; L163-Y171 HydrophobicContact CD2-CE1 3.42Å; L163-Y171 VanDerWaalsContact CD2-CE1 3.42Å; L163-Y171 HydrophobicContact CD2-CE2 3.82Å; L163-Y171 HydrophobicContact CD2-CG 4.48Å; L163-Y171 WeakPolarHBondContact CD2-OH 3.42Å
164I75.6Confident80.6Confident42 Ų4237 Ų3722%0.21518%0.18CC..SBendtrans-136.2124.6168.5-57.7-176.7000108.6E82 H162E82-I164 HydrophobicContact CB-CD1 4.2Å; E82-I164 HydrophobicContact CB-CG1 3.78Å; H162-I164 WeakPolarHBondContact CE1-CD1 3.4Å; H162-I164 VanDerWaalsContact CE1-CG1 3.41Å; H162-I164 WeakPolarHBondContact CE1-CG1 3.43Å; H162-I164 WeakPolarHBondContact NE2-CD1 3.47Å; H162-I164 WeakPolarHBondContact NE2-CG1 3.32Å
165P73.4Confident81Confident20 Ų2031 Ų3113%0.1315%0.154CC..SBendcis-84.9170.5-6.434.8-34.9000113.4
166V78.3Confident81.2Confident2 Ų233.7 Ų33.71%0.01217%0.165CC..  trans-88.4103.5171.5-175.80000109.8L76 H80 L83 Y171L76-V166 HydrophobicContact CB-CG1 3.74Å; L76-V166 HydrophobicContact CD1-CG1 3.63Å; L76-V166 HydrophobicContact CG-CG1 4.25Å; H80-V166 WeakPolarHBondContact O-CB 3.33Å; H80-V166 WeakPolarHBondContact O-CG2 3.45Å; L83-V166 HydrophobicContact CB-CG2 4.07Å; V166-Y171 HydrophobicContact CG1-CE2 3.91Å
167D75.6Confident81.3Confident70 Ų7032.1 Ų32.137%0.37416%0.156SC..  trans-96.6-27.3-175.5-65.7-32.7000114Y171D167-Y171 PolarHBondContact N-OH 2.89Å
168F80.1Confident81.2Confident47 Ų4731.3 Ų31.321%0.20615%0.15CC..SBendtrans-115.7154.4-173.3-58.5-78.5000111.8I112 A116 T117 M138 Y171I112-F168 HydrophobicContact CD1-CD2 3.44Å; I112-F168 VanDerWaalsContact CD1-CD2 3.44Å; I112-F168 HydrophobicContact CD1-CE1 4.38Å; I112-F168 HydrophobicContact CD1-CE2 3.29Å; I112-F168 HydrophobicContact CD1-CG 4.09Å; I112-F168 HydrophobicContact CD1-CZ 3.8Å; I112-F168 HydrophobicContact CG1-CD2 4.02Å; I112-F168 HydrophobicContact CG1-CE2 4.35Å; I112-F168 HydrophobicContact CG1-CG 4.34Å; I112-F168 HydrophobicContact CG2-CB 4.17Å; I112-F168 HydrophobicContact CG2-CD1 3.82Å; I112-F168 HydrophobicContact CG2-CD2 4.31Å; I112-F168 HydrophobicContact CG2-CE1 4.29Å; I112-F168 HydrophobicContact CG2-CG 3.82Å; A116-F168 HydrophobicContact CB-CD1 3.89Å; T117-F168 HydrophobicContact CG2-CE1 4.39Å; M138-F168 HydrophobicContact CE-CE2 4.36Å; F168-Y171 HydrophobicContact CB-CE1 4.19Å; F168-Y171 HydrophobicContact CB-CE2 3.94Å; F168-Y171 AromaticContact CD2-CE1 3.76Å; F168-Y171 HydrophobicContact CD2-CE1 3.76Å; F168-Y171 AromaticContact CD2-CZ 3.78Å; F168-Y171 WeakPolarHBondContact CD2-OH 3.29Å; F168-Y171 HydrophobicContact CG-CE1 4.45Å; F168-Y171 PolarHBondContact N-OH 3.29Å; F168-Y171 VanDerWaalsContact O-CE2 3.23Å; F168-Y171 WeakPolarHBondContact O-CE2 3.3Å
169T83.9Confident80.3Confident78 Ų7835.5 Ų35.548%0.47917%0.169SC..SBendtrans-74-30.8-178.553.50000113.4S75 L76S75-T169 CarbonylContact C-O 3.47Å; S75-T169 WeakPolarHBondContact CA-O 3.41Å; L76-T169 PolarHBondContact N-O 3.05Å; L76-T169 VanDerWaalsContact O-CA 3.26Å; L76-T169 WeakPolarHBondContact O-CA 3.35Å
170I85.7Confident78.9Confident54 Ų5439.4 Ų39.428%0.27719%0.188SC..  trans-141.1129.4-178.4-58176000108.6P113P113-I170 VanDerWaalsContact CD-O 3.29Å; P113-I170 WeakPolarHBondContact CD-O 3.4Å; P113-I170 HydrophobicContact CG-CB 4.32Å
171Y85.8Confident77Confident0 Ų045.8 Ų45.80%022%0.221CC..  trans-112.1137.9171.2-65.9-92.4000109.5D72 S73 L76 L83 V110 I112 M138 L163 V166 D167 F168D72-Y171 CarbonylContact C-O 3.55Å; S73-Y171 WeakPolarHBondContact CB-O 3.31Å; S73-Y171 PolarHBondContact N-O 3.34Å; S73-Y171 PolarHBondContact OG-N 3.47Å; S73-Y171 PolarHBondContact OG-O 3.36Å; L76-Y171 HydrophobicContact CD1-CD2 4.1Å; L76-Y171 HydrophobicContact CD1-CE2 4.26Å; L83-Y171 HydrophobicContact CD2-CD2 4.29Å; V110-Y171 HydrophobicContact CG1-CD1 4.06Å; I112-Y171 HydrophobicContact CG1-CD1 4.24Å; I112-Y171 HydrophobicContact CG1-CE1 4.38Å; M138-Y171 HydrophobicContact SD-CD1 4.36Å; M138-Y171 HydrophobicContact SD-CE1 3.82Å; L163-Y171 HydrophobicContact CD2-CD1 4.05Å; L163-Y171 HydrophobicContact CD2-CD2 4.37Å; L163-Y171 HydrophobicContact CD2-CE1 3.42Å; L163-Y171 VanDerWaalsContact CD2-CE1 3.42Å; L163-Y171 HydrophobicContact CD2-CE2 3.82Å; L163-Y171 HydrophobicContact CD2-CG 4.48Å; L163-Y171 WeakPolarHBondContact CD2-OH 3.42Å; V166-Y171 HydrophobicContact CG1-CE2 3.91Å; D167-Y171 PolarHBondContact N-OH 2.89Å; F168-Y171 HydrophobicContact CB-CE1 4.19Å; F168-Y171 HydrophobicContact CB-CE2 3.94Å; F168-Y171 AromaticContact CD2-CE1 3.76Å; F168-Y171 HydrophobicContact CD2-CE1 3.76Å; F168-Y171 AromaticContact CD2-CZ 3.78Å; F168-Y171 WeakPolarHBondContact CD2-OH 3.29Å; F168-Y171 HydrophobicContact CG-CE1 4.45Å; F168-Y171 PolarHBondContact N-OH 3.29Å; F168-Y171 VanDerWaalsContact O-CE2 3.23Å; F168-Y171 WeakPolarHBondContact O-CE2 3.3Å
172K87.4Confident74.8Confident46 Ų4648.4 Ų48.420%0.224%0.239CC..EExtended strand (participates in β ladder)trans-109.4118.3175.2-57.2-160.7169.9-174.70109.4D72 Q111 V135D72-K172 WeakPolarHBondContact OD1-CD 3.19Å; D72-K172 WeakPolarHBondContact OD1-CG 3.33Å; D72-K172 IonicContact OD2-NZ 3.35Å; Q111-K172 HydrophobicContact CB-CB 4.09Å; Q111-K172 PolarHBondContact N-O 2.8Å; Q111-K172 PolarHBondContact O-N 2.91Å; V135-K172 HydrophobicContact CG1-CD 4.05Å
173F86.8Confident72.6Confident2 Ų255.7 Ų55.71%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-101.7123.2179-63.9-89.5000109.6Q70 V71 L83 L85 V110 F161 V175 F207Q70-F173 WeakPolarHBondContact CA-O 3.24Å; V71-F173 PolarHBondContact N-O 3.02Å; V71-F173 PolarHBondContact O-N 2.89Å; L83-F173 HydrophobicContact CD2-CE2 4.11Å; L83-F173 HydrophobicContact CD2-CZ 3.99Å; L85-F173 HydrophobicContact CD2-CB 3.93Å; L85-F173 HydrophobicContact CD2-CD1 3.57Å; L85-F173 HydrophobicContact CD2-CD2 4.06Å; L85-F173 HydrophobicContact CD2-CE1 4.07Å; L85-F173 HydrophobicContact CD2-CE2 4.49Å; L85-F173 HydrophobicContact CD2-CG 3.57Å; L85-F173 HydrophobicContact CD2-CZ 4.5Å; V110-F173 HydrophobicContact CB-CE1 4.42Å; V110-F173 HydrophobicContact CG1-CD1 4.4Å; V110-F173 HydrophobicContact CG1-CE1 4.02Å; V110-F173 HydrophobicContact CG1-CZ 4.41Å; V110-F173 HydrophobicContact CG2-CD1 3.71Å; V110-F173 HydrophobicContact CG2-CE1 3.59Å; F161-F173 HydrophobicContact CB-CE1 4.32Å; F161-F173 AromaticContact CD1-CE1 3.65Å; F161-F173 HydrophobicContact CD1-CE1 3.65Å; F161-F173 HydrophobicContact CD1-CZ 4.28Å; F161-F173 HydrophobicContact CE1-CE1 4.08Å; F161-F173 AromaticContact CG-CE1 3.98Å; F161-F173 HydrophobicContact CG-CE1 3.98Å; F173-V175 HydrophobicContact CB-CG2 4.44Å; F173-F207 AromaticContact CD2-CE1 3.72Å; F173-F207 HydrophobicContact CD2-CE1 3.72Å; F173-F207 HydrophobicContact CD2-CZ 4.04Å; F173-F207 AromaticContact CE2-CE1 3.65Å; F173-F207 HydrophobicContact CE2-CE1 3.65Å; F173-F207 HydrophobicContact CE2-CZ 4.4Å
174R87.1Confident70.1Confident68 Ų6861.3 Ų61.326%0.25731%0.308SS..EExtended strand (participates in β ladder)trans-105.5105.3169.4-178.1-175.9-66177.4-5.8108.5V68 Y69 Q70 Q109V68-R174 HydrophobicContact CG1-CG 3.77Å; Y69-R174 CarbonylContact O-C 3.58Å; Y69-R174 WeakPolarHBondContact O-CA 3.4Å; Q70-R174 HydrophobicContact CG-CB 4.41Å; Q70-R174 HydrophobicContact CG-CG 4.23Å; Q70-R174 VanDerWaalsContact NE2-NH2 3.17Å; Q109-R174 HydrophobicContact CB-CB 4.25Å; Q109-R174 PolarHBondContact N-O 3.38Å; Q109-R174 PolarHBondContact O-N 3.33Å
175V85.9Confident68.1Low0 Ų066.9 Ų66.90%033%0.333CS..EExtended strand (participates in β ladder)trans-105.5126.8-178.5-174.40000108.5Y69 I106 S107 I108 L160 F173 F177 F205Y69-V175 PolarHBondContact N-O 3.39Å; Y69-V175 PolarHBondContact O-N 3.3Å; I106-V175 HydrophobicContact CG2-CG1 3.89Å; S107-V175 CarbonylContact O-C 3.6Å; S107-V175 WeakPolarHBondContact O-CA 3.46Å; I108-V175 HydrophobicContact CG1-CG1 4.46Å; L160-V175 HydrophobicContact CD1-CG1 4.28Å; L160-V175 HydrophobicContact CD1-CG2 4.23Å; F173-V175 HydrophobicContact CB-CG2 4.44Å; V175-F177 HydrophobicContact CG1-CD2 4.36Å; V175-F177 HydrophobicContact CG1-CE1 4.2Å; V175-F177 HydrophobicContact CG1-CE2 3.75Å; V175-F177 HydrophobicContact CG1-CZ 3.66Å; V175-F205 HydrophobicContact CB-CE1 4.18Å; V175-F205 HydrophobicContact CB-CZ 4.34Å; V175-F205 HydrophobicContact CG1-CE1 4.4Å; V175-F205 HydrophobicContact CG2-CE1 3.96Å
176K84.5Confident66.2Low63 Ų6372 Ų7227%0.27436%0.358SS..EExtended strand (participates in β ladder)trans-117.2129.9173.6-45-178.5170.1176.30109.1S67 V68 I106 S107 Y178S67-K176 WeakPolarHBondContact O-CA 3.45Å; V68-K176 HydrophobicContact CB-CG 4.31Å; V68-K176 HydrophobicContact CG1-CG 4.07Å; V68-K176 HydrophobicContact CG2-CB 4.44Å; V68-K176 HydrophobicContact CG2-CD 3.95Å; V68-K176 HydrophobicContact CG2-CG 3.83Å; I106-K176 CarbonylContact C-O 3.57Å; I106-K176 WeakPolarHBondContact CA-O 3.48Å; S107-K176 PolarHBondContact N-O 3.28Å; S107-K176 PolarHBondContact O-N 2.87Å; S107-K176 VanDerWaalsContact OG-CB 3.29Å; S107-K176 WeakPolarHBondContact OG-CB 3.4Å; S107-K176 WeakPolarHBondContact OG-CD 3.33Å; S107-K176 WeakPolarHBondContact OG-CG 3.49Å; K176-Y178 HydrophobicContact CB-CE2 4.01Å; K176-Y178 WeakPolarHBondContact CD-OH 3Å
177F80.5Confident63.9Low7 Ų776.2 Ų76.23%0.03138%0.384CS..EExtended strand (participates in β ladder)trans-101.6120170.7-58-84.5000108.3S67 Y69 I89 I104 I106 L158 V175 I200 V203 F205S67-F177 PolarHBondContact N-O 3.3Å; S67-F177 PolarHBondContact O-N 2.82Å; Y69-F177 AromaticContact CD2-CD2 3.59Å; Y69-F177 HydrophobicContact CD2-CD2 3.59Å; Y69-F177 AromaticContact CD2-CE2 3.59Å; Y69-F177 HydrophobicContact CD2-CE2 3.59Å; Y69-F177 AromaticContact CE2-CD2 3.56Å; Y69-F177 HydrophobicContact CE2-CD2 3.56Å; Y69-F177 AromaticContact CE2-CE2 3.82Å; Y69-F177 HydrophobicContact CE2-CE2 3.82Å; I89-F177 HydrophobicContact CD1-CD1 4.36Å; I89-F177 HydrophobicContact CD1-CE1 4.12Å; I104-F177 HydrophobicContact CG2-CB 4.13Å; I104-F177 HydrophobicContact CG2-CD1 3.85Å; I104-F177 HydrophobicContact CG2-CG 4.48Å; I106-F177 HydrophobicContact CG1-CD1 3.93Å; I106-F177 HydrophobicContact CG1-CE1 4.13Å; I106-F177 HydrophobicContact CG2-CD1 4.33Å; I106-F177 HydrophobicContact CG2-CE1 4.2Å; L158-F177 HydrophobicContact CD2-CE1 4.04Å; V175-F177 HydrophobicContact CG1-CD2 4.36Å; V175-F177 HydrophobicContact CG1-CE1 4.2Å; V175-F177 HydrophobicContact CG1-CE2 3.75Å; V175-F177 HydrophobicContact CG1-CZ 3.66Å; F177-I200 HydrophobicContact CB-CD1 4.48Å; F177-V203 HydrophobicContact CE2-CG1 4.23Å; F177-V203 HydrophobicContact CE2-CG2 4.1Å; F177-V203 HydrophobicContact CZ-CG1 4.23Å; F177-F205 HydrophobicContact CE2-CZ 4.34Å
178Y74.3Confident62.2Low84 Ų8480.7 Ų80.733%0.32940%0.397SS..EExtended strand (participates in β ladder)trans-102.2134.9169-43.1-96.5000108.5A66 N105 S107 K176A66-Y178 HydrophobicContact CB-CD1 3.73Å; A66-Y178 HydrophobicContact CB-CE1 3.77Å; N105-Y178 HydrophobicContact CB-CD2 4.19Å; N105-Y178 PolarHBondContact N-O 3.48Å; N105-Y178 PolarHBondContact O-N 3.02Å; S107-Y178 WeakPolarHBondContact OG-CE2 3.19Å; S107-Y178 PolarHBondContact OG-OH 3.3Å; K176-Y178 HydrophobicContact CB-CE2 4.01Å; K176-Y178 WeakPolarHBondContact CD-OH 3Å
179H61.6Low59.8Low97 Ų9786.8 Ų86.845%0.44942%0.424SS..  trans-92.9114.8161.6-164-70.6000105.8L181H179-L181 PolarHBondContact O-N 3.1Å; H179-L181 VanDerWaalsContact O-N 3.09Å
180E48.9Very low57.7Low118 Ų11885.3 Ų85.355%0.55141%0.413SS*.  trans-65.5112163.1-76.9-177.9173.200106.2N105 P182N105-E180 VanDerWaalsContact ND2-CD 3.25Å; N105-E180 WeakPolarHBondContact ND2-CG 3.38Å; N105-E180 PolarHBondContact ND2-OE1 3.48Å; E180-P182 WeakPolarHBondContact O-CD 3.23Å
181L40.4Very low55.5Low135 Ų13594.1 Ų94.171%0.70744%0.444SS*.  trans-73.1108.5151.2-8199.5000104.1H179 N183H179-L181 PolarHBondContact O-N 3.1Å; H179-L181 VanDerWaalsContact O-N 3.09Å; L181-N183 PolarHBondContact O-N 3.29Å
182P36.6Very low53.4Low63 Ų63101.2 Ų101.241%0.40948%0.477SS..  trans-63.2113.4172.224-25.8000105.8E180 D184 L186E180-P182 WeakPolarHBondContact O-CD 3.23Å; P182-D184 PolarHBondContact O-N 2.98Å; P182-L186 HydrophobicContact CG-CB 3.73Å
183N31.8Very low51Low159 Ų159102 Ų10285%0.8550%0.498SS*.SBendtrans-47.2114.3159.5-73-26000106.1L181L181-N183 PolarHBondContact O-N 3.29Å
184D28.8Very low48.5Very low132 Ų132108.1 Ų108.171%0.70653%0.525SS*.SBendtrans62113.2-178.9-77.5-30.3000117.4P182P182-D184 PolarHBondContact O-N 2.98Å
185H32.3Very low46.3Very low159 Ų159112.8 Ų112.874%0.73655%0.549SS*.  trans91.614.7148.9-51.7-45.3000123.1
186L34.2Very low44.6Very low128 Ų128116.7 Ų116.767%0.6757%0.569SS**  trans-109.964161-87.1146.1000111.6P182 Y188P182-L186 HydrophobicContact CG-CB 3.73Å; L186-Y188 PolarHBondContact O-N 3.3Å
187T29.6Very low43Very low90 Ų90120.6 Ų120.655%0.55259%0.593SS**  trans-68.5106.8160.534.20000108.3K189T187-K189 VanDerWaalsContact C-N 3.26Å; T187-K189 PolarHBondContact O-N 2.8Å
188Y39.4Very low42.1Very low164 Ų164122 Ų12264%0.64360%0.599SS**  trans-67.695.5158.2-85.6-87.1000107.2L186 D190L186-Y188 PolarHBondContact O-N 3.3Å; Y188-D190 PolarHBondContact O-N 3.47Å
189K30.6Very low41.6Very low176 Ų176125 Ų12577%0.76561%0.614SS**  trans-73.9104173.5-71.7-177.1178.8179.40108.4T187T187-K189 VanDerWaalsContact C-N 3.26Å; T187-K189 PolarHBondContact O-N 2.8Å
190D38.7Very low41.9Very low47 Ų47122.2 Ų122.225%0.25160%0.602SS.*  trans-69.2155.6149.3-134.9-17.6000108.4Y188 E192 G193 L196Y188-D190 PolarHBondContact O-N 3.47Å; D190-E192 PolarHBondContact O-N 2.92Å; D190-G193 PolarHBondContact O-N 3.24Å; D190-G193 VanDerWaalsContact O-N 3.09Å; D190-L196 HydrophobicContact CB-CD1 4.46Å
191Y39.9Very low42.8Very low239 Ų239120.6 Ų120.694%0.93760%0.6SS**THydrogen-bonded Turntrans-58.1-7.3-175.7-83.4-92.7000114.5
192E43.1Very low44.2Very low148 Ų148115.7 Ų115.769%0.69258%0.577SS**THydrogen-bonded Turntrans-116.29.1-179.3-66.6-169.8159.700115.5D190 K194D190-E192 PolarHBondContact O-N 2.92Å; E192-K194 VanDerWaalsContact C-N 3.25Å; E192-K194 PolarHBondContact O-N 3.34Å; E192-K194 VanDerWaalsContact O-N 3.12Å
193G35.1Very low46.1Very low62 Ų62112.7 Ų112.764%0.63956%0.558SS**  trans65.318.7169.800000116.3D190D190-G193 PolarHBondContact O-N 3.24Å; D190-G193 VanDerWaalsContact O-N 3.09Å
194K34.9Very low48.4Very low132 Ų132106.3 Ų106.357%0.57452%0.523SS*.  trans-88.2133.4173.2-76.5177.5179.1167.90111.5E192 L196E192-K194 VanDerWaalsContact C-N 3.25Å; E192-K194 PolarHBondContact O-N 3.34Å; E192-K194 VanDerWaalsContact O-N 3.12Å; K194-L196 PolarHBondContact O-N 2.86Å
195H41.9Very low50.9Low166 Ų166100 Ų10077%0.76949%0.49SS*.  trans-67.3107.5174-63.5-90.4000110.5L197H195-L197 PolarHBondContact O-N 3.15Å
196L49.4Very low53.2Low81 Ų8193.2 Ų93.242%0.42446%0.458SS..  trans-78.2101.5172.9-68.5160.8000109L94 D190 K194 F198L94-L196 HydrophobicContact CD2-CD2 3.94Å; D190-L196 HydrophobicContact CB-CD1 4.46Å; K194-L196 PolarHBondContact O-N 2.86Å; L196-F198 PolarHBondContact O-N 3.18Å
197L51.7Low55.3Low145 Ų14587.1 Ų87.176%0.75943%0.427SS*.  trans-70.5113.2172.5-76.5152.5000109.4H195 K199H195-L197 PolarHBondContact O-N 3.15Å; L197-K199 VanDerWaalsContact C-N 3.31Å; L197-K199 PolarHBondContact O-N 3.48Å
198F61.7Low57.4Low38 Ų3885.7 Ų85.717%0.16741%0.414CS..  trans-69.388.8170.6-171.7-95.9000109.5I89 R91 V102 I104 L196 I200I89-F198 HydrophobicContact CG2-CE1 4.47Å; I89-F198 HydrophobicContact CG2-CZ 4.49Å; R91-F198 HydrophobicContact CB-CE2 4.37Å; R91-F198 HydrophobicContact CB-CZ 4.41Å; V102-F198 HydrophobicContact CG2-CD2 3.73Å; V102-F198 HydrophobicContact CG2-CE2 3.81Å; V102-F198 HydrophobicContact CG2-CG 4.35Å; V102-F198 HydrophobicContact CG2-CZ 4.49Å; I104-F198 HydrophobicContact CD1-CE1 4.16Å; I104-F198 HydrophobicContact CD1-CZ 4.47Å; L196-F198 PolarHBondContact O-N 3.18Å; F198-I200 HydrophobicContact CD1-CG1 4.13Å; F198-I200 HydrophobicContact CE1-CD1 4.32Å; F198-I200 HydrophobicContact CE1-CG1 3.79Å
199K62.9Low59Low147 Ų14779.7 Ų79.764%0.63939%0.39SS*.  trans-93.5112-179.3-171.1176.5-179.2179.50110.6R91 A92 L197R91-K199 WeakPolarHBondContact CA-O 3.25Å; A92-K199 HydrophobicContact CB-CB 4.28Å; A92-K199 PolarHBondContact N-O 3.44Å; L197-K199 VanDerWaalsContact C-N 3.31Å; L197-K199 PolarHBondContact O-N 3.48Å
200I67.9Low61Low38 Ų3872.2 Ų72.220%0.19536%0.357CS..EExtended strand (participates in β ladder)trans-72.5123.4171.2-58.7174.1000108.5I89 F177 F198 V203I89-I200 HydrophobicContact CG2-CB 4.4Å; I89-I200 HydrophobicContact CG2-CD1 4.16Å; I89-I200 HydrophobicContact CG2-CG1 3.85Å; I89-I200 HydrophobicContact CG2-CG2 3.89Å; F177-I200 HydrophobicContact CB-CD1 4.48Å; F198-I200 HydrophobicContact CD1-CG1 4.13Å; F198-I200 HydrophobicContact CE1-CD1 4.32Å; F198-I200 HydrophobicContact CE1-CG1 3.79Å; I200-V203 HydrophobicContact CG2-CG2 3.74Å
201T67.8Low62.6Low83 Ų8370.8 Ų70.851%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-88.9-44.2177.948.30000111.8N90 A92N90-T201 VanDerWaalsContact C-OG1 3.25Å; N90-T201 PolarHBondContact O-N 3.14Å; N90-T201 PolarHBondContact O-OG1 3.3Å; A92-T201 HydrophobicContact CB-CG2 3.88Å
202S69.3Low63.8Low33 Ų3359.6 Ų59.623%0.23131%0.307CS..EExtended strand (participates in β ladder)trans-157.5158.2176.657.10000109.7N90N90-S202 WeakPolarHBondContact CA-O 3.25Å; N90-S202 WeakPolarHBondContact CB-O 3.26Å; N90-S202 WeakPolarHBondContact CB-OG 3.49Å; N90-S202 PolarHBondContact N-O 3.05Å; N90-S202 PolarHBondContact ND2-OG 3.16Å; N90-S202 PolarHBondContact O-N 2.87Å
203V77Confident64.9Low0 Ų059 Ų590%030%0.304CS..EExtended strand (participates in β ladder)trans-121.7125.2172.5-176.60000107.6S55 Y69 A87 I88 F177 I200 F205S55-V203 WeakPolarHBondContact CB-O 3.2Å; S55-V203 PolarHBondContact N-O 3.07Å; S55-V203 PolarHBondContact OG-N 3.37Å; S55-V203 PolarHBondContact OG-O 3.05Å; S55-V203 VanDerWaalsContact OG-O 3.12Å; Y69-V203 HydrophobicContact CD2-CG2 4.45Å; Y69-V203 HydrophobicContact CE1-CB 4.42Å; Y69-V203 HydrophobicContact CE1-CG2 4.16Å; Y69-V203 HydrophobicContact CE2-CG2 3.82Å; A87-V203 HydrophobicContact CB-CG1 3.8Å; I88-V203 WeakPolarHBondContact O-CA 3.32Å; F177-V203 HydrophobicContact CE2-CG1 4.23Å; F177-V203 HydrophobicContact CE2-CG2 4.1Å; F177-V203 HydrophobicContact CZ-CG1 4.23Å; I200-V203 HydrophobicContact CG2-CG2 3.74Å; V203-F205 HydrophobicContact CB-CE2 3.92Å; V203-F205 HydrophobicContact CB-CZ 4.2Å; V203-F205 HydrophobicContact CG1-CD1 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.15Å; V203-F205 HydrophobicContact CG1-CE1 4.05Å; V203-F205 HydrophobicContact CG1-CE2 3.67Å; V203-F205 HydrophobicContact CG1-CZ 3.62Å
204D80.8Confident66.5Low25 Ų2558.3 Ų58.313%0.13428%0.284CS..EExtended strand (participates in β ladder)trans-97.4113.9174.8-64-34.9000108.3I52 S54 A87 I88 N90I52-D204 HydrophobicContact CG2-CB 4.04Å; S54-D204 WeakPolarHBondContact CA-OD1 3.36Å; S54-D204 WeakPolarHBondContact CB-OD1 3.44Å; S54-D204 PolarHBondContact OG-OD1 3.25Å; A87-D204 CarbonylContact C-O 3.59Å; A87-D204 WeakPolarHBondContact CA-O 3.13Å; I88-D204 HydrophobicContact CB-CB 4.39Å; I88-D204 PolarHBondContact N-O 2.95Å; I88-D204 PolarHBondContact O-N 3.43Å; N90-D204 PolarHBondContact ND2-OD2 3.3Å
205F81.5Confident68.3Low0 Ų053 Ų530%026%0.263CS..EExtended strand (participates in β ladder)trans-90.8132.7177.6-66.4-86.5000110.2I52 V53 Y69 V71 L85 S86 A87 L160 V175 F177 V203I52-F205 CarbonylContact C-O 3.48Å; I52-F205 VanDerWaalsContact CA-O 3.28Å; I52-F205 WeakPolarHBondContact CA-O 3.49Å; V53-F205 PolarHBondContact N-O 3.48Å; V53-F205 PolarHBondContact O-N 2.62Å; Y69-F205 HydrophobicContact CD1-CE2 4.33Å; Y69-F205 HydrophobicContact CD2-CZ 4.47Å; Y69-F205 HydrophobicContact CG-CE2 4.12Å; Y69-F205 HydrophobicContact CG-CZ 4.03Å; V71-F205 HydrophobicContact CB-CD2 4.48Å; V71-F205 HydrophobicContact CB-CG 4.49Å; V71-F205 HydrophobicContact CG1-CB 4.13Å; V71-F205 HydrophobicContact CG1-CD2 4.36Å; V71-F205 HydrophobicContact CG1-CG 4.26Å; V71-F205 HydrophobicContact CG2-CB 4.47Å; V71-F205 HydrophobicContact CG2-CD1 4.12Å; V71-F205 HydrophobicContact CG2-CD2 3.37Å; V71-F205 HydrophobicContact CG2-CE1 4.16Å; V71-F205 HydrophobicContact CG2-CE2 3.42Å; V71-F205 VanDerWaalsContact CG2-CE2 3.42Å; V71-F205 HydrophobicContact CG2-CG 3.72Å; V71-F205 HydrophobicContact CG2-CZ 3.82Å; L85-F205 HydrophobicContact CD1-CB 4.15Å; L85-F205 HydrophobicContact CD1-CD1 4.09Å; S86-F205 CarbonylContact O-C 3.51Å; S86-F205 WeakPolarHBondContact O-CA 2.99Å; A87-F205 HydrophobicContact CB-CD1 4Å; A87-F205 HydrophobicContact CB-CE1 4.08Å; L160-F205 HydrophobicContact CD1-CD1 3.96Å; L160-F205 HydrophobicContact CD1-CE1 3.79Å; V175-F205 HydrophobicContact CB-CE1 4.18Å; V175-F205 HydrophobicContact CB-CZ 4.34Å; V175-F205 HydrophobicContact CG1-CE1 4.4Å; V175-F205 HydrophobicContact CG2-CE1 3.96Å; F177-F205 HydrophobicContact CE2-CZ 4.34Å; V203-F205 HydrophobicContact CB-CE2 3.92Å; V203-F205 HydrophobicContact CB-CZ 4.2Å; V203-F205 HydrophobicContact CG1-CD1 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.15Å; V203-F205 HydrophobicContact CG1-CE1 4.05Å; V203-F205 HydrophobicContact CG1-CE2 3.67Å; V203-F205 HydrophobicContact CG1-CZ 3.62Å
206I79.7Confident70Confident15 Ų1549.1 Ų49.18%0.07724%0.241CC..EExtended strand (participates in β ladder)trans-113.4115.6-179.4-51.5179.4000107.9I52 L85 S86 I88 Q208I52-I206 HydrophobicContact CG1-CG1 4.28Å; L85-I206 WeakPolarHBondContact CA-O 3.28Å; S86-I206 PolarHBondContact N-O 3.12Å; S86-I206 PolarHBondContact O-N 3.18Å; I88-I206 HydrophobicContact CD1-CD1 3.71Å; I88-I206 HydrophobicContact CG1-CD1 4.08Å; I206-Q208 HydrophobicContact CG2-CG 3.98Å
207F77.6Confident71.3Confident0 Ų052.3 Ų52.30%026%0.256CS..EExtended strand (participates in β ladder)trans-95.9124.2169.3-67.7-82.1000109.4S50 V51 V53 V71 P74 L83 W84 L85 F173S50-F207 CarbonylContact C-O 3.59Å; S50-F207 WeakPolarHBondContact CA-O 3.37Å; V51-F207 PolarHBondContact N-O 2.6Å; V51-F207 PolarHBondContact O-N 3.16Å; V53-F207 HydrophobicContact CG2-CD2 4.14Å; V53-F207 HydrophobicContact CG2-CE2 4.04Å; V71-F207 HydrophobicContact CB-CZ 4.33Å; V71-F207 HydrophobicContact CG1-CE2 3.46Å; V71-F207 VanDerWaalsContact CG1-CE2 3.46Å; V71-F207 HydrophobicContact CG1-CZ 3.61Å; P74-F207 HydrophobicContact CG-CB 4.35Å; L83-F207 HydrophobicContact CD1-CB 4.33Å; L83-F207 HydrophobicContact CD1-CD1 3.99Å; L83-F207 HydrophobicContact CG-CD1 4.48Å; W84-F207 CarbonylContact O-C 3.56Å; W84-F207 VanDerWaalsContact O-CA 3.3Å; W84-F207 WeakPolarHBondContact O-CA 3.42Å; L85-F207 HydrophobicContact CB-CD1 4.49Å; L85-F207 HydrophobicContact CB-CE1 4.44Å; L85-F207 HydrophobicContact CD1-CD1 3.92Å; L85-F207 HydrophobicContact CD1-CE1 3.59Å; L85-F207 HydrophobicContact CD1-CE2 4.23Å; L85-F207 HydrophobicContact CD1-CG 4.39Å; L85-F207 HydrophobicContact CD1-CZ 3.77Å; L85-F207 HydrophobicContact CD2-CE1 4.37Å; L85-F207 HydrophobicContact CG-CE1 4.34Å; F173-F207 AromaticContact CD2-CE1 3.72Å; F173-F207 HydrophobicContact CD2-CE1 3.72Å; F173-F207 HydrophobicContact CD2-CZ 4.04Å; F173-F207 AromaticContact CE2-CE1 3.65Å; F173-F207 HydrophobicContact CE2-CE1 3.65Å; F173-F207 HydrophobicContact CE2-CZ 4.4Å
208Q74.2Confident72.8Confident61 Ų6146.4 Ų46.429%0.28523%0.225SC..EExtended strand (participates in β ladder)trans-117134.7172.4-52.9-177.1-4.900110.6N49 L83 W84 I206N49-Q208 VanDerWaalsContact O-CA 3.3Å; N49-Q208 WeakPolarHBondContact O-CA 3.48Å; L83-Q208 WeakPolarHBondContact CA-O 3.48Å; W84-Q208 HydrophobicContact CB-CB 4.15Å; W84-Q208 PolarHBondContact N-O 3.47Å; W84-Q208 PolarHBondContact O-N 3.32Å; I206-Q208 HydrophobicContact CG2-CG 3.98Å
209Y73.8Confident74Confident37 Ų3746 Ų4615%0.14522%0.224CC..EExtended strand (participates in β ladder)trans-141.9144.3179.155.8-94.5000112.5N49 V51 P74 L76 H80 E82N49-Y209 HydrophobicContact CB-CD2 3.99Å; N49-Y209 HydrophobicContact CB-CE1 4.01Å; N49-Y209 HydrophobicContact CB-CE2 3.47Å; N49-Y209 VanDerWaalsContact CB-CE2 3.47Å; N49-Y209 VanDerWaalsContact CB-CZ 3.45Å; N49-Y209 PolarHBondContact N-O 2.9Å; N49-Y209 PolarHBondContact O-N 2.84Å; V51-Y209 HydrophobicContact CG2-CE1 4.07Å; P74-Y209 HydrophobicContact CB-CE1 4.44Å; P74-Y209 HydrophobicContact CG-CD1 4.12Å; P74-Y209 HydrophobicContact CG-CE1 3.78Å; L76-Y209 HydrophobicContact CD2-CD1 3.99Å; L76-Y209 HydrophobicContact CD2-CD2 4.41Å; L76-Y209 HydrophobicContact CD2-CG 3.93Å; H80-Y209 AromaticContact CD2-CD2 3.22Å; H80-Y209 WeakPolarHBondContact CD2-CD2 3.17Å; H80-Y209 AromaticContact CD2-CE2 3.66Å; H80-Y209 AromaticContact NE2-CD2 3.71Å; H80-Y209 AromaticContact NE2-CE2 3.61Å; E82-Y209 WeakPolarHBondContact O-CA 3.39Å; E82-Y209 WeakPolarHBondContact O-CB 3.27Å
210Y72.1Confident75.2Confident19 Ų1943.2 Ų43.28%0.07522%0.219CC..EExtended strand (participates in β ladder)trans-98.6133.8-174.7-170.3-84.1000112.5V47 H80 R81 Y458 F464V47-Y210 HydrophobicContact CB-CE2 4.49Å; V47-Y210 HydrophobicContact CG1-CD2 3.72Å; V47-Y210 HydrophobicContact CG1-CE1 4.42Å; V47-Y210 HydrophobicContact CG1-CE2 3.03Å; V47-Y210 VanDerWaalsContact CG1-CZ 3.43Å; V47-Y210 WeakPolarHBondContact O-CA 3.24Å; H80-Y210 WeakPolarHBondContact CA-O 3.41Å; R81-Y210 HydrophobicContact CG-CD1 4.01Å; R81-Y210 PolarHBondContact N-O 3.13Å; R81-Y210 VanDerWaalsContact N-O 3.15Å; Y210-Y458 HydrophobicContact CE2-CD2 4.12Å; Y210-F464 WeakPolarHBondContact OH-CE2 3.33Å
211T71.2Confident76.2Confident17 Ų1746.1 Ų46.110%0.10424%0.238CC..EExtended strand (participates in β ladder)trans-100.9137-179.6590000113.1N46 V47N46-T211 PolarHBondContact O-OG1 3.45Å; V47-T211 PolarHBondContact O-N 3.19Å; V47-T211 VanDerWaalsContact O-N 3.09Å
212T66.7Low77.3Confident5 Ų542.6 Ų42.63%0.03122%0.216CC..  trans-88.4-4.5-175.152.40000116.4F79 R81 F214 T215 Y263F79-T212 WeakPolarHBondContact O-CG2 3.41Å; F79-T212 PolarHBondContact O-OG1 2.95Å; R81-T212 HydrophobicContact CG-CG2 3.28Å; T212-F214 PolarHBondContact O-N 2.93Å; T212-T215 WeakPolarHBondContact O-CB 3.34Å; T212-T215 PolarHBondContact O-N 3.14Å; T212-Y263 HydrophobicContact CG2-CE1 4.42Å
213E66.2Low78.3Confident134 Ų13446.1 Ų46.163%0.62623%0.227SC*.Hα-helixtrans-58.2-43-161.1-62.3-175.7174.200113.9T215E213-T215 VanDerWaalsContact C-N 3.29Å; E213-T215 PolarHBondContact O-N 3.26Å
214F68.2Low79.1Confident49 Ų4951.2 Ų51.222%0.21525%0.254CS..Hα-helixtrans-66-30.5178.7-69.5-74.9000113.7P45 V47 T212 Y216 M217 E218 F464P45-F214 HydrophobicContact CB-CE2 4.36Å; P45-F214 VanDerWaalsContact CD-CZ 3.44Å; P45-F214 HydrophobicContact CG-CE1 4.49Å; P45-F214 HydrophobicContact CG-CE2 3.54Å; P45-F214 HydrophobicContact CG-CZ 3.48Å; P45-F214 VanDerWaalsContact CG-CZ 3.48Å; V47-F214 HydrophobicContact CG2-CD2 4.48Å; V47-F214 HydrophobicContact CG2-CE2 4.47Å; T212-F214 PolarHBondContact O-N 2.93Å; F214-Y216 VanDerWaalsContact C-N 3.35Å; F214-Y216 PolarHBondContact O-N 2.88Å; F214-M217 PolarHBondContact O-N 3.36Å; F214-E218 WeakPolarHBondContact O-CG 3.31Å; F214-E218 PolarHBondContact O-N 3.44Å; F214-F464 HydrophobicContact CB-CE1 3.99Å
215T73Confident79.7Confident21 Ų2151.5 Ų51.513%0.12926%0.255CS..Hα-helixtrans-67.6-37.6-170.7-54.70000111.5T212 E213 L219 N259T212-T215 WeakPolarHBondContact O-CB 3.34Å; T212-T215 PolarHBondContact O-N 3.14Å; E213-T215 VanDerWaalsContact C-N 3.29Å; E213-T215 PolarHBondContact O-N 3.26Å; T215-L219 WeakPolarHBondContact O-CB 3.04Å; T215-L219 PolarHBondContact O-N 2.96Å; T215-N259 HydrophobicContact CG2-CB 3.71Å; T215-N259 PolarHBondContact O-ND2 3.4Å
216Y76.4Confident80.2Confident83 Ų8353.8 Ų53.833%0.32527%0.265SS..Hα-helixtrans-71.6-42-179.9-72-71.5000112.8F214 E218 L219 V220F214-Y216 VanDerWaalsContact C-N 3.35Å; F214-Y216 PolarHBondContact O-N 2.88Å; Y216-E218 VanDerWaalsContact C-N 3.3Å; Y216-E218 PolarHBondContact O-N 3.45Å; Y216-L219 WeakPolarHBondContact O-CB 3.42Å; Y216-L219 PolarHBondContact O-N 3.48Å; Y216-V220 PolarHBondContact O-N 2.88Å
217M78.4Confident80.9Confident149 Ų14955.9 Ų55.973%0.73428%0.276SS*.Hα-helixtrans-61.4-42.5177.6-67.8-61-174.500111.2F214 V220 V221F214-M217 PolarHBondContact O-N 3.36Å; M217-V220 PolarHBondContact O-N 2.99Å; M217-V221 PolarHBondContact O-N 3.15Å
218E81.5Confident81.7Confident21 Ų2159.9 Ų59.910%0.09829%0.291CS..Hα-helixtrans-67.4-35.5176.2-69.1179.5163.600113.3F214 Y216 V220 V221 K222 N259 Q468F214-E218 WeakPolarHBondContact O-CG 3.31Å; F214-E218 PolarHBondContact O-N 3.44Å; Y216-E218 VanDerWaalsContact C-N 3.3Å; Y216-E218 PolarHBondContact O-N 3.45Å; E218-V220 VanDerWaalsContact C-N 3.28Å; E218-V220 PolarHBondContact O-N 3.5Å; E218-V221 PolarHBondContact O-N 3.08Å; E218-K222 VanDerWaalsContact O-CG 3.24Å; E218-K222 WeakPolarHBondContact O-CG 3.28Å; E218-K222 PolarHBondContact O-N 3.44Å; E218-N259 PolarHBondContact OE2-ND2 3.15Å; E218-Q468 WeakPolarHBondContact OE1-CG 3.46Å; E218-Q468 VanDerWaalsContact OE2-CD 3.24Å; E218-Q468 WeakPolarHBondContact OE2-CG 3.45Å; E218-Q468 PolarHBondContact OE2-NE2 3.09Å
219L87Confident82.5Confident30 Ų3057.2 Ų57.216%0.15728%0.278CS..Hα-helixtrans-58.9-41.8176.9-175.669.2000111.1T215 Y216 K222 F223 M256 N259 P261T215-L219 WeakPolarHBondContact O-CB 3.04Å; T215-L219 PolarHBondContact O-N 2.96Å; Y216-L219 WeakPolarHBondContact O-CB 3.42Å; Y216-L219 PolarHBondContact O-N 3.48Å; L219-K222 PolarHBondContact O-N 3.32Å; L219-F223 WeakPolarHBondContact O-CB 3.31Å; L219-F223 PolarHBondContact O-N 3.26Å; L219-M256 HydrophobicContact CD1-CG 3.65Å; L219-M256 WeakPolarHBondContact CD1-O 3.29Å; L219-N259 HydrophobicContact CD1-CB 4.16Å; L219-P261 HydrophobicContact CD1-CB 4.36Å; L219-P261 HydrophobicContact CD2-CB 4.11Å
220V88.1Confident83.4Confident87 Ų8761.4 Ų61.453%0.52730%0.295SS..Hα-helixtrans-61.9-45.1176.5176.70000111.1Y216 M217 E218 K222 F223 I224Y216-V220 PolarHBondContact O-N 2.88Å; M217-V220 PolarHBondContact O-N 2.99Å; E218-V220 VanDerWaalsContact C-N 3.28Å; E218-V220 PolarHBondContact O-N 3.5Å; V220-K222 PolarHBondContact O-N 2.94Å; V220-F223 PolarHBondContact O-N 3.2Å; V220-I224 HydrophobicContact CG1-CD1 4.08Å; V220-I224 WeakPolarHBondContact O-CG1 3.48Å; V220-I224 PolarHBondContact O-N 3.02Å
221V88.7Confident84.3Confident100 Ų10065.4 Ų65.461%0.60632%0.316SS*.Hα-helixtrans-61.6-43.4178176.30000111.3M217 E218 F223 I224 L225M217-V221 PolarHBondContact O-N 3.15Å; E218-V221 PolarHBondContact O-N 3.08Å; V221-F223 PolarHBondContact O-N 3.35Å; V221-I224 PolarHBondContact O-N 2.83Å; V221-L225 PolarHBondContact O-N 3.08Å
222K91.1Very high85.1Confident9 Ų967.1 Ų67.14%0.03932%0.322CS..Hα-helixtrans-63-41.3177.1-68.6166177.8-160.30112E218 L219 V220 L225 F226 L255 N259 N472E218-K222 VanDerWaalsContact O-CG 3.24Å; E218-K222 WeakPolarHBondContact O-CG 3.28Å; E218-K222 PolarHBondContact O-N 3.44Å; L219-K222 PolarHBondContact O-N 3.32Å; V220-K222 PolarHBondContact O-N 2.94Å; K222-L225 PolarHBondContact O-N 3.31Å; K222-F226 WeakPolarHBondContact O-CB 3.39Å; K222-F226 PolarHBondContact O-N 3.47Å; K222-L255 HydrophobicContact CD-CG 4.13Å; K222-L255 WeakPolarHBondContact CD-O 3.45Å; K222-L255 HydrophobicContact CG-CD2 4.23Å; K222-L255 HydrophobicContact CG-CG 4.2Å; K222-L255 PolarHBondContact NZ-O 2.9Å; K222-N259 PolarHBondContact NZ-ND2 2.87Å; K222-N259 VanDerWaalsContact NZ-ND2 3.19Å; K222-N259 PolarHBondContact NZ-OD1 2.97Å; K222-N472 WeakPolarHBondContact CE-OD1 3.22Å; K222-N472 PolarHBondContact NZ-OD1 2.88Å
223F92Very high86.2Confident107 Ų10767 Ų6747%0.46932%0.321SS..Hα-helixtrans-62.6-45.9177.2-175.8-104.8000111.5L219 V220 V221 L225 F226 I227 M256L219-F223 WeakPolarHBondContact O-CB 3.31Å; L219-F223 PolarHBondContact O-N 3.26Å; V220-F223 PolarHBondContact O-N 3.2Å; V221-F223 PolarHBondContact O-N 3.35Å; F223-L225 VanDerWaalsContact C-N 3.33Å; F223-L225 PolarHBondContact O-N 3.32Å; F223-F226 PolarHBondContact O-N 2.9Å; F223-I227 HydrophobicContact CD1-CG1 4.25Å; F223-I227 HydrophobicContact CD2-CG1 4.48Å; F223-I227 HydrophobicContact CE1-CD1 4.5Å; F223-I227 HydrophobicContact CE1-CG1 3.89Å; F223-I227 HydrophobicContact CE2-CD1 4.19Å; F223-I227 HydrophobicContact CE2-CG1 4.15Å; F223-I227 HydrophobicContact CZ-CD1 3.97Å; F223-I227 HydrophobicContact CZ-CG1 3.84Å; F223-I227 WeakPolarHBondContact O-CG1 3.42Å; F223-I227 PolarHBondContact O-N 3.34Å; F223-M256 HydrophobicContact CD2-SD 3.79Å
224I93.2Very high87.2Confident107 Ų10768 Ų6855%0.54932%0.323SS..Hα-helixtrans-59-45.5176-66.6166.8000110.9V220 V221 F226 I227 W228V220-I224 HydrophobicContact CG1-CD1 4.08Å; V220-I224 WeakPolarHBondContact O-CG1 3.48Å; V220-I224 PolarHBondContact O-N 3.02Å; V221-I224 PolarHBondContact O-N 2.83Å; I224-F226 PolarHBondContact O-N 2.78Å; I224-I227 PolarHBondContact O-N 2.87Å; I224-W228 VanDerWaalsContact O-CB 3.29Å; I224-W228 WeakPolarHBondContact O-CB 3.38Å; I224-W228 PolarHBondContact O-N 3.43Å
225L92.3Very high87.9Confident31 Ų3171 Ų7116%0.16234%0.338CS..Hα-helixtrans-61.2-44.1178.1179.869.6000112.2V221 K222 F223 W228 F229 L252 A476 A479V221-L225 PolarHBondContact O-N 3.08Å; K222-L225 PolarHBondContact O-N 3.31Å; F223-L225 VanDerWaalsContact C-N 3.33Å; F223-L225 PolarHBondContact O-N 3.32Å; L225-W228 HydrophobicContact CD1-CE3 4.08Å; L225-W228 HydrophobicContact CD1-CZ3 4.42Å; L225-W228 PolarHBondContact O-N 2.91Å; L225-F229 WeakPolarHBondContact O-CB 3.48Å; L225-F229 PolarHBondContact O-N 2.89Å; L225-L252 HydrophobicContact CD2-CD2 3.62Å; L225-L252 HydrophobicContact CG-CD2 3.91Å; L225-A476 HydrophobicContact CD1-CB 4.36Å; L225-A476 HydrophobicContact CD2-CB 3.78Å; L225-A479 HydrophobicContact CD1-CB 4.23Å
226F93Very high88.5Confident47 Ų4770.7 Ų70.721%0.20634%0.335CS..Hα-helixtrans-61.5-49.5177.2169.3-113000111.7K222 F223 I224 W228 F229 Y230 L252 P253K222-F226 WeakPolarHBondContact O-CB 3.39Å; K222-F226 PolarHBondContact O-N 3.47Å; F223-F226 PolarHBondContact O-N 2.9Å; I224-F226 PolarHBondContact O-N 2.78Å; F226-W228 VanDerWaalsContact C-N 3.34Å; F226-W228 PolarHBondContact O-N 3Å; F226-F229 PolarHBondContact O-N 3.36Å; F226-Y230 WeakPolarHBondContact O-CB 3.27Å; F226-Y230 PolarHBondContact O-N 3.4Å; F226-L252 HydrophobicContact CB-CB 4.47Å; F226-L252 HydrophobicContact CD2-CB 3.88Å; F226-P253 HydrophobicContact CD2-CG 4.02Å; F226-P253 HydrophobicContact CE2-CG 3.51Å; F226-P253 HydrophobicContact CZ-CG 4.13Å
227I94.3Very high88.9Confident60 Ų6070.7 Ų70.731%0.30834%0.344SS..Hα-helixtrans-62-43.6178.9-65.5-62000110.9F223 I224 F229 Y230 I231F223-I227 HydrophobicContact CD1-CG1 4.25Å; F223-I227 HydrophobicContact CD2-CG1 4.48Å; F223-I227 HydrophobicContact CE1-CD1 4.5Å; F223-I227 HydrophobicContact CE1-CG1 3.89Å; F223-I227 HydrophobicContact CE2-CD1 4.19Å; F223-I227 HydrophobicContact CE2-CG1 4.15Å; F223-I227 HydrophobicContact CZ-CD1 3.97Å; F223-I227 HydrophobicContact CZ-CG1 3.84Å; F223-I227 WeakPolarHBondContact O-CG1 3.42Å; F223-I227 PolarHBondContact O-N 3.34Å; I224-I227 PolarHBondContact O-N 2.87Å; I227-F229 PolarHBondContact O-N 3.47Å; I227-Y230 PolarHBondContact O-N 3.38Å; I227-I231 HydrophobicContact CG2-CD1 3.63Å; I227-I231 HydrophobicContact CG2-CG1 4.28Å; I227-I231 VanDerWaalsContact O-CG1 3.27Å; I227-I231 WeakPolarHBondContact O-CG1 3.32Å; I227-I231 PolarHBondContact O-N 3.38Å
228W93.9Very high89Confident84 Ų8469.4 Ų69.432%0.31834%0.339SS..Hα-helixtrans-57.9-48.8176.6172.377000112.1I224 L225 F226 K232 F480I224-W228 VanDerWaalsContact O-CB 3.29Å; I224-W228 WeakPolarHBondContact O-CB 3.38Å; I224-W228 PolarHBondContact O-N 3.43Å; L225-W228 HydrophobicContact CD1-CE3 4.08Å; L225-W228 HydrophobicContact CD1-CZ3 4.42Å; L225-W228 PolarHBondContact O-N 2.91Å; F226-W228 VanDerWaalsContact C-N 3.34Å; F226-W228 PolarHBondContact O-N 3Å; W228-K232 WeakPolarHBondContact O-CG 3.43Å; W228-K232 PolarHBondContact O-N 3.41Å; W228-F480 HydrophobicContact CH2-CD2 4.18Å
229F92.1Very high89Confident4 Ų475.6 Ų75.62%0.01837%0.373CS..Hα-helixtrans-64.1-43.3178-176.8-98.7000111.7L225 F226 I227 K232 M233 L248 A249 L252 A479L225-F229 WeakPolarHBondContact O-CB 3.48Å; L225-F229 PolarHBondContact O-N 2.89Å; F226-F229 PolarHBondContact O-N 3.36Å; I227-F229 PolarHBondContact O-N 3.47Å; F229-K232 PolarHBondContact O-N 3.02Å; F229-M233 HydrophobicContact CD1-CG 4.04Å; F229-M233 HydrophobicContact CD2-CG 4.37Å; F229-M233 HydrophobicContact CE1-CG 3.61Å; F229-M233 HydrophobicContact CE2-CG 3.94Å; F229-M233 HydrophobicContact CE2-SD 4.24Å; F229-M233 HydrophobicContact CG-CG 4.41Å; F229-M233 HydrophobicContact CZ-CG 3.53Å; F229-M233 HydrophobicContact CZ-SD 4Å; F229-M233 WeakPolarHBondContact O-CG 3.33Å; F229-M233 PolarHBondContact O-N 3.12Å; F229-L248 HydrophobicContact CD2-CD2 3.81Å; F229-L248 HydrophobicContact CE1-CD2 4.08Å; F229-L248 HydrophobicContact CE1-CG 4.32Å; F229-L248 HydrophobicContact CE2-CD2 3.24Å; F229-L248 HydrophobicContact CE2-CG 4.29Å; F229-L248 HydrophobicContact CG-CD2 4.45Å; F229-L248 HydrophobicContact CZ-CB 4.25Å; F229-L248 HydrophobicContact CZ-CD2 3.4Å; F229-L248 HydrophobicContact CZ-CG 4.06Å; F229-A249 HydrophobicContact CE1-CB 4.23Å; F229-L252 HydrophobicContact CB-CD1 3.57Å; F229-L252 HydrophobicContact CD1-CD1 3.45Å; F229-L252 VanDerWaalsContact CD1-CD1 3.45Å; F229-L252 HydrophobicContact CD2-CD1 4.25Å; F229-L252 HydrophobicContact CE1-CD1 4.2Å; F229-L252 HydrophobicContact CG-CD1 3.48Å; F229-L252 VanDerWaalsContact CG-CD1 3.48Å; F229-A479 HydrophobicContact CD2-CB 4.25Å
230Y91.6Very high88.7Confident126 Ų12678.5 Ų78.549%0.49438%0.383SS..Hα-helixtrans-61.8-46179.4-178.3-101.2000112.5F226 I227 K232 M233 K234F226-Y230 WeakPolarHBondContact O-CB 3.27Å; F226-Y230 PolarHBondContact O-N 3.4Å; I227-Y230 PolarHBondContact O-N 3.38Å; Y230-K232 VanDerWaalsContact C-N 3.3Å; Y230-K232 PolarHBondContact O-N 2.95Å; Y230-M233 PolarHBondContact O-N 3.43Å; Y230-K234 HydrophobicContact CE1-CD 4.44Å; Y230-K234 WeakPolarHBondContact O-CB 3.18Å; Y230-K234 PolarHBondContact O-N 3.34Å
231I91.4Very high88.6Confident102 Ų10276.5 Ų76.552%0.52337%0.366SS..Hα-helixtrans-59.8-42.5177.7-69.3168.2000110.8I227I227-I231 HydrophobicContact CG2-CD1 3.63Å; I227-I231 HydrophobicContact CG2-CG1 4.28Å; I227-I231 VanDerWaalsContact O-CG1 3.27Å; I227-I231 WeakPolarHBondContact O-CG1 3.32Å; I227-I231 PolarHBondContact O-N 3.38Å
232K88.6Confident88.4Confident54 Ų5472.2 Ų72.224%0.23534%0.34CS..Hα-helixtrans-65.8-37.2178-75.6-72.4-179.2179.10112.9W228 F229 Y230 N486W228-K232 WeakPolarHBondContact O-CG 3.43Å; W228-K232 PolarHBondContact O-N 3.41Å; F229-K232 PolarHBondContact O-N 3.02Å; Y230-K232 VanDerWaalsContact C-N 3.3Å; Y230-K232 PolarHBondContact O-N 2.95Å; K232-N486 PolarHBondContact NZ-OD1 2.91Å
233M88.5Confident88.1Confident1 Ų172.1 Ų72.11%0.00534%0.34CS..Hα-helixtrans-82.5-26.9-178.1-68.2-58.4-58.900113.6F229 Y230 Q235 F236 W241 Q245 P484F229-M233 HydrophobicContact CD1-CG 4.04Å; F229-M233 HydrophobicContact CD2-CG 4.37Å; F229-M233 HydrophobicContact CE1-CG 3.61Å; F229-M233 HydrophobicContact CE2-CG 3.94Å; F229-M233 HydrophobicContact CE2-SD 4.24Å; F229-M233 HydrophobicContact CG-CG 4.41Å; F229-M233 HydrophobicContact CZ-CG 3.53Å; F229-M233 HydrophobicContact CZ-SD 4Å; F229-M233 WeakPolarHBondContact O-CG 3.33Å; F229-M233 PolarHBondContact O-N 3.12Å; Y230-M233 PolarHBondContact O-N 3.43Å; M233-Q235 PolarHBondContact O-N 3.43Å; M233-F236 PolarHBondContact O-N 2.89Å; M233-W241 HydrophobicContact CB-CH2 3.82Å; M233-W241 HydrophobicContact CB-CZ2 3.7Å; M233-W241 HydrophobicContact CE-CD2 3.49Å; M233-W241 VanDerWaalsContact CE-CD2 3.49Å; M233-W241 VanDerWaalsContact CE-CE2 3.46Å; M233-W241 HydrophobicContact CE-CE3 3.91Å; M233-W241 HydrophobicContact CE-CG 3.89Å; M233-W241 HydrophobicContact CE-CH2 4.26Å; M233-W241 HydrophobicContact CE-CZ2 3.88Å; M233-W241 HydrophobicContact CE-CZ3 4.27Å; M233-Q245 HydrophobicContact CE-CB 3.88Å; M233-Q245 HydrophobicContact CE-CG 3.99Å; M233-Q245 HydrophobicContact SD-CG 4.33Å; M233-P484 HydrophobicContact SD-CG 4.23Å
234K88.2Confident87.9Confident155 Ų15567.7 Ų67.767%0.67432%0.32SS*.THydrogen-bonded Turntrans-56-25.8-178.7-177-178.7175.4-1720113.5Y230 F236Y230-K234 HydrophobicContact CE1-CD 4.44Å; Y230-K234 WeakPolarHBondContact O-CB 3.18Å; Y230-K234 PolarHBondContact O-N 3.34Å; K234-F236 PolarHBondContact O-N 3.48Å
235Q83Confident87.7Confident113 Ų11362.6 Ų62.653%0.52829%0.294SS..THydrogen-bonded Turntrans-67.3-20178.9-66177.7-24.800113.2M233M233-Q235 PolarHBondContact O-N 3.43Å
236F85Confident87.7Confident14 Ų1463.4 Ų63.46%0.06130%0.302CS..SBendtrans-113.2138-173.3-55-76.1000111.5V11 M233 K234 W241 P484 T488 Q489 M492V11-F236 HydrophobicContact CG1-CD1 4.32Å; V11-F236 HydrophobicContact CG1-CD2 4.2Å; V11-F236 HydrophobicContact CG1-CE1 4.43Å; V11-F236 HydrophobicContact CG1-CE2 4.33Å; V11-F236 HydrophobicContact CG1-CG 4.2Å; V11-F236 HydrophobicContact CG1-CZ 4.44Å; V11-F236 HydrophobicContact CG2-CB 3.79Å; V11-F236 HydrophobicContact CG2-CD1 3.9Å; V11-F236 HydrophobicContact CG2-CD2 4.49Å; V11-F236 HydrophobicContact CG2-CG 3.78Å; M233-F236 PolarHBondContact O-N 2.89Å; K234-F236 PolarHBondContact O-N 3.48Å; F236-W241 PolarHBondContact O-NE1 2.91Å; F236-P484 HydrophobicContact CD2-CG 4.3Å; F236-P484 HydrophobicContact CE2-CB 3.93Å; F236-P484 HydrophobicContact CE2-CG 3.65Å; F236-P484 HydrophobicContact CZ-CB 4.31Å; F236-P484 HydrophobicContact CZ-CG 4.47Å; F236-T488 HydrophobicContact CE1-CG2 3.75Å; F236-T488 HydrophobicContact CZ-CG2 3.61Å; F236-Q489 HydrophobicContact CZ-CB 4.47Å; F236-M492 HydrophobicContact CD1-CE 3.69Å; F236-M492 HydrophobicContact CD1-SD 3.43Å; F236-M492 WeakPolarHBondContact CD1-SD 3.47Å; F236-M492 HydrophobicContact CE1-CE 4.14Å; F236-M492 HydrophobicContact CE1-SD 3.45Å; F236-M492 WeakPolarHBondContact CE1-SD 3.26Å
237T84.4Confident87.6Confident84 Ų8461.9 Ų61.952%0.51530%0.297SS..  trans-69.4143.8175.460.10000111.2N239 Y240 W241T237-N239 PolarHBondContact O-N 2.9Å; T237-Y240 PolarHBondContact O-N 3.45Å; T237-Y240 VanDerWaalsContact O-N 3.15Å; T237-Y240 WeakPolarHBondContact OG1-CD2 3.26Å; T237-Y240 WeakPolarHBondContact OG1-CE2 3.38Å; T237-W241 PolarHBondContact O-NE1 3.28Å
238L81.9Confident87.5Confident121 Ų12159.2 Ų59.263%0.63428%0.284SS*.G310 helixtrans-57.1-25.5-174.4-70.7171.8000114.1Y240 W241L238-Y240 PolarHBondContact O-N 3.36Å; L238-W241 HydrophobicContact CD2-CD2 3.73Å; L238-W241 HydrophobicContact CD2-CE3 3.67Å; L238-W241 HydrophobicContact CD2-CH2 3.63Å; L238-W241 HydrophobicContact CD2-CZ2 3.68Å; L238-W241 HydrophobicContact CD2-CZ3 3.62Å; L238-W241 WeakPolarHBondContact O-CB 3.38Å; L238-W241 PolarHBondContact O-N 3.05Å
239N79.8Confident87.4Confident152 Ų15256.7 Ų56.781%0.81328%0.281SS*.G310 helixtrans-65.5-27.1-178.3-68.5-15.6000113T237T237-N239 PolarHBondContact O-N 2.9Å
240Y82.3Confident87.4Confident91 Ų9161 Ų6136%0.35730%0.303SS..G310 helixtrans-94.5-0.2-179.4-59.3-58.1000113.2T9 S10 V11 T237 L238 M492T9-Y240 WeakPolarHBondContact O-CD1 3.41Å; S10-Y240 WeakPolarHBondContact CA-O 3.41Å; V11-Y240 PolarHBondContact N-O 3.32Å; T237-Y240 PolarHBondContact O-N 3.45Å; T237-Y240 VanDerWaalsContact O-N 3.15Å; T237-Y240 WeakPolarHBondContact OG1-CD2 3.26Å; T237-Y240 WeakPolarHBondContact OG1-CE2 3.38Å; L238-Y240 PolarHBondContact O-N 3.36Å; Y240-M492 HydrophobicContact CD2-CE 4.42Å
241W85.2Confident87.5Confident44 Ų4455.1 Ų55.117%0.16728%0.28CS..  trans-74.1139.7-177.8-69.623000111.3M233 F236 T237 L238 C246 A249M233-W241 HydrophobicContact CB-CH2 3.82Å; M233-W241 HydrophobicContact CB-CZ2 3.7Å; M233-W241 HydrophobicContact CE-CD2 3.49Å; M233-W241 VanDerWaalsContact CE-CD2 3.49Å; M233-W241 VanDerWaalsContact CE-CE2 3.46Å; M233-W241 HydrophobicContact CE-CE3 3.91Å; M233-W241 HydrophobicContact CE-CG 3.89Å; M233-W241 HydrophobicContact CE-CH2 4.26Å; M233-W241 HydrophobicContact CE-CZ2 3.88Å; M233-W241 HydrophobicContact CE-CZ3 4.27Å; F236-W241 PolarHBondContact O-NE1 2.91Å; T237-W241 PolarHBondContact O-NE1 3.28Å; L238-W241 HydrophobicContact CD2-CD2 3.73Å; L238-W241 HydrophobicContact CD2-CE3 3.67Å; L238-W241 HydrophobicContact CD2-CH2 3.63Å; L238-W241 HydrophobicContact CD2-CZ2 3.68Å; L238-W241 HydrophobicContact CD2-CZ3 3.62Å; L238-W241 WeakPolarHBondContact O-CB 3.38Å; L238-W241 PolarHBondContact O-N 3.05Å; W241-C246 VanDerWaalsContact CB-SG 3.55Å; W241-A249 HydrophobicContact CZ3-CB 3.82Å
242T84.7Confident87.6Confident10 Ų1050.3 Ų50.36%0.06126%0.255CS..  trans-74.6160.5173.661.60000110.9M13 E244 Q245 C246M13-T242 HydrophobicContact CE-CG2 4.16Å; T242-E244 WeakPolarHBondContact CB-OE2 3.45Å; T242-E244 PolarHBondContact O-N 3.22Å; T242-Q245 PolarHBondContact O-N 3.31Å; T242-Q245 VanDerWaalsContact OG1-CG 3.24Å; T242-Q245 WeakPolarHBondContact OG1-CG 3.18Å; T242-Q245 PolarHBondContact OG1-N 2.99Å; T242-Q245 PolarHBondContact OG1-OE1 2.82Å; T242-C246 PolarHBondContact O-N 3.08Å; T242-C246 PolarHBondContact O-SG 3.48Å; T242-C246 VanDerWaalsContact O-SG 3.38Å
243I85.3Confident87.9Confident8 Ų849.5 Ų49.54%0.04126%0.256CS..Hα-helixtrans-59.1-41177.1-79.7-179.1000110.4Q245 C246 C247 C295 I296 R305 F310 Y311I243-Q245 VanDerWaalsContact C-N 3.32Å; I243-Q245 PolarHBondContact O-N 3.01Å; I243-C246 PolarHBondContact O-N 3.3Å; I243-C247 VanDerWaalsContact O-CB 3.27Å; I243-C247 WeakPolarHBondContact O-CB 3.17Å; I243-C247 PolarHBondContact O-N 3.05Å; I243-C247 PolarHBondContact O-SG 3.33Å; I243-C295 HydrophobicContact CG2-CB 4.49Å; I243-I296 HydrophobicContact CG2-CG1 4.45Å; I243-R305 VanDerWaalsContact CD1-CD 3.46Å; I243-F310 HydrophobicContact CD1-CE1 4.01Å; I243-F310 HydrophobicContact CD1-CZ 4.23Å; I243-Y311 WeakPolarHBondContact CD1-OH 3.29Å
244E86.6Confident88.1Confident13 Ų1350.8 Ų50.86%0.06126%0.262CS..Hα-helixtrans-58.5-45.8-179.2-60.891.7144.300110.5M13 T242 L248 I296 R389 Y482M13-E244 HydrophobicContact SD-CB 4.23Å; T242-E244 WeakPolarHBondContact CB-OE2 3.45Å; T242-E244 PolarHBondContact O-N 3.22Å; E244-L248 VanDerWaalsContact O-CB 3.29Å; E244-L248 WeakPolarHBondContact O-CB 3.09Å; E244-L248 PolarHBondContact O-N 2.85Å; E244-I296 HydrophobicContact CG-CD1 4.39Å; E244-I296 HydrophobicContact CG-CG1 4.25Å; E244-I296 HydrophobicContact CG-CG2 4.09Å; E244-R389 IonicContact OE1-CZ 3.17Å; E244-R389 IonicContact OE1-NH1 2.76Å; E244-R389 PolarHBondContact OE1-NH1 3.47Å; E244-Y482 HydrophobicContact CB-CD1 4.41Å; E244-Y482 HydrophobicContact CB-CD2 3.8Å; E244-Y482 HydrophobicContact CB-CE1 4.44Å; E244-Y482 HydrophobicContact CB-CE2 3.83Å; E244-Y482 HydrophobicContact CB-CG 4.09Å; E244-Y482 HydrophobicContact CG-CE1 4.49Å; E244-Y482 HydrophobicContact CG-CE2 4.23Å
245Q90.4Very high88.3Confident0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-66.9-43.6175.7-73163-2400112.6M233 T242 I243 L248 A249 Y482M233-Q245 HydrophobicContact CE-CB 3.88Å; M233-Q245 HydrophobicContact CE-CG 3.99Å; M233-Q245 HydrophobicContact SD-CG 4.33Å; T242-Q245 PolarHBondContact O-N 3.31Å; T242-Q245 VanDerWaalsContact OG1-CG 3.24Å; T242-Q245 WeakPolarHBondContact OG1-CG 3.18Å; T242-Q245 PolarHBondContact OG1-N 2.99Å; T242-Q245 PolarHBondContact OG1-OE1 2.82Å; I243-Q245 VanDerWaalsContact C-N 3.32Å; I243-Q245 PolarHBondContact O-N 3.01Å; Q245-L248 PolarHBondContact O-N 3.39Å; Q245-A249 WeakPolarHBondContact O-CB 3.46Å; Q245-A249 PolarHBondContact O-N 3.27Å; Q245-Y482 WeakPolarHBondContact CG-O 3.44Å; Q245-Y482 PolarHBondContact NE2-O 2.92Å
246C90.8Very high88.7Confident49 Ų4940 Ų4033%0.33122%0.215SC..Hα-helixtrans-63-43.5176.6-68.70000112.2W241 T242 I243 L248 A249 I250W241-C246 VanDerWaalsContact CB-SG 3.55Å; T242-C246 PolarHBondContact O-N 3.08Å; T242-C246 PolarHBondContact O-SG 3.48Å; T242-C246 VanDerWaalsContact O-SG 3.38Å; I243-C246 PolarHBondContact O-N 3.3Å; C246-L248 VanDerWaalsContact C-N 3.3Å; C246-L248 PolarHBondContact O-N 3.37Å; C246-A249 PolarHBondContact O-N 3.09Å; C246-I250 PolarHBondContact O-N 2.87Å
247C91.4Very high89Confident15 Ų1541.6 Ų41.610%0.10122%0.224CC..Hα-helixtrans-60.4-43.3176.6-73.50000111I243 I250 L251 V292I243-C247 VanDerWaalsContact O-CB 3.27Å; I243-C247 WeakPolarHBondContact O-CB 3.17Å; I243-C247 PolarHBondContact O-N 3.05Å; I243-C247 PolarHBondContact O-SG 3.33Å; C247-I250 PolarHBondContact O-N 3.35Å; C247-L251 VanDerWaalsContact O-CB 3.32Å; C247-L251 WeakPolarHBondContact O-CB 3.28Å; C247-L251 PolarHBondContact O-N 3Å; C247-V292 HydrophobicContact CB-CB 4.28Å; C247-V292 HydrophobicContact CB-CG1 3.71Å; C247-V292 HydrophobicContact CB-CG2 3.66Å
248L92.1Very high89.2Confident4 Ų438.7 Ų38.72%0.02120%0.204CC..Hα-helixtrans-70.3-35.7-179.9-173.573000113F229 E244 Q245 C246 I250 L251 L252 I475 L478 A479F229-L248 HydrophobicContact CD2-CD2 3.81Å; F229-L248 HydrophobicContact CE1-CD2 4.08Å; F229-L248 HydrophobicContact CE1-CG 4.32Å; F229-L248 HydrophobicContact CE2-CD2 3.24Å; F229-L248 HydrophobicContact CE2-CG 4.29Å; F229-L248 HydrophobicContact CG-CD2 4.45Å; F229-L248 HydrophobicContact CZ-CB 4.25Å; F229-L248 HydrophobicContact CZ-CD2 3.4Å; F229-L248 HydrophobicContact CZ-CG 4.06Å; E244-L248 VanDerWaalsContact O-CB 3.29Å; E244-L248 WeakPolarHBondContact O-CB 3.09Å; E244-L248 PolarHBondContact O-N 2.85Å; Q245-L248 PolarHBondContact O-N 3.39Å; C246-L248 VanDerWaalsContact C-N 3.3Å; C246-L248 PolarHBondContact O-N 3.37Å; L248-I250 PolarHBondContact O-N 2.94Å; L248-L251 PolarHBondContact O-N 3.24Å; L248-L251 VanDerWaalsContact O-N 3.15Å; L248-L252 HydrophobicContact CD1-CD1 4.37Å; L248-L252 HydrophobicContact CD1-CG 4.15Å; L248-L252 HydrophobicContact CD2-CD1 4.38Å; L248-L252 HydrophobicContact CG-CD1 3.93Å; L248-L252 HydrophobicContact CG-CG 4.17Å; L248-L252 WeakPolarHBondContact O-CG 3.34Å; L248-L252 PolarHBondContact O-N 3.48Å; L248-I475 HydrophobicContact CD1-CG2 4.11Å; L248-L478 HydrophobicContact CD1-CB 4.22Å; L248-A479 HydrophobicContact CD1-CB 4.2Å; L248-A479 HydrophobicContact CD2-CB 3.73Å; L248-A479 HydrophobicContact CG-CB 4.38Å
249A92.3Very high89.3Confident31 Ų3133.8 Ų33.826%0.25618%0.178SC..Hα-helixtrans-61.1-27.1173.400000112.5F229 W241 Q245 C246 P253F229-A249 HydrophobicContact CE1-CB 4.23Å; W241-A249 HydrophobicContact CZ3-CB 3.82Å; Q245-A249 WeakPolarHBondContact O-CB 3.46Å; Q245-A249 PolarHBondContact O-N 3.27Å; C246-A249 PolarHBondContact O-N 3.09Å; A249-P253 WeakPolarHBondContact O-CD 3.46Å; A249-P253 VanDerWaalsContact O-CG 3.25Å; A249-P253 WeakPolarHBondContact O-CG 3.36Å
250I92.8Very high89.5Confident95 Ų9526.8 Ų26.849%0.48714%0.141SC..Hα-helixtrans-83.1-44.4171.3-63.7168.3000110.4C246 C247 L248 L252 P253 L254 V288C246-I250 PolarHBondContact O-N 2.87Å; C247-I250 PolarHBondContact O-N 3.35Å; L248-I250 PolarHBondContact O-N 2.94Å; I250-L252 PolarHBondContact O-N 2.73Å; I250-P253 VanDerWaalsContact O-CD 3.31Å; I250-P253 WeakPolarHBondContact O-CD 3.42Å; I250-L254 HydrophobicContact CG2-CD1 3.71Å; I250-L254 WeakPolarHBondContact O-CD1 3.19Å; I250-L254 PolarHBondContact O-N 2.89Å; I250-V288 HydrophobicContact CG2-CG1 4.06Å
251L93.3Very high89.6Confident1 Ų124.6 Ų24.61%0.00514%0.137CC..Hα-helixtrans-68.8-33.6-172.1-167.854.8000113.8C247 L248 L254 L255 F285 V288 L289 I475C247-L251 VanDerWaalsContact O-CB 3.32Å; C247-L251 WeakPolarHBondContact O-CB 3.28Å; C247-L251 PolarHBondContact O-N 3Å; L248-L251 PolarHBondContact O-N 3.24Å; L248-L251 VanDerWaalsContact O-N 3.15Å; L251-L254 PolarHBondContact O-N 3.37Å; L251-L255 WeakPolarHBondContact O-CB 3.16Å; L251-L255 PolarHBondContact O-N 2.87Å; L251-F285 HydrophobicContact CD1-CD2 3.84Å; L251-F285 HydrophobicContact CD1-CE2 3.45Å; L251-F285 VanDerWaalsContact CD1-CE2 3.45Å; L251-F285 HydrophobicContact CD1-CZ 4.24Å; L251-F285 HydrophobicContact CG-CE2 4.21Å; L251-V288 HydrophobicContact CD1-CG1 4.37Å; L251-L289 HydrophobicContact CD1-CB 4.42Å; L251-L289 HydrophobicContact CD1-CD1 4.47Å; L251-L289 HydrophobicContact CD2-CD1 3.99Å; L251-I475 HydrophobicContact CD2-CD1 3.3Å; L251-I475 HydrophobicContact CG-CD1 3.77Å
252L93.9Very high89.5Confident2 Ų226.6 Ų26.61%0.0115%0.151CC..Hα-helixtrans-66-48178.5-76.6167.7000113.2L225 F226 F229 L248 I250 L254 L255 M256 I475 A479L225-L252 HydrophobicContact CD2-CD2 3.62Å; L225-L252 HydrophobicContact CG-CD2 3.91Å; F226-L252 HydrophobicContact CB-CB 4.47Å; F226-L252 HydrophobicContact CD2-CB 3.88Å; F229-L252 HydrophobicContact CB-CD1 3.57Å; F229-L252 HydrophobicContact CD1-CD1 3.45Å; F229-L252 VanDerWaalsContact CD1-CD1 3.45Å; F229-L252 HydrophobicContact CD2-CD1 4.25Å; F229-L252 HydrophobicContact CE1-CD1 4.2Å; F229-L252 HydrophobicContact CG-CD1 3.48Å; F229-L252 VanDerWaalsContact CG-CD1 3.48Å; L248-L252 HydrophobicContact CD1-CD1 4.37Å; L248-L252 HydrophobicContact CD1-CG 4.15Å; L248-L252 HydrophobicContact CD2-CD1 4.38Å; L248-L252 HydrophobicContact CG-CD1 3.93Å; L248-L252 HydrophobicContact CG-CG 4.17Å; L248-L252 WeakPolarHBondContact O-CG 3.34Å; L248-L252 PolarHBondContact O-N 3.48Å; I250-L252 PolarHBondContact O-N 2.73Å; L252-L254 VanDerWaalsContact C-N 3.32Å; L252-L254 PolarHBondContact O-N 3.48Å; L252-L255 WeakPolarHBondContact O-CB 3.5Å; L252-L255 PolarHBondContact O-N 2.84Å; L252-M256 PolarHBondContact O-N 3.16Å; L252-I475 HydrophobicContact CD2-CG2 3.72Å; L252-I475 HydrophobicContact CG-CG2 4.35Å; L252-A479 HydrophobicContact CD1-CB 4.27Å; L252-A479 HydrophobicContact CD2-CB 4.45Å
253P93.2Very high89.2Confident37 Ų3726.7 Ų26.724%0.2415%0.15CC..Hα-helixtrans-55.4-44.4168.8-26.130.1000113.3F226 A249 I250 L255 M256 L257F226-P253 HydrophobicContact CD2-CG 4.02Å; F226-P253 HydrophobicContact CE2-CG 3.51Å; F226-P253 HydrophobicContact CZ-CG 4.13Å; A249-P253 WeakPolarHBondContact O-CD 3.46Å; A249-P253 VanDerWaalsContact O-CG 3.25Å; A249-P253 WeakPolarHBondContact O-CG 3.36Å; I250-P253 VanDerWaalsContact O-CD 3.31Å; I250-P253 WeakPolarHBondContact O-CD 3.42Å; P253-L255 VanDerWaalsContact C-N 3.3Å; P253-L255 PolarHBondContact O-N 3.3Å; P253-M256 WeakPolarHBondContact O-CB 3.32Å; P253-M256 PolarHBondContact O-N 2.8Å; P253-L257 WeakPolarHBondContact O-CG 3.17Å; P253-L257 PolarHBondContact O-N 3Å
254L93.7Very high88.9Confident28 Ų2829 Ų2915%0.14717%0.165CC..Hα-helixtrans-66-32.8178.1-84.491000112.3I250 L251 L252 M256 L257 Y258 F285 V288I250-L254 HydrophobicContact CG2-CD1 3.71Å; I250-L254 WeakPolarHBondContact O-CD1 3.19Å; I250-L254 PolarHBondContact O-N 2.89Å; L251-L254 PolarHBondContact O-N 3.37Å; L252-L254 VanDerWaalsContact C-N 3.32Å; L252-L254 PolarHBondContact O-N 3.48Å; L254-M256 VanDerWaalsContact C-N 3.27Å; L254-M256 PolarHBondContact O-N 3.08Å; L254-L257 CarbonylContact O-C 3.56Å; L254-L257 PolarHBondContact O-N 3.37Å; L254-Y258 PolarHBondContact O-N 3.24Å; L254-F285 HydrophobicContact CB-CB 4.43Å; L254-F285 HydrophobicContact CB-CD2 3.96Å; L254-V288 HydrophobicContact CD2-CB 4.07Å; L254-V288 HydrophobicContact CD2-CG2 3.75Å
255L92.6Very high88.7Confident2 Ų231.5 Ų31.51%0.0118%0.179CC..Hα-helixtrans-63.1-35.3174.3-176.366.2000112K222 L251 L252 P253 Y258 F285 I471 I475K222-L255 HydrophobicContact CD-CG 4.13Å; K222-L255 WeakPolarHBondContact CD-O 3.45Å; K222-L255 HydrophobicContact CG-CD2 4.23Å; K222-L255 HydrophobicContact CG-CG 4.2Å; K222-L255 PolarHBondContact NZ-O 2.9Å; L251-L255 WeakPolarHBondContact O-CB 3.16Å; L251-L255 PolarHBondContact O-N 2.87Å; L252-L255 WeakPolarHBondContact O-CB 3.5Å; L252-L255 PolarHBondContact O-N 2.84Å; P253-L255 VanDerWaalsContact C-N 3.3Å; P253-L255 PolarHBondContact O-N 3.3Å; L255-Y258 WeakPolarHBondContact O-CB 3.42Å; L255-F285 HydrophobicContact CB-CD2 4.49Å; L255-F285 HydrophobicContact CB-CE2 3.96Å; L255-F285 HydrophobicContact CD1-CE2 3.8Å; L255-F285 HydrophobicContact CD1-CZ 3.78Å; L255-I471 HydrophobicContact CD1-CG2 3.75Å; L255-I475 HydrophobicContact CD2-CB 3.9Å; L255-I475 HydrophobicContact CD2-CG1 4.31Å; L255-I475 HydrophobicContact CD2-CG2 3.82Å
256M92Very high88Confident40 Ų4031.9 Ų31.920%0.19718%0.181CC..Hα-helixtrans-68.4-45.4172.3-174.4-174.674.300110.9L219 F223 L252 P253 L254 Y258 N259L219-M256 HydrophobicContact CD1-CG 3.65Å; L219-M256 WeakPolarHBondContact CD1-O 3.29Å; F223-M256 HydrophobicContact CD2-SD 3.79Å; L252-M256 PolarHBondContact O-N 3.16Å; P253-M256 WeakPolarHBondContact O-CB 3.32Å; P253-M256 PolarHBondContact O-N 2.8Å; L254-M256 VanDerWaalsContact C-N 3.27Å; L254-M256 PolarHBondContact O-N 3.08Å; M256-Y258 PolarHBondContact O-N 3.4Å; M256-N259 PolarHBondContact O-N 3.45Å
257L91.3Very high87.3Confident46 Ų4633.1 Ų33.124%0.24118%0.179CC..Hα-helixtrans-62.8-29.5177.2-68.6175.1000112.9P253 L254 N259 N260 P261 F281P253-L257 WeakPolarHBondContact O-CG 3.17Å; P253-L257 PolarHBondContact O-N 3Å; L254-L257 CarbonylContact O-C 3.56Å; L254-L257 PolarHBondContact O-N 3.37Å; L257-N259 PolarHBondContact O-N 3.28Å; L257-N260 VanDerWaalsContact O-CA 3.31Å; L257-N260 WeakPolarHBondContact O-CA 3.48Å; L257-N260 PolarHBondContact O-N 3.18Å; L257-P261 HydrophobicContact CD2-CG 4.15Å; L257-F281 HydrophobicContact CB-CB 4Å; L257-F281 HydrophobicContact CB-CD1 3.96Å; L257-F281 HydrophobicContact CB-CD2 4.2Å; L257-F281 HydrophobicContact CB-CG 3.8Å; L257-F281 HydrophobicContact CD1-CD1 4.14Å; L257-F281 HydrophobicContact CD1-CE1 4.18Å; L257-F281 HydrophobicContact CD2-CD1 4.38Å; L257-F281 HydrophobicContact CD2-CD2 4.42Å; L257-F281 HydrophobicContact CD2-CE1 4.09Å; L257-F281 HydrophobicContact CD2-CE2 4.12Å; L257-F281 HydrophobicContact CD2-CZ 3.96Å; L257-F281 HydrophobicContact CG-CD1 4.39Å; L257-F281 HydrophobicContact CG-CE1 4.5Å; L257-F281 WeakPolarHBondContact O-CB 3.45Å; L257-F281 VanDerWaalsContact O-CD2 3.29Å; L257-F281 WeakPolarHBondContact O-CD2 3.25Å; L257-F281 WeakPolarHBondContact O-CG 3.09Å
258Y88.4Confident86.8Confident24 Ų2439.2 Ų39.29%0.09421%0.21CC..Hα-helixtrans-55.5-33.7176.9-175.2-88000113.1L254 L255 M256 N260 Q282 F285L254-Y258 PolarHBondContact O-N 3.24Å; L255-Y258 WeakPolarHBondContact O-CB 3.42Å; M256-Y258 PolarHBondContact O-N 3.4Å; Y258-N260 VanDerWaalsContact C-N 3.28Å; Y258-Q282 HydrophobicContact CD2-CB 4.12Å; Y258-Q282 HydrophobicContact CD2-CG 3.92Å; Y258-Q282 HydrophobicContact CE2-CB 3.93Å; Y258-Q282 HydrophobicContact CE2-CG 3.82Å; Y258-Q282 HydrophobicContact CG-CG 4.4Å; Y258-F285 HydrophobicContact CD2-CB 3.89Å; Y258-F285 AromaticContact CD2-CD1 3.54Å; Y258-F285 HydrophobicContact CD2-CD1 3.54Å; Y258-F285 HydrophobicContact CD2-CE1 4.34Å; Y258-F285 AromaticContact CD2-CG 3.86Å; Y258-F285 HydrophobicContact CD2-CG 3.86Å; Y258-F285 AromaticContact CE2-CD1 3.96Å; Y258-F285 HydrophobicContact CE2-CD1 3.96Å; Y258-F285 HydrophobicContact CG-CD1 4.34Å; Y258-F285 HydrophobicContact CG-CG 4.49Å
259N82.8Confident86.2Confident18 Ų1841.3 Ų41.310%0.09622%0.223CC..THydrogen-bonded Turntrans-90.814.3175.1-79.118.6000112.9T215 E218 L219 K222 M256 L257 Q468T215-N259 HydrophobicContact CG2-CB 3.71Å; T215-N259 PolarHBondContact O-ND2 3.4Å; E218-N259 PolarHBondContact OE2-ND2 3.15Å; L219-N259 HydrophobicContact CD1-CB 4.16Å; K222-N259 PolarHBondContact NZ-ND2 2.87Å; K222-N259 VanDerWaalsContact NZ-ND2 3.19Å; K222-N259 PolarHBondContact NZ-OD1 2.97Å; M256-N259 PolarHBondContact O-N 3.45Å; L257-N259 PolarHBondContact O-N 3.28Å; N259-Q468 PolarHBondContact ND2-NE2 2.77Å; N259-Q468 PolarHBondContact OD1-NE2 3.04Å
260N84Confident85.3Confident5 Ų546.7 Ų46.73%0.02725%0.246CC..  trans38.284.3-178.4-170.12.9000114.8L257 Y258 L262 Y263 D278 F281L257-N260 VanDerWaalsContact O-CA 3.31Å; L257-N260 WeakPolarHBondContact O-CA 3.48Å; L257-N260 PolarHBondContact O-N 3.18Å; Y258-N260 VanDerWaalsContact C-N 3.28Å; N260-L262 PolarHBondContact O-N 2.9Å; N260-L262 WeakPolarHBondContact OD1-CA 3.31Å; N260-L262 WeakPolarHBondContact OD1-CB 3.29Å; N260-L262 PolarHBondContact OD1-N 3.09Å; N260-Y263 WeakPolarHBondContact O-CB 3.28Å; N260-Y263 PolarHBondContact O-N 2.85Å; N260-Y263 VanDerWaalsContact O-N 3.09Å; N260-Y263 PolarHBondContact OD1-N 3.21Å; N260-D278 HydrophobicContact CB-CB 4.42Å; N260-F281 HydrophobicContact CB-CD2 4.23Å
261P84.1Confident84.9Confident45 Ų4547.4 Ų47.429%0.29225%0.251SS..THydrogen-bonded Turntrans-63.5-15.5175.727.8-35.2000113.3L219 L257L219-P261 HydrophobicContact CD1-CB 4.36Å; L219-P261 HydrophobicContact CD2-CB 4.11Å; L257-P261 HydrophobicContact CD2-CG 4.15Å
262L83.8Confident84.4Confident86 Ų8651 Ų5145%0.4526%0.264SS..THydrogen-bonded Turntrans-91.74.6179.5-56.3178000112.7N260 P264 L265 L277 F281N260-L262 PolarHBondContact O-N 2.9Å; N260-L262 WeakPolarHBondContact OD1-CA 3.31Å; N260-L262 WeakPolarHBondContact OD1-CB 3.29Å; N260-L262 PolarHBondContact OD1-N 3.09Å; L262-P264 VanDerWaalsContact C-N 3.3Å; L262-L265 WeakPolarHBondContact O-CB 3.25Å; L262-L265 PolarHBondContact O-N 3.17Å; L262-L277 HydrophobicContact CD1-CD1 4.43Å; L262-F281 HydrophobicContact CD1-CE2 4.47Å; L262-F281 HydrophobicContact CD1-CZ 4.33Å
263Y78.3Confident84.1Confident12 Ų1256.2 Ų56.25%0.04729%0.287CS..G310 helixtrans-51-40.9179.8-173.8-98.1000114.1R81 T212 N260 L265 Q266 Y267R81-Y263 VanDerWaalsContact CA-OH 3.24Å; R81-Y263 WeakPolarHBondContact CA-OH 3.01Å; R81-Y263 VanDerWaalsContact CB-OH 3.24Å; R81-Y263 WeakPolarHBondContact CB-OH 3.31Å; R81-Y263 HydrophobicContact CG-CE1 4.35Å; R81-Y263 HydrophobicContact CG-CE2 4.38Å; R81-Y263 VanDerWaalsContact CG-OH 3.32Å; R81-Y263 WeakPolarHBondContact CG-OH 3.06Å; R81-Y263 VanDerWaalsContact NH2-CE2 3.27Å; T212-Y263 HydrophobicContact CG2-CE1 4.42Å; N260-Y263 WeakPolarHBondContact O-CB 3.28Å; N260-Y263 PolarHBondContact O-N 2.85Å; N260-Y263 VanDerWaalsContact O-N 3.09Å; N260-Y263 PolarHBondContact OD1-N 3.21Å; Y263-L265 PolarHBondContact O-N 3.48Å; Y263-Q266 VanDerWaalsContact CE2-CD 3.42Å; Y263-Q266 VanDerWaalsContact CZ-OE1 3.29Å; Y263-Q266 WeakPolarHBondContact O-CB 3.34Å; Y263-Q266 PolarHBondContact O-N 2.88Å; Y263-Q266 PolarHBondContact OH-OE1 3.44Å; Y263-Y267 HydrophobicContact CE1-CE1 4.44Å; Y263-Y267 AromaticContact CE1-CZ 3.96Å; Y263-Y267 WeakPolarHBondContact CE1-OH 3.41Å
264P79.7Confident83.7Confident55 Ų5554.6 Ų54.636%0.35728%0.277SS..G310 helixtrans-59.1-16.5177-25.435.9000115.2L262 Q266 Y267L262-P264 VanDerWaalsContact C-N 3.3Å; P264-Q266 PolarHBondContact O-N 3.42Å; P264-Y267 HydrophobicContact CB-CD2 4.13Å; P264-Y267 HydrophobicContact CB-CE2 4.24Å; P264-Y267 WeakPolarHBondContact O-CD2 3.38Å; P264-Y267 PolarHBondContact O-N 2.9Å; P264-Y267 VanDerWaalsContact O-N 3.15Å
265L81.6Confident82.9Confident66 Ų6653.9 Ų53.935%0.34627%0.274SS..G310 helixtrans-62-26173.9-172.662.7000112.2L262 Y263 Y267 L268 T269 P274L262-L265 WeakPolarHBondContact O-CB 3.25Å; L262-L265 PolarHBondContact O-N 3.17Å; Y263-L265 PolarHBondContact O-N 3.48Å; L265-Y267 PolarHBondContact O-N 3.42Å; L265-L268 HydrophobicContact CD1-CB 4.41Å; L265-L268 HydrophobicContact CD1-CD1 4.23Å; L265-L268 PolarHBondContact O-N 3.46Å; L265-T269 HydrophobicContact CD1-CG2 4.39Å; L265-T269 PolarHBondContact O-N 3Å; L265-T269 PolarHBondContact O-OG1 3.3Å; L265-P274 HydrophobicContact CD2-CG 4.21Å; L265-P274 HydrophobicContact CG-CG 4.2Å
266Q76.6Confident82.6Confident8 Ų854.1 Ų54.14%0.03728%0.275CS..G310 helixtrans-58.6-31.8174.5-72.3-179.411.500112.3Y263 P264 L268 P274 S275Y263-Q266 VanDerWaalsContact CE2-CD 3.42Å; Y263-Q266 VanDerWaalsContact CZ-OE1 3.29Å; Y263-Q266 WeakPolarHBondContact O-CB 3.34Å; Y263-Q266 PolarHBondContact O-N 2.88Å; Y263-Q266 PolarHBondContact OH-OE1 3.44Å; P264-Q266 PolarHBondContact O-N 3.42Å; Q266-L268 PolarHBondContact O-N 3.38Å; Q266-P274 HydrophobicContact CG-CB 3.61Å; Q266-P274 PolarHBondContact NE2-O 2.93Å; Q266-S275 PolarHBondContact NE2-OG 2.95Å
267Y75.2Confident82.4Confident76 Ų7653.1 Ų53.130%0.29827%0.271SS..G310 helixtrans-75.1-16.5178.4-48.6-45000113.3V78 Y263 P264 L265V78-Y267 HydrophobicContact CB-CE1 4.4Å; V78-Y267 HydrophobicContact CG1-CD1 3.32Å; V78-Y267 HydrophobicContact CG1-CD2 4.22Å; V78-Y267 HydrophobicContact CG1-CE1 3.05Å; V78-Y267 HydrophobicContact CG1-CE2 3.98Å; V78-Y267 HydrophobicContact CG1-CG 3.91Å; V78-Y267 WeakPolarHBondContact O-CE1 2.99Å; V78-Y267 PolarHBondContact O-OH 3.04Å; Y263-Y267 HydrophobicContact CE1-CE1 4.44Å; Y263-Y267 AromaticContact CE1-CZ 3.96Å; Y263-Y267 WeakPolarHBondContact CE1-OH 3.41Å; P264-Y267 HydrophobicContact CB-CD2 4.13Å; P264-Y267 HydrophobicContact CB-CE2 4.24Å; P264-Y267 WeakPolarHBondContact O-CD2 3.38Å; P264-Y267 PolarHBondContact O-N 2.9Å; P264-Y267 VanDerWaalsContact O-N 3.15Å; L265-Y267 PolarHBondContact O-N 3.42Å
268L80.3Confident82Confident143 Ų14351.4 Ų51.475%0.74926%0.262SS*.THydrogen-bonded Turntrans-97.3-22.3-178.6-62.3175.5000112.3L265 Q266L265-L268 HydrophobicContact CD1-CB 4.41Å; L265-L268 HydrophobicContact CD1-CD1 4.23Å; L265-L268 PolarHBondContact O-N 3.46Å; Q266-L268 PolarHBondContact O-N 3.38Å
269T80.5Confident81.9Confident47 Ų4751.7 Ų51.729%0.28826%0.263SS..  trans-133.5130.1-174.970.20000111.3L265 N271 P274L265-T269 HydrophobicContact CD1-CG2 4.39Å; L265-T269 PolarHBondContact O-N 3Å; L265-T269 PolarHBondContact O-OG1 3.3Å; T269-N271 PolarHBondContact O-N 3.38Å; T269-P274 WeakPolarHBondContact OG1-CG 3.41Å
270I74.1Confident82.2Confident145 Ų14552.9 Ų52.974%0.74427%0.269SS*.  trans-77.73.5178.2-54.5165.3000111.6H337I270-H337 PolarHBondContact O-CE1 2.93Å; I270-H337 PolarHBondContact O-NE2 3.33Å
271N83.2Confident82.6Confident110 Ų11053.7 Ų53.759%0.58827%0.273SS*.SBendtrans-80.4152-174.6-67.9-3.3000112.2T269 F273 P274T269-N271 PolarHBondContact O-N 3.38Å; N271-F273 PolarHBondContact O-N 3.2Å; N271-P274 WeakPolarHBondContact O-CD 3.5Å
272W83.9Confident82.8Confident75 Ų7553.5 Ų53.528%0.28427%0.268SS..SBendtrans-63.8-20173.965.7-91.3000114.7S275 C276 T330 V333 Y334 H337W272-S275 WeakPolarHBondContact O-CB 3.44Å; W272-S275 PolarHBondContact O-N 2.86Å; W272-C276 HydrophobicContact CE3-CB 3.77Å; W272-C276 HydrophobicContact CZ3-CB 3.62Å; W272-C276 PolarHBondContact O-N 2.89Å; W272-C276 VanDerWaalsContact O-N 3.15Å; W272-T330 HydrophobicContact CH2-CG2 4.01Å; W272-T330 HydrophobicContact CZ3-CG2 3.91Å; W272-V333 HydrophobicContact CE3-CG1 4.32Å; W272-Y334 HydrophobicContact CD2-CD2 4.41Å; W272-Y334 HydrophobicContact CZ2-CD2 4.47Å; W272-Y334 AromaticContact NE1-CD2 3.92Å; W272-H337 HydrophobicContact CB-CB 3.84Å
273F87.1Confident83.2Confident113 Ų11350.2 Ų50.250%0.49625%0.251SS..Hα-helixtrans-60.7-47.3-168.9177-102.2000114.3N271 S275 C276 L277N271-F273 PolarHBondContact O-N 3.2Å; F273-S275 PolarHBondContact O-N 2.74Å; F273-C276 WeakPolarHBondContact O-CB 3.47Å; F273-C276 PolarHBondContact O-N 3.48Å; F273-L277 HydrophobicContact CD1-CD1 4.24Å; F273-L277 HydrophobicContact CD1-CG 4.42Å; F273-L277 HydrophobicContact CE1-CD1 3.72Å; F273-L277 HydrophobicContact CE1-CD2 4.2Å; F273-L277 HydrophobicContact CE1-CG 3.98Å; F273-L277 HydrophobicContact CE2-CD2 4.36Å; F273-L277 HydrophobicContact CZ-CD1 4.22Å; F273-L277 HydrophobicContact CZ-CD2 3.83Å; F273-L277 HydrophobicContact CZ-CG 4.07Å; F273-L277 PolarHBondContact O-N 3.34Å; F273-L277 VanDerWaalsContact O-N 3.09Å
274P84Confident83.9Confident3 Ų350.9 Ų50.92%0.01926%0.256CS..Hα-helixtrans-66.6-22.7178.9-19.634000113.6L265 Q266 T269 N271L265-P274 HydrophobicContact CD2-CG 4.21Å; L265-P274 HydrophobicContact CG-CG 4.2Å; Q266-P274 HydrophobicContact CG-CB 3.61Å; Q266-P274 PolarHBondContact NE2-O 2.93Å; T269-P274 WeakPolarHBondContact OG1-CG 3.41Å; N271-P274 WeakPolarHBondContact O-CD 3.5Å
275S78.1Confident84.6Confident13 Ų1348.2 Ų48.29%0.09124%0.239CC..Hα-helixtrans-71.2-39.9170.3-55.70000111.4Q266 W272 F273 L277 D278 Y279Q266-S275 PolarHBondContact NE2-OG 2.95Å; W272-S275 WeakPolarHBondContact O-CB 3.44Å; W272-S275 PolarHBondContact O-N 2.86Å; F273-S275 PolarHBondContact O-N 2.74Å; S275-L277 VanDerWaalsContact C-N 3.29Å; S275-L277 PolarHBondContact O-N 3.15Å; S275-D278 PolarHBondContact O-N 3.34Å; S275-Y279 WeakPolarHBondContact O-CD2 3.36Å
276C85.7Confident85Confident6 Ų648 Ų484%0.04124%0.24CC..Hα-helixtrans-65-31174.8-171.80000113.2W272 F273 D278 Y279 L280 T330 V333W272-C276 HydrophobicContact CE3-CB 3.77Å; W272-C276 HydrophobicContact CZ3-CB 3.62Å; W272-C276 PolarHBondContact O-N 2.89Å; W272-C276 VanDerWaalsContact O-N 3.15Å; F273-C276 WeakPolarHBondContact O-CB 3.47Å; F273-C276 PolarHBondContact O-N 3.48Å; C276-D278 VanDerWaalsContact C-N 3.3Å; C276-D278 PolarHBondContact O-N 3.37Å; C276-Y279 PolarHBondContact O-N 3.46Å; C276-L280 PolarHBondContact O-N 3.01Å; C276-T330 PolarHBondContact SG-OG1 3.35Å; C276-T330 VanDerWaalsContact SG-OG1 3.36Å; C276-V333 HydrophobicContact CB-CG1 4.25Å
277L87.5Confident85.8Confident20 Ų2047.9 Ų47.911%0.10524%0.24CC..Hα-helixtrans-61.5-36.4179.2-76.5179.2000113.1L262 F273 S275 L280 F281L262-L277 HydrophobicContact CD1-CD1 4.43Å; F273-L277 HydrophobicContact CD1-CD1 4.24Å; F273-L277 HydrophobicContact CD1-CG 4.42Å; F273-L277 HydrophobicContact CE1-CD1 3.72Å; F273-L277 HydrophobicContact CE1-CD2 4.2Å; F273-L277 HydrophobicContact CE1-CG 3.98Å; F273-L277 HydrophobicContact CE2-CD2 4.36Å; F273-L277 HydrophobicContact CZ-CD1 4.22Å; F273-L277 HydrophobicContact CZ-CD2 3.83Å; F273-L277 HydrophobicContact CZ-CG 4.07Å; F273-L277 PolarHBondContact O-N 3.34Å; F273-L277 VanDerWaalsContact O-N 3.09Å; S275-L277 VanDerWaalsContact C-N 3.29Å; S275-L277 PolarHBondContact O-N 3.15Å; L277-L280 PolarHBondContact O-N 2.93Å; L277-F281 HydrophobicContact CB-CE2 4.15Å; L277-F281 HydrophobicContact CB-CZ 4.42Å; L277-F281 HydrophobicContact CD2-CZ 4.25Å; L277-F281 VanDerWaalsContact O-CD2 3.22Å; L277-F281 WeakPolarHBondContact O-CD2 3.49Å; L277-F281 VanDerWaalsContact O-CG 3.25Å; L277-F281 WeakPolarHBondContact O-CG 3.47Å; L277-F281 PolarHBondContact O-N 2.84Å
278D83.2Confident86.7Confident10 Ų1045.9 Ų45.95%0.05324%0.236CC..Hα-helixtrans-58.4-51.8177.9-174.727.7000110.8R81 N260 S275 C276 L280 F281 Q282R81-D278 IonicContact CZ-OD2 2.68Å; R81-D278 IonicContact NH1-OD2 3.94Å; R81-D278 PolarHBondContact NH1-OD2 3.45Å; R81-D278 IonicContact NH2-OD2 3.42Å; R81-D278 PolarHBondContact NH2-OD2 3.26Å; N260-D278 HydrophobicContact CB-CB 4.42Å; S275-D278 PolarHBondContact O-N 3.34Å; C276-D278 VanDerWaalsContact C-N 3.3Å; C276-D278 PolarHBondContact O-N 3.37Å; D278-L280 PolarHBondContact O-N 3.39Å; D278-F281 PolarHBondContact O-N 2.94Å; D278-Q282 VanDerWaalsContact CG-NE2 3.27Å; D278-Q282 WeakPolarHBondContact O-CG 3.32Å; D278-Q282 PolarHBondContact O-N 2.88Å; D278-Q282 PolarHBondContact OD1-NE2 3.33Å; D278-Q282 PolarHBondContact OD2-NE2 3Å
279Y85.7Confident87.3Confident29 Ų2939.7 Ų39.711%0.11420%0.204CC..Hα-helixtrans-62.5-42176.8-60.4-69.9000112.5S275 C276 F281 Q282 I283 I329 V333 L456S275-Y279 WeakPolarHBondContact O-CD2 3.36Å; C276-Y279 PolarHBondContact O-N 3.46Å; Y279-F281 VanDerWaalsContact C-N 3.3Å; Y279-F281 PolarHBondContact O-N 2.89Å; Y279-Q282 PolarHBondContact O-N 3.32Å; Y279-I283 WeakPolarHBondContact O-CB 3.49Å; Y279-I283 WeakPolarHBondContact O-CD1 3.17Å; Y279-I283 WeakPolarHBondContact O-CG1 3.07Å; Y279-I283 PolarHBondContact O-N 3.48Å; Y279-I329 HydrophobicContact CD1-CG2 4.01Å; Y279-I329 HydrophobicContact CD2-CG2 3.85Å; Y279-I329 HydrophobicContact CG-CG2 3.51Å; Y279-V333 HydrophobicContact CD2-CG2 3.64Å; Y279-V333 HydrophobicContact CE2-CG2 3.48Å; Y279-V333 VanDerWaalsContact CE2-CG2 3.48Å; Y279-L456 HydrophobicContact CD1-CD2 3.72Å; Y279-L456 HydrophobicContact CE1-CD2 3.74Å
280L90.7Very high87.8Confident43 Ų4339.4 Ų39.423%0.22520%0.2CC..Hα-helixtrans-55.8-46.7176-177.9152.8000110.9C276 L277 D278 T284 F326C276-L280 PolarHBondContact O-N 3.01Å; L277-L280 PolarHBondContact O-N 2.93Å; D278-L280 PolarHBondContact O-N 3.39Å; L280-T284 HydrophobicContact CD2-CG2 4.06Å; L280-T284 HydrophobicContact CG-CG2 4.38Å; L280-T284 VanDerWaalsContact O-CB 3.29Å; L280-T284 WeakPolarHBondContact O-CB 3.4Å; L280-T284 WeakPolarHBondContact O-CG2 3.18Å; L280-T284 PolarHBondContact O-N 3.22Å; L280-T284 PolarHBondContact O-OG1 3.1Å; L280-F326 HydrophobicContact CB-CD2 4.38Å; L280-F326 HydrophobicContact CB-CE2 3.95Å; L280-F326 HydrophobicContact CD1-CD2 4.43Å; L280-F326 HydrophobicContact CD1-CE2 3.6Å; L280-F326 HydrophobicContact CD1-CZ 3.86Å; L280-F326 HydrophobicContact CG-CD2 4.44Å; L280-F326 HydrophobicContact CG-CE2 4.01Å
281F91.3Very high88.6Confident23 Ų2334.1 Ų34.110%0.10117%0.173CC..Hα-helixtrans-66.1-39.9179.4-62.5-33000112.8L257 N260 L262 L277 D278 Y279 T284 F285L257-F281 HydrophobicContact CB-CB 4Å; L257-F281 HydrophobicContact CB-CD1 3.96Å; L257-F281 HydrophobicContact CB-CD2 4.2Å; L257-F281 HydrophobicContact CB-CG 3.8Å; L257-F281 HydrophobicContact CD1-CD1 4.14Å; L257-F281 HydrophobicContact CD1-CE1 4.18Å; L257-F281 HydrophobicContact CD2-CD1 4.38Å; L257-F281 HydrophobicContact CD2-CD2 4.42Å; L257-F281 HydrophobicContact CD2-CE1 4.09Å; L257-F281 HydrophobicContact CD2-CE2 4.12Å; L257-F281 HydrophobicContact CD2-CZ 3.96Å; L257-F281 HydrophobicContact CG-CD1 4.39Å; L257-F281 HydrophobicContact CG-CE1 4.5Å; L257-F281 WeakPolarHBondContact O-CB 3.45Å; L257-F281 VanDerWaalsContact O-CD2 3.29Å; L257-F281 WeakPolarHBondContact O-CD2 3.25Å; L257-F281 WeakPolarHBondContact O-CG 3.09Å; N260-F281 HydrophobicContact CB-CD2 4.23Å; L262-F281 HydrophobicContact CD1-CE2 4.47Å; L262-F281 HydrophobicContact CD1-CZ 4.33Å; L277-F281 HydrophobicContact CB-CE2 4.15Å; L277-F281 HydrophobicContact CB-CZ 4.42Å; L277-F281 HydrophobicContact CD2-CZ 4.25Å; L277-F281 VanDerWaalsContact O-CD2 3.22Å; L277-F281 WeakPolarHBondContact O-CD2 3.49Å; L277-F281 VanDerWaalsContact O-CG 3.25Å; L277-F281 WeakPolarHBondContact O-CG 3.47Å; L277-F281 PolarHBondContact O-N 2.84Å; D278-F281 PolarHBondContact O-N 2.94Å; Y279-F281 VanDerWaalsContact C-N 3.3Å; Y279-F281 PolarHBondContact O-N 2.89Å; F281-T284 WeakPolarHBondContact CA-OG1 3.17Å; F281-T284 PolarHBondContact O-OG1 2.97Å; F281-F285 WeakPolarHBondContact O-CB 3.37Å; F281-F285 PolarHBondContact O-N 3.42Å
282Q89Confident89Confident40 Ų4029.3 Ų29.319%0.18715%0.148CC..Hα-helixtrans-65.9-48.2177-66.5175.426.400112.3Y258 D278 Y279 F285 V286Y258-Q282 HydrophobicContact CD2-CB 4.12Å; Y258-Q282 HydrophobicContact CD2-CG 3.92Å; Y258-Q282 HydrophobicContact CE2-CB 3.93Å; Y258-Q282 HydrophobicContact CE2-CG 3.82Å; Y258-Q282 HydrophobicContact CG-CG 4.4Å; D278-Q282 VanDerWaalsContact CG-NE2 3.27Å; D278-Q282 WeakPolarHBondContact O-CG 3.32Å; D278-Q282 PolarHBondContact O-N 2.88Å; D278-Q282 PolarHBondContact OD1-NE2 3.33Å; D278-Q282 PolarHBondContact OD2-NE2 3Å; Y279-Q282 PolarHBondContact O-N 3.32Å; Q282-F285 PolarHBondContact O-N 2.93Å; Q282-V286 WeakPolarHBondContact O-CG2 3.42Å; Q282-V286 PolarHBondContact O-N 3.5Å; Q282-V286 VanDerWaalsContact O-N 3.1Å
283I91.1Very high89.2Confident18 Ų1826.7 Ų26.79%0.09214%0.138CC..Hα-helixtrans-65.7-42.2-179.5-56153.2000110.5Y279 V286 A287 W322 I325 I329Y279-I283 WeakPolarHBondContact O-CB 3.49Å; Y279-I283 WeakPolarHBondContact O-CD1 3.17Å; Y279-I283 WeakPolarHBondContact O-CG1 3.07Å; Y279-I283 PolarHBondContact O-N 3.48Å; I283-V286 PolarHBondContact O-N 3.3Å; I283-A287 VanDerWaalsContact O-CB 3.31Å; I283-A287 WeakPolarHBondContact O-CB 3.47Å; I283-A287 PolarHBondContact O-N 3.44Å; I283-W322 HydrophobicContact CG2-CG 4.43Å; I283-I325 HydrophobicContact CD1-CG2 3.94Å; I283-I325 HydrophobicContact CG1-CG2 3.94Å; I283-I325 HydrophobicContact CG2-CB 4.29Å; I283-I325 HydrophobicContact CG2-CG2 3.89Å; I283-I329 HydrophobicContact CD1-CB 4.39Å; I283-I329 HydrophobicContact CD1-CD1 3.54Å; I283-I329 HydrophobicContact CD1-CG1 4.49Å; I283-I329 HydrophobicContact CG1-CD1 4.08Å
284T93.4Very high89.4Confident25 Ų2521.5 Ų21.515%0.15312%0.115CC..Hα-helixtrans-62.6-43.3176.651.10000111.6L280 F281 A287 V288 W322L280-T284 HydrophobicContact CD2-CG2 4.06Å; L280-T284 HydrophobicContact CG-CG2 4.38Å; L280-T284 VanDerWaalsContact O-CB 3.29Å; L280-T284 WeakPolarHBondContact O-CB 3.4Å; L280-T284 WeakPolarHBondContact O-CG2 3.18Å; L280-T284 PolarHBondContact O-N 3.22Å; L280-T284 PolarHBondContact O-OG1 3.1Å; F281-T284 WeakPolarHBondContact CA-OG1 3.17Å; F281-T284 PolarHBondContact O-OG1 2.97Å; T284-A287 PolarHBondContact O-N 3.45Å; T284-V288 WeakPolarHBondContact O-CB 3.21Å; T284-V288 VanDerWaalsContact O-CG2 3.29Å; T284-V288 WeakPolarHBondContact O-CG2 3.28Å; T284-V288 PolarHBondContact O-N 3.05Å; T284-W322 HydrophobicContact CG2-CZ2 3.8Å
285F93.6Very high89.6Confident0 Ų021.6 Ų21.60%012%0.116CC..Hα-helixtrans-58.9-49.7177172.9-98.9000111.7L251 L254 L255 Y258 F281 Q282 A287 V288 L289 I471 I475L251-F285 HydrophobicContact CD1-CD2 3.84Å; L251-F285 HydrophobicContact CD1-CE2 3.45Å; L251-F285 VanDerWaalsContact CD1-CE2 3.45Å; L251-F285 HydrophobicContact CD1-CZ 4.24Å; L251-F285 HydrophobicContact CG-CE2 4.21Å; L254-F285 HydrophobicContact CB-CB 4.43Å; L254-F285 HydrophobicContact CB-CD2 3.96Å; L255-F285 HydrophobicContact CB-CD2 4.49Å; L255-F285 HydrophobicContact CB-CE2 3.96Å; L255-F285 HydrophobicContact CD1-CE2 3.8Å; L255-F285 HydrophobicContact CD1-CZ 3.78Å; Y258-F285 HydrophobicContact CD2-CB 3.89Å; Y258-F285 AromaticContact CD2-CD1 3.54Å; Y258-F285 HydrophobicContact CD2-CD1 3.54Å; Y258-F285 HydrophobicContact CD2-CE1 4.34Å; Y258-F285 AromaticContact CD2-CG 3.86Å; Y258-F285 HydrophobicContact CD2-CG 3.86Å; Y258-F285 AromaticContact CE2-CD1 3.96Å; Y258-F285 HydrophobicContact CE2-CD1 3.96Å; Y258-F285 HydrophobicContact CG-CD1 4.34Å; Y258-F285 HydrophobicContact CG-CG 4.49Å; F281-F285 WeakPolarHBondContact O-CB 3.37Å; F281-F285 PolarHBondContact O-N 3.42Å; Q282-F285 PolarHBondContact O-N 2.93Å; F285-A287 PolarHBondContact O-N 3.37Å; F285-V288 PolarHBondContact O-N 3.48Å; F285-L289 HydrophobicContact CE1-CD2 4.46Å; F285-L289 WeakPolarHBondContact O-CB 3.43Å; F285-L289 PolarHBondContact O-N 3.41Å; F285-I471 HydrophobicContact CE1-CG2 3.61Å; F285-I471 HydrophobicContact CZ-CG2 3.5Å; F285-I475 HydrophobicContact CZ-CG1 4.43Å
286V91.1Very high90Very high61 Ų6121.2 Ų21.237%0.3711%0.113SC..Hα-helixtrans-62.3-44.3179175.40000111.2Q282 I283 V288 L289 L290Q282-V286 WeakPolarHBondContact O-CG2 3.42Å; Q282-V286 PolarHBondContact O-N 3.5Å; Q282-V286 VanDerWaalsContact O-N 3.1Å; I283-V286 PolarHBondContact O-N 3.3Å; V286-V288 PolarHBondContact O-N 3.37Å; V286-L289 PolarHBondContact O-N 3.43Å; V286-L290 HydrophobicContact CG1-CD1 4.42Å; V286-L290 WeakPolarHBondContact O-CG 3.16Å; V286-L290 PolarHBondContact O-N 3.28Å; V286-L290 VanDerWaalsContact O-N 3.08Å
287A93.1Very high89.9Confident6 Ų621.1 Ų21.15%0.0511%0.111CC..Hα-helixtrans-61.3-44.7177.500000112.2I283 T284 F285 L290 L291 I318 W322I283-A287 VanDerWaalsContact O-CB 3.31Å; I283-A287 WeakPolarHBondContact O-CB 3.47Å; I283-A287 PolarHBondContact O-N 3.44Å; T284-A287 PolarHBondContact O-N 3.45Å; F285-A287 PolarHBondContact O-N 3.37Å; A287-L290 PolarHBondContact O-N 3Å; A287-L291 PolarHBondContact O-N 2.87Å; A287-I318 HydrophobicContact CB-CG2 3.76Å; A287-I318 WeakPolarHBondContact O-CG2 3.47Å; A287-W322 HydrophobicContact CB-CB 4.11Å; A287-W322 HydrophobicContact CB-CG 4.23Å
288V93.9Very high89.9Confident34 Ų3421.7 Ų21.721%0.20611%0.114CC..Hα-helixtrans-65.9-39.81771720000111.1I250 L251 L254 T284 F285 V286 L290 L291 V292I250-V288 HydrophobicContact CG2-CG1 4.06Å; L251-V288 HydrophobicContact CD1-CG1 4.37Å; L254-V288 HydrophobicContact CD2-CB 4.07Å; L254-V288 HydrophobicContact CD2-CG2 3.75Å; T284-V288 WeakPolarHBondContact O-CB 3.21Å; T284-V288 VanDerWaalsContact O-CG2 3.29Å; T284-V288 WeakPolarHBondContact O-CG2 3.28Å; T284-V288 PolarHBondContact O-N 3.05Å; F285-V288 PolarHBondContact O-N 3.48Å; V286-V288 PolarHBondContact O-N 3.37Å; V288-L290 PolarHBondContact O-N 2.89Å; V288-L291 WeakPolarHBondContact O-CB 3.43Å; V288-L291 PolarHBondContact O-N 3.39Å; V288-L291 VanDerWaalsContact O-N 3.12Å; V288-V292 HydrophobicContact CG1-CG2 4.15Å; V288-V292 WeakPolarHBondContact O-CB 3.33Å; V288-V292 VanDerWaalsContact O-CG2 3.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.47Å; V288-V292 PolarHBondContact O-N 3.36Å
289L92.3Very high89.8Confident13 Ų1321.4 Ų21.47%0.06811%0.113CC..Hα-helixtrans-58-46.3175.9-17964.2000111.8L251 F285 V286 L291 V292 W293 F400 Y474 I475L251-L289 HydrophobicContact CD1-CB 4.42Å; L251-L289 HydrophobicContact CD1-CD1 4.47Å; L251-L289 HydrophobicContact CD2-CD1 3.99Å; F285-L289 HydrophobicContact CE1-CD2 4.46Å; F285-L289 WeakPolarHBondContact O-CB 3.43Å; F285-L289 PolarHBondContact O-N 3.41Å; V286-L289 PolarHBondContact O-N 3.43Å; L289-L291 VanDerWaalsContact C-N 3.31Å; L289-L291 PolarHBondContact O-N 2.86Å; L289-V292 PolarHBondContact O-N 3.47Å; L289-W293 PolarHBondContact O-N 3Å; L289-F400 HydrophobicContact CD2-CE1 4.18Å; L289-F400 HydrophobicContact CD2-CZ 4.04Å; L289-Y474 HydrophobicContact CD1-CE1 4.17Å; L289-I475 HydrophobicContact CD1-CD1 4.22Å
290L91.2Very high89.4Confident40 Ų4021 Ų2121%0.20911%0.112CC..Hα-helixtrans-62.5-38.3175.2-65.2175.5000111.9V286 A287 V288 W293 L294 I318 Y365V286-L290 HydrophobicContact CG1-CD1 4.42Å; V286-L290 WeakPolarHBondContact O-CG 3.16Å; V286-L290 PolarHBondContact O-N 3.28Å; V286-L290 VanDerWaalsContact O-N 3.08Å; A287-L290 PolarHBondContact O-N 3Å; V288-L290 PolarHBondContact O-N 2.89Å; L290-W293 HydrophobicContact CD2-CE3 4.2Å; L290-W293 HydrophobicContact CD2-CZ3 4.29Å; L290-W293 PolarHBondContact O-N 2.96Å; L290-L294 PolarHBondContact O-N 3.39Å; L290-I318 HydrophobicContact CB-CD1 4.08Å; L290-Y365 HydrophobicContact CB-CE2 3.94Å; L290-Y365 HydrophobicContact CD2-CE1 3.94Å; L290-Y365 WeakPolarHBondContact CD2-OH 3.39Å; L290-Y365 PolarHBondContact O-OH 3.4Å
291L92.2Very high88.7Confident35 Ų3522.5 Ų22.518%0.18312%0.115CC..Hα-helixtrans-65.7-43.4177.1-179.463.5000111.3A287 V288 L289 W293 L294 C295 K314 I315 I318A287-L291 PolarHBondContact O-N 2.87Å; V288-L291 WeakPolarHBondContact O-CB 3.43Å; V288-L291 PolarHBondContact O-N 3.39Å; V288-L291 VanDerWaalsContact O-N 3.12Å; L289-L291 VanDerWaalsContact C-N 3.31Å; L289-L291 PolarHBondContact O-N 2.86Å; L291-W293 VanDerWaalsContact C-N 3.33Å; L291-W293 PolarHBondContact O-N 3.45Å; L291-L294 PolarHBondContact O-N 3.38Å; L291-C295 VanDerWaalsContact O-CB 3.32Å; L291-C295 WeakPolarHBondContact O-CB 3.28Å; L291-C295 PolarHBondContact O-N 2.66Å; L291-C295 PolarHBondContact O-SG 3.48Å; L291-K314 HydrophobicContact CD1-CB 3.61Å; L291-I315 HydrophobicContact CD1-CG1 4.13Å; L291-I315 HydrophobicContact CD2-CG1 3.92Å; L291-I318 HydrophobicContact CB-CD1 3.48Å; L291-I318 VanDerWaalsContact CB-CD1 3.48Å; L291-I318 HydrophobicContact CD1-CD1 3.9Å; L291-I318 HydrophobicContact CG-CD1 4.29Å
292V90.6Very high88Confident9 Ų923.8 Ų23.86%0.05512%0.122CC..Hα-helixtrans-59.5-45.4177.4167.30000110.3C247 V288 L289 L294 C295 I296C247-V292 HydrophobicContact CB-CB 4.28Å; C247-V292 HydrophobicContact CB-CG1 3.71Å; C247-V292 HydrophobicContact CB-CG2 3.66Å; V288-V292 HydrophobicContact CG1-CG2 4.15Å; V288-V292 WeakPolarHBondContact O-CB 3.33Å; V288-V292 VanDerWaalsContact O-CG2 3.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.47Å; V288-V292 PolarHBondContact O-N 3.36Å; L289-V292 PolarHBondContact O-N 3.47Å; V292-L294 PolarHBondContact O-N 3.05Å; V292-C295 PolarHBondContact O-N 2.9Å; V292-C295 VanDerWaalsContact O-N 3.16Å; V292-I296 HydrophobicContact CG1-CD1 3.56Å; V292-I296 HydrophobicContact CG1-CG1 4.17Å; V292-I296 WeakPolarHBondContact O-CG1 3.3Å; V292-I296 PolarHBondContact O-N 2.97Å
293W89.1Confident86.9Confident19 Ų1924.1 Ų24.17%0.07213%0.129CC..Hα-helixtrans-56.7-52175-77.3-2.5000112.3L289 L290 L291 C295 I296 F297 F369 F400 I401 Y474L289-W293 PolarHBondContact O-N 3Å; L290-W293 HydrophobicContact CD2-CE3 4.2Å; L290-W293 HydrophobicContact CD2-CZ3 4.29Å; L290-W293 PolarHBondContact O-N 2.96Å; L291-W293 VanDerWaalsContact C-N 3.33Å; L291-W293 PolarHBondContact O-N 3.45Å; W293-C295 VanDerWaalsContact C-N 3.26Å; W293-C295 PolarHBondContact O-N 2.84Å; W293-I296 PolarHBondContact O-N 2.74Å; W293-F297 WeakPolarHBondContact O-CD2 3.37Å; W293-F297 PolarHBondContact O-N 3.25Å; W293-F297 VanDerWaalsContact O-N 3.09Å; W293-F369 HydrophobicContact CB-CE2 4.09Å; W293-F400 AromaticContact CH2-CD1 3.52Å; W293-F400 HydrophobicContact CH2-CD1 3.52Å; W293-F400 AromaticContact CH2-CE1 3.63Å; W293-F400 HydrophobicContact CH2-CE1 3.63Å; W293-F400 AromaticContact CZ2-CD1 3.48Å; W293-F400 HydrophobicContact CZ2-CD1 3.48Å; W293-F400 VanDerWaalsContact CZ2-CD1 3.48Å; W293-F400 AromaticContact CZ2-CE1 3.66Å; W293-F400 HydrophobicContact CZ2-CE1 3.66Å; W293-F400 HydrophobicContact CZ2-CG 4.44Å; W293-I401 HydrophobicContact CH2-CD1 4.25Å; W293-I401 HydrophobicContact CH2-CG1 3.98Å; W293-I401 HydrophobicContact CZ3-CD1 4.22Å; W293-I401 HydrophobicContact CZ3-CG1 4.33Å; W293-Y474 AromaticContact NE1-CZ 3.71Å; W293-Y474 PolarHBondContact NE1-OH 3.44Å
294L90.3Very high85.9Confident5 Ų531.8 Ų31.83%0.02616%0.162CC..Hα-helixtrans-59.8-37.2176.1-70-179.1000112.8L290 L291 V292 H298 K314 I318 Y365 F369 L372L290-L294 PolarHBondContact O-N 3.39Å; L291-L294 PolarHBondContact O-N 3.38Å; V292-L294 PolarHBondContact O-N 3.05Å; L294-H298 WeakPolarHBondContact O-CB 3.29Å; L294-H298 PolarHBondContact O-N 3.36Å; L294-H298 VanDerWaalsContact O-N 3.14Å; L294-K314 HydrophobicContact CB-CD 4.13Å; L294-I318 HydrophobicContact CD1-CD1 4.05Å; L294-Y365 HydrophobicContact CD1-CD2 3.84Å; L294-Y365 HydrophobicContact CD1-CE2 3.47Å; L294-Y365 VanDerWaalsContact CD1-CE2 3.47Å; L294-Y365 HydrophobicContact CD2-CE2 4.03Å; L294-Y365 HydrophobicContact CG-CD2 4.35Å; L294-Y365 HydrophobicContact CG-CE2 3.59Å; L294-F369 HydrophobicContact CD2-CB 4.26Å; L294-F369 HydrophobicContact CD2-CD2 4.17Å; L294-L372 HydrophobicContact CD2-CD1 3.91Å
295C88.9Confident85Confident4 Ų435.1 Ų35.13%0.02717%0.172CC..Hα-helixtrans-68-44.8179.8-78.20000112.4I243 L291 V292 W293 G299I243-C295 HydrophobicContact CG2-CB 4.49Å; L291-C295 VanDerWaalsContact O-CB 3.32Å; L291-C295 WeakPolarHBondContact O-CB 3.28Å; L291-C295 PolarHBondContact O-N 2.66Å; L291-C295 PolarHBondContact O-SG 3.48Å; V292-C295 PolarHBondContact O-N 2.9Å; V292-C295 VanDerWaalsContact O-N 3.16Å; W293-C295 VanDerWaalsContact C-N 3.26Å; W293-C295 PolarHBondContact O-N 2.84Å; C295-G299 VanDerWaalsContact O-CA 3.3Å; C295-G299 WeakPolarHBondContact O-CA 3.14Å; C295-G299 PolarHBondContact O-N 3.15Å
296I86Confident84.3Confident5 Ų539.1 Ų39.13%0.02620%0.196CC..Hα-helixtrans-68.7-50.4-179.7-61.7171.2000110.1I243 E244 V292 W293 H298 G299 I300 L393I243-I296 HydrophobicContact CG2-CG1 4.45Å; E244-I296 HydrophobicContact CG-CD1 4.39Å; E244-I296 HydrophobicContact CG-CG1 4.25Å; E244-I296 HydrophobicContact CG-CG2 4.09Å; V292-I296 HydrophobicContact CG1-CD1 3.56Å; V292-I296 HydrophobicContact CG1-CG1 4.17Å; V292-I296 WeakPolarHBondContact O-CG1 3.3Å; V292-I296 PolarHBondContact O-N 2.97Å; W293-I296 PolarHBondContact O-N 2.74Å; I296-H298 VanDerWaalsContact C-N 3.31Å; I296-H298 PolarHBondContact O-N 3.48Å; I296-G299 PolarHBondContact O-N 2.84Å; I296-I300 HydrophobicContact CG2-CD1 4.35Å; I296-I300 WeakPolarHBondContact O-CG1 3.2Å; I296-I300 PolarHBondContact O-N 3.29Å; I296-L393 HydrophobicContact CB-CD2 4.12Å; I296-L393 HydrophobicContact CG2-CD2 3.34Å
297F84.7Confident83.8Confident4 Ų442.3 Ų42.32%0.01821%0.205CC..Hα-helixtrans-60.9-38.7-179.3-80.2-69.2000113.1W293 F369 F373 L390 L393 T394W293-F297 WeakPolarHBondContact O-CD2 3.37Å; W293-F297 PolarHBondContact O-N 3.25Å; W293-F297 VanDerWaalsContact O-N 3.09Å; F297-F369 HydrophobicContact CD2-CD2 4.35Å; F297-F369 AromaticContact CD2-CE2 3.43Å; F297-F369 HydrophobicContact CD2-CE2 3.43Å; F297-F369 VanDerWaalsContact CD2-CE2 3.43Å; F297-F369 AromaticContact CD2-CZ 3.91Å; F297-F369 HydrophobicContact CD2-CZ 3.91Å; F297-F369 AromaticContact CE2-CE2 3.5Å; F297-F369 HydrophobicContact CE2-CE2 3.5Å; F297-F369 AromaticContact CE2-CZ 3.53Å; F297-F369 HydrophobicContact CE2-CZ 3.53Å; F297-F369 HydrophobicContact CG-CE2 4.43Å; F297-F369 HydrophobicContact CZ-CZ 4.19Å; F297-F373 HydrophobicContact CE1-CD2 4.09Å; F297-L390 HydrophobicContact CD1-CD1 4.14Å; F297-L390 HydrophobicContact CE1-CD1 3.86Å; F297-L393 HydrophobicContact CD1-CD2 4.48Å; F297-L393 HydrophobicContact CD2-CD2 4.43Å; F297-L393 HydrophobicContact CE1-CD2 4.06Å; F297-L393 HydrophobicContact CE2-CD2 3.99Å; F297-L393 HydrophobicContact CE2-CG 4.37Å; F297-L393 HydrophobicContact CZ-CD2 3.79Å; F297-L393 HydrophobicContact CZ-CG 4.02Å; F297-T394 HydrophobicContact CE1-CG2 3.51Å; F297-T394 HydrophobicContact CZ-CG2 3.81Å
298H86Confident83.2Confident33 Ų3349 Ų4915%0.15324%0.236CC..Hα-helixtrans-75.7-35.7174.7-162.7170.3000111.8L294 I296 I300 R301 I302 F310 K314 L372L294-H298 WeakPolarHBondContact O-CB 3.29Å; L294-H298 PolarHBondContact O-N 3.36Å; L294-H298 VanDerWaalsContact O-N 3.14Å; I296-H298 VanDerWaalsContact C-N 3.31Å; I296-H298 PolarHBondContact O-N 3.48Å; H298-I300 VanDerWaalsContact C-N 3.29Å; H298-I300 PolarHBondContact O-N 3.47Å; H298-R301 PolarHBondContact CD2-NH2 2.88Å; H298-R301 PolarHBondContact NE2-NH2 3.11Å; H298-R301 PolarHBondContact O-N 2.87Å; H298-R301 VanDerWaalsContact O-N 3.13Å; H298-I302 WeakPolarHBondContact NE2-CD1 3.45Å; H298-F310 HydrophobicContact CB-CE2 3.9Å; H298-F310 HydrophobicContact CB-CZ 4.16Å; H298-F310 AromaticContact CD2-CE2 3.89Å; H298-F310 AromaticContact CG-CE2 3.61Å; H298-F310 AromaticContact ND1-CE2 3.97Å; H298-K314 WeakPolarHBondContact ND1-CE 3.36Å; H298-K314 PolarHBondContact ND1-NZ 3.29Å; H298-L372 HydrophobicContact CB-CD1 4.35Å; H298-L372 HydrophobicContact CB-CD2 4.26Å
299G82.1Confident82.8Confident4 Ų455.9 Ų55.94%0.04126%0.263CS..Hα-helixtrans-64-30.8-177.500000113.5C295 I296 R301 R305C295-G299 VanDerWaalsContact O-CA 3.3Å; C295-G299 WeakPolarHBondContact O-CA 3.14Å; C295-G299 PolarHBondContact O-N 3.15Å; I296-G299 PolarHBondContact O-N 2.84Å; G299-R301 PolarHBondContact O-N 3.18Å; G299-R305 PolarHBondContact O-NH2 2.92Å
300I77.6Confident82.5Confident19 Ų1955.5 Ų55.510%0.09726%0.261CS..THydrogen-bonded Turntrans-60.5-29.3174.9-65.7163.1000111.8I296 H298 L380 L390I296-I300 HydrophobicContact CG2-CD1 4.35Å; I296-I300 WeakPolarHBondContact O-CG1 3.2Å; I296-I300 PolarHBondContact O-N 3.29Å; H298-I300 VanDerWaalsContact C-N 3.29Å; H298-I300 PolarHBondContact O-N 3.47Å; I300-L380 HydrophobicContact CG2-CD1 3.58Å; I300-L380 HydrophobicContact CG2-CD2 3.88Å; I300-L380 HydrophobicContact CG2-CG 4.28Å; I300-L390 HydrophobicContact CD1-CD1 4.32Å
301R76Confident82.4Confident76 Ų7656.7 Ų56.729%0.28726%0.263SS..THydrogen-bonded Turntrans-89.7-29.8-174.8-176.5177.870.6-162.2-2.5114.4H298 G299 K379H298-R301 PolarHBondContact CD2-NH2 2.88Å; H298-R301 PolarHBondContact NE2-NH2 3.11Å; H298-R301 PolarHBondContact O-N 2.87Å; H298-R301 VanDerWaalsContact O-N 3.13Å; G299-R301 PolarHBondContact O-N 3.18Å; R301-K379 HydrophobicContact CG-CD 3.99Å
302I75.6Confident82.3Confident49 Ų4959.2 Ų59.225%0.25128%0.276SS..  trans-117.6117.4-165.8-60.4-174.2000109.2H298 K304 R305 F310H298-I302 WeakPolarHBondContact NE2-CD1 3.45Å; I302-K304 WeakPolarHBondContact CG2-O 3.46Å; I302-R305 HydrophobicContact CG2-CG 4.21Å; I302-R305 PolarHBondContact O-NE 3.29Å; I302-R305 PolarHBondContact O-NH2 3.48Å; I302-F310 HydrophobicContact CD1-CD2 4.44Å
303S67Low82.2Confident47 Ų4762.3 Ų62.333%0.32930%0.296SS..SBendtrans-74.5-53.6172.644.70000112D6 R305D6-S303 WeakPolarHBondContact OD2-CB 3.37Å; S303-R305 PolarHBondContact O-N 3.37Å
304K69.1Low82.3Confident179 Ų17962.1 Ų62.178%0.77830%0.296SS*.SBendtrans-84.2107.9-179-67.5-170.6178-175.30111.5I302I302-K304 WeakPolarHBondContact CG2-O 3.46Å
305R74Confident82.4Confident96 Ų9665 Ų6536%0.36231%0.311SS..  trans-115.8109.7-174.3-56.6172-163.2146.8-7.3109I243 G299 I302 S303 F310I243-R305 VanDerWaalsContact CD1-CD 3.46Å; G299-R305 PolarHBondContact O-NH2 2.92Å; I302-R305 HydrophobicContact CG2-CG 4.21Å; I302-R305 PolarHBondContact O-NE 3.29Å; I302-R305 PolarHBondContact O-NH2 3.48Å; S303-R305 PolarHBondContact O-N 3.37Å; R305-F310 HydrophobicContact CB-CB 4.33Å; R305-F310 HydrophobicContact CB-CD1 4.39Å; R305-F310 HydrophobicContact CB-CG 4.22Å; R305-F310 HydrophobicContact CG-CD1 4.49Å; R305-F310 HydrophobicContact CG-CD2 4.32Å; R305-F310 HydrophobicContact CG-CG 4.3Å
306T79.5Confident82.5Confident83 Ų8367.9 Ų67.951%0.50933%0.33SS..  trans-92.3142.3167.949.20000109.3Q308 K309 F310T306-Q308 VanDerWaalsContact C-N 3.3Å; T306-Q308 PolarHBondContact O-N 3.21Å; T306-K309 PolarHBondContact O-N 3.47Å; T306-K309 WeakPolarHBondContact OG1-CB 3.09Å; T306-F310 VanDerWaalsContact O-CB 3.27Å; T306-F310 WeakPolarHBondContact O-CB 3.16Å; T306-F310 PolarHBondContact O-N 3.29Å
307F80.4Confident82.7Confident129 Ų12969.3 Ų69.357%0.56634%0.337SS*.Iπ-helixtrans-54.9-46.8-176.8-178.9-99.2000112.6Y311 L312 I315F307-Y311 AromaticContact CD2-CD2 3.95Å; F307-Y311 HydrophobicContact CD2-CD2 3.95Å; F307-Y311 HydrophobicContact CD2-CG 4.36Å; F307-Y311 PolarHBondContact O-N 2.95Å; F307-L312 HydrophobicContact CE1-CD1 4.38Å; F307-L312 PolarHBondContact O-N 3.36Å; F307-I315 HydrophobicContact CZ-CD1 4.46Å
308Q81.5Confident83.1Confident147 Ų14769.7 Ų69.769%0.68734%0.339SS*.Iπ-helixtrans-68.4-35.8-177.1-67.5179.2-12.700114.4T306 L312 P313T306-Q308 VanDerWaalsContact C-N 3.3Å; T306-Q308 PolarHBondContact O-N 3.21Å; Q308-L312 WeakPolarHBondContact O-CB 3.33Å; Q308-P313 WeakPolarHBondContact O-CD 3.33Å
309K84.1Confident83.4Confident177 Ų17770.4 Ų70.477%0.7735%0.348SS*.Iπ-helixtrans-88.8-28.6-178.9-63.4-174.9177.8179.40112.5T306T306-K309 PolarHBondContact O-N 3.47Å; T306-K309 WeakPolarHBondContact OG1-CB 3.09Å
310F87.7Confident83.7Confident6 Ų674.4 Ų74.43%0.02637%0.367CS..Iπ-helixtrans-101.5-46.1-171.5-174.9-95.2000114.1I243 H298 I302 R305 T306 K314I243-F310 HydrophobicContact CD1-CE1 4.01Å; I243-F310 HydrophobicContact CD1-CZ 4.23Å; H298-F310 HydrophobicContact CB-CE2 3.9Å; H298-F310 HydrophobicContact CB-CZ 4.16Å; H298-F310 AromaticContact CD2-CE2 3.89Å; H298-F310 AromaticContact CG-CE2 3.61Å; H298-F310 AromaticContact ND1-CE2 3.97Å; I302-F310 HydrophobicContact CD1-CD2 4.44Å; R305-F310 HydrophobicContact CB-CB 4.33Å; R305-F310 HydrophobicContact CB-CD1 4.39Å; R305-F310 HydrophobicContact CB-CG 4.22Å; R305-F310 HydrophobicContact CG-CD1 4.49Å; R305-F310 HydrophobicContact CG-CD2 4.32Å; R305-F310 HydrophobicContact CG-CG 4.3Å; T306-F310 VanDerWaalsContact O-CB 3.27Å; T306-F310 WeakPolarHBondContact O-CB 3.16Å; T306-F310 PolarHBondContact O-N 3.29Å; F310-K314 WeakPolarHBondContact O-CD 3.48Å; F310-K314 VanDerWaalsContact O-CE 3.28Å; F310-K314 WeakPolarHBondContact O-CE 3.46Å; F310-K314 PolarHBondContact O-NZ 2.83Å
311Y87.9Confident84.3Confident65 Ų6575.9 Ų75.926%0.25537%0.373SS..Iπ-helixtrans-95.2-46.5-174.9-66.8-70.5000111.8I243 F307 K314 I315I243-Y311 WeakPolarHBondContact CD1-OH 3.29Å; F307-Y311 AromaticContact CD2-CD2 3.95Å; F307-Y311 HydrophobicContact CD2-CD2 3.95Å; F307-Y311 HydrophobicContact CD2-CG 4.36Å; F307-Y311 PolarHBondContact O-N 2.95Å; Y311-K314 PolarHBondContact O-N 2.83Å; Y311-I315 WeakPolarHBondContact O-CG1 3.39Å; Y311-I315 PolarHBondContact O-N 3Å
312L89.8Confident85.1Confident88 Ų8875.4 Ų75.446%0.46137%0.371SS..Hα-helixtrans-52.3-45.5-174.6-169.178.2000114.2F307 Q308 K314 I315 C316F307-L312 HydrophobicContact CE1-CD1 4.38Å; F307-L312 PolarHBondContact O-N 3.36Å; Q308-L312 WeakPolarHBondContact O-CB 3.33Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.11Å; L312-I315 PolarHBondContact O-N 3.46Å; L312-C316 WeakPolarHBondContact O-CB 3.21Å; L312-C316 PolarHBondContact O-N 2.94Å
313P88.3Confident85.9Confident73 Ų7376.7 Ų76.747%0.47438%0.378SS..Hα-helixtrans-66.4-33.6-178.8-20.835000112.9Q308 L317Q308-P313 WeakPolarHBondContact O-CD 3.33Å; P313-L317 PolarHBondContact O-N 3.23Å; P313-L317 VanDerWaalsContact O-N 3.14Å
314K91.7Very high87Confident16 Ų1676 Ų767%0.0737%0.37CS..Hα-helixtrans-75.2-41.8179.3-58.9172.1-173.91380111.4L291 L294 H298 F310 Y311 L312 C316 L317 I318L291-K314 HydrophobicContact CD1-CB 3.61Å; L294-K314 HydrophobicContact CB-CD 4.13Å; H298-K314 WeakPolarHBondContact ND1-CE 3.36Å; H298-K314 PolarHBondContact ND1-NZ 3.29Å; F310-K314 WeakPolarHBondContact O-CD 3.48Å; F310-K314 VanDerWaalsContact O-CE 3.28Å; F310-K314 WeakPolarHBondContact O-CE 3.46Å; F310-K314 PolarHBondContact O-NZ 2.83Å; Y311-K314 PolarHBondContact O-N 2.83Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.11Å; K314-C316 VanDerWaalsContact C-N 3.33Å; K314-L317 PolarHBondContact O-N 3.4Å; K314-I318 PolarHBondContact O-N 3.42Å; K314-I318 VanDerWaalsContact O-N 3.1Å
315I92Very high87.9Confident66 Ų6668.9 Ų68.934%0.33834%0.34SS..Hα-helixtrans-61.1-46.1174.8-67.9171000109.3L291 F307 Y311 L312 L317 I318 S319L291-I315 HydrophobicContact CD1-CG1 4.13Å; L291-I315 HydrophobicContact CD2-CG1 3.92Å; F307-I315 HydrophobicContact CZ-CD1 4.46Å; Y311-I315 WeakPolarHBondContact O-CG1 3.39Å; Y311-I315 PolarHBondContact O-N 3Å; L312-I315 PolarHBondContact O-N 3.46Å; I315-L317 PolarHBondContact O-N 2.91Å; I315-I318 PolarHBondContact O-N 3.49Å; I315-S319 WeakPolarHBondContact O-CA 3.41Å; I315-S319 WeakPolarHBondContact O-CB 3.47Å; I315-S319 PolarHBondContact O-N 2.82Å
316C91.8Very high88.7Confident64 Ų6466.5 Ų66.543%0.43233%0.333SS..Hα-helixtrans-57.5-48.9177-172.90000111.4L312 K314 I318 S319 M320L312-C316 WeakPolarHBondContact O-CB 3.21Å; L312-C316 PolarHBondContact O-N 2.94Å; K314-C316 VanDerWaalsContact C-N 3.33Å; C316-I318 PolarHBondContact O-N 3.29Å; C316-S319 PolarHBondContact O-N 3.04Å; C316-M320 VanDerWaalsContact O-CG 3.31Å; C316-M320 WeakPolarHBondContact O-CG 3.27Å; C316-M320 PolarHBondContact O-N 3.39Å; C316-M320 VanDerWaalsContact O-N 3.15Å
317L90.5Very high89.3Confident35 Ų3567.4 Ų67.418%0.18333%0.334CS..Hα-helixtrans-57-46.9179.6-176.1149000112.8P313 K314 I315 I364 Y365 L368P313-L317 PolarHBondContact O-N 3.23Å; P313-L317 VanDerWaalsContact O-N 3.14Å; K314-L317 PolarHBondContact O-N 3.4Å; I315-L317 PolarHBondContact O-N 2.91Å; L317-I364 HydrophobicContact CD1-CG2 4.11Å; L317-Y365 HydrophobicContact CD2-CD2 3.91Å; L317-L368 HydrophobicContact CD1-CD1 3.3Å
318I92.5Very high89.6Confident11 Ų1162.7 Ų62.76%0.05631%0.314CS..Hα-helixtrans-78.7-35.1-176.6-69.6175.3000111.6A287 L290 L291 L294 K314 I315 C316 M320 F321 W322 Y365A287-I318 HydrophobicContact CB-CG2 3.76Å; A287-I318 WeakPolarHBondContact O-CG2 3.47Å; L290-I318 HydrophobicContact CB-CD1 4.08Å; L291-I318 HydrophobicContact CB-CD1 3.48Å; L291-I318 VanDerWaalsContact CB-CD1 3.48Å; L291-I318 HydrophobicContact CD1-CD1 3.9Å; L291-I318 HydrophobicContact CG-CD1 4.29Å; L294-I318 HydrophobicContact CD1-CD1 4.05Å; K314-I318 PolarHBondContact O-N 3.42Å; K314-I318 VanDerWaalsContact O-N 3.1Å; I315-I318 PolarHBondContact O-N 3.49Å; C316-I318 PolarHBondContact O-N 3.29Å; I318-M320 PolarHBondContact O-N 3.11Å; I318-F321 PolarHBondContact O-N 3.1Å; I318-W322 WeakPolarHBondContact O-CB 3.43Å; I318-W322 PolarHBondContact O-N 3.03Å; I318-Y365 HydrophobicContact CD1-CE2 4.3Å
319S91.3Very high89.8Confident48 Ų4856.6 Ų56.634%0.33629%0.286SS..Hα-helixtrans-61.5-32.6177.1-174.50000111.9I315 C316 L323I315-S319 WeakPolarHBondContact O-CA 3.41Å; I315-S319 WeakPolarHBondContact O-CB 3.47Å; I315-S319 PolarHBondContact O-N 2.82Å; C316-S319 PolarHBondContact O-N 3.04Å; S319-L323 WeakPolarHBondContact O-CB 3.33Å; S319-L323 PolarHBondContact O-N 3.13Å
320M89.9Confident90.1Very high89 Ų8949.5 Ų49.544%0.43826%0.258SS..Hα-helixtrans-64.5-44.3175.7-68.4-61.9150.800111.9C316 I318 I324C316-M320 VanDerWaalsContact O-CG 3.31Å; C316-M320 WeakPolarHBondContact O-CG 3.27Å; C316-M320 PolarHBondContact O-N 3.39Å; C316-M320 VanDerWaalsContact O-N 3.15Å; I318-M320 PolarHBondContact O-N 3.11Å; M320-I324 PolarHBondContact O-N 3.32Å
321F88.9Confident90.2Very high50 Ų5053.4 Ų53.422%0.21927%0.272CS..Hα-helixtrans-65.8-47.1175.3173-96.2000111.7I318 L323 I324 I325 I358I318-F321 PolarHBondContact O-N 3.1Å; F321-L323 PolarHBondContact O-N 3.02Å; F321-I324 PolarHBondContact O-N 3.24Å; F321-I325 HydrophobicContact CD1-CD1 3.98Å; F321-I325 HydrophobicContact CD2-CD1 3.98Å; F321-I325 HydrophobicContact CE1-CD1 3.38Å; F321-I325 HydrophobicContact CE2-CD1 3.39Å; F321-I325 HydrophobicContact CE2-CG1 4.39Å; F321-I325 HydrophobicContact CG-CD1 4.26Å; F321-I325 HydrophobicContact CZ-CD1 3.07Å; F321-I325 HydrophobicContact CZ-CG1 4.38Å; F321-I325 WeakPolarHBondContact O-CG1 3.25Å; F321-I325 PolarHBondContact O-N 2.92Å; F321-I325 VanDerWaalsContact O-N 3.17Å; F321-I358 HydrophobicContact CD2-CG1 4.26Å; F321-I358 HydrophobicContact CE2-CB 4.32Å; F321-I358 HydrophobicContact CE2-CD1 4.4Å; F321-I358 HydrophobicContact CE2-CG1 3.85Å; F321-I358 HydrophobicContact CE2-CG2 3.93Å
322W93.2Very high90Very high66 Ų6651.6 Ų51.625%0.2527%0.266CS..Hα-helixtrans-58-46.7179.3177.186.6000111.9I283 T284 A287 I318 I324 F326I283-W322 HydrophobicContact CG2-CG 4.43Å; T284-W322 HydrophobicContact CG2-CZ2 3.8Å; A287-W322 HydrophobicContact CB-CB 4.11Å; A287-W322 HydrophobicContact CB-CG 4.23Å; I318-W322 WeakPolarHBondContact O-CB 3.43Å; I318-W322 PolarHBondContact O-N 3.03Å; W322-I324 PolarHBondContact O-N 3.03Å; W322-F326 HydrophobicContact CH2-CD1 4.16Å; W322-F326 HydrophobicContact CH2-CG 4.34Å; W322-F326 HydrophobicContact CZ2-CB 4.48Å; W322-F326 HydrophobicContact CZ2-CG 4.29Å; W322-F326 WeakPolarHBondContact O-CB 3.17Å; W322-F326 PolarHBondContact O-N 3.47Å
323L92.5Very high89.8Confident75 Ų7547.8 Ų47.839%0.39325%0.246SC..Hα-helixtrans-63.2-44.2-177.2-175.9156.2000111.4S319 F321 F326 L327S319-L323 WeakPolarHBondContact O-CB 3.33Å; S319-L323 PolarHBondContact O-N 3.13Å; F321-L323 PolarHBondContact O-N 3.02Å; L323-F326 PolarHBondContact O-N 2.93Å; L323-L327 HydrophobicContact CD2-CD1 3.43Å; L323-L327 VanDerWaalsContact CD2-CD1 3.43Å; L323-L327 HydrophobicContact CD2-CG 4.01Å; L323-L327 HydrophobicContact CG-CD1 4.43Å; L323-L327 WeakPolarHBondContact O-CB 3.24Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.38Å; L323-L327 PolarHBondContact O-N 2.9Å
324I89.9Confident89.8Confident34 Ų3449.5 Ų49.517%0.17424%0.244CC..Hα-helixtrans-67.9-44.4-178.1-77.2162.5000111.6M320 F321 W322 F326 L327 I328 F357M320-I324 PolarHBondContact O-N 3.32Å; F321-I324 PolarHBondContact O-N 3.24Å; W322-I324 PolarHBondContact O-N 3.03Å; I324-F326 VanDerWaalsContact C-N 3.33Å; I324-F326 PolarHBondContact O-N 2.74Å; I324-L327 PolarHBondContact O-N 3.36Å; I324-I328 HydrophobicContact CG2-CD1 3.77Å; I324-I328 WeakPolarHBondContact O-CD1 3.36Å; I324-I328 VanDerWaalsContact O-CG1 3.28Å; I324-I328 WeakPolarHBondContact O-CG1 3.44Å; I324-I328 PolarHBondContact O-N 3.18Å; I324-F357 HydrophobicContact CB-CE1 4.45Å; I324-F357 HydrophobicContact CD1-CD1 3.64Å; I324-F357 HydrophobicContact CD1-CD2 3.97Å; I324-F357 HydrophobicContact CD1-CE1 3.1Å; I324-F357 HydrophobicContact CD1-CE2 3.43Å; I324-F357 VanDerWaalsContact CD1-CE2 3.43Å; I324-F357 HydrophobicContact CD1-CG 4.07Å; I324-F357 HydrophobicContact CD1-CZ 2.98Å; I324-F357 HydrophobicContact CG1-CE1 4.32Å; I324-F357 HydrophobicContact CG1-CZ 4.44Å; I324-F357 HydrophobicContact CG2-CD1 4.29Å
325I87.8Confident89.5Confident29 Ų2949.8 Ų49.815%0.14925%0.247CC..Hα-helixtrans-63.5-43.7176.5-67.8-176.2000110.7I283 F321 I328 I329 I358I283-I325 HydrophobicContact CD1-CG2 3.94Å; I283-I325 HydrophobicContact CG1-CG2 3.94Å; I283-I325 HydrophobicContact CG2-CB 4.29Å; I283-I325 HydrophobicContact CG2-CG2 3.89Å; F321-I325 HydrophobicContact CD1-CD1 3.98Å; F321-I325 HydrophobicContact CD2-CD1 3.98Å; F321-I325 HydrophobicContact CE1-CD1 3.38Å; F321-I325 HydrophobicContact CE2-CD1 3.39Å; F321-I325 HydrophobicContact CE2-CG1 4.39Å; F321-I325 HydrophobicContact CG-CD1 4.26Å; F321-I325 HydrophobicContact CZ-CD1 3.07Å; F321-I325 HydrophobicContact CZ-CG1 4.38Å; F321-I325 WeakPolarHBondContact O-CG1 3.25Å; F321-I325 PolarHBondContact O-N 2.92Å; F321-I325 VanDerWaalsContact O-N 3.17Å; I325-I328 PolarHBondContact O-N 3.41Å; I325-I329 HydrophobicContact CG2-CD1 3.61Å; I325-I329 HydrophobicContact CG2-CG1 4.39Å; I325-I329 WeakPolarHBondContact O-CB 3.25Å; I325-I329 WeakPolarHBondContact O-CG1 3.35Å; I325-I329 PolarHBondContact O-N 3.2Å; I325-I358 HydrophobicContact CD1-CD1 4.04Å; I325-I358 HydrophobicContact CD1-CG1 4.49Å; I325-I358 HydrophobicContact CG1-CD1 4.17Å
326F91.5Very high89Confident46 Ų4647.7 Ų47.720%0.20224%0.236CC..Hα-helixtrans-60.6-48.2177.6178-112000111.7L280 W322 L323 I324 I328 I329 T330L280-F326 HydrophobicContact CB-CD2 4.38Å; L280-F326 HydrophobicContact CB-CE2 3.95Å; L280-F326 HydrophobicContact CD1-CD2 4.43Å; L280-F326 HydrophobicContact CD1-CE2 3.6Å; L280-F326 HydrophobicContact CD1-CZ 3.86Å; L280-F326 HydrophobicContact CG-CD2 4.44Å; L280-F326 HydrophobicContact CG-CE2 4.01Å; W322-F326 HydrophobicContact CH2-CD1 4.16Å; W322-F326 HydrophobicContact CH2-CG 4.34Å; W322-F326 HydrophobicContact CZ2-CB 4.48Å; W322-F326 HydrophobicContact CZ2-CG 4.29Å; W322-F326 WeakPolarHBondContact O-CB 3.17Å; W322-F326 PolarHBondContact O-N 3.47Å; L323-F326 PolarHBondContact O-N 2.93Å; I324-F326 VanDerWaalsContact C-N 3.33Å; I324-F326 PolarHBondContact O-N 2.74Å; F326-I328 VanDerWaalsContact C-N 3.35Å; F326-I328 PolarHBondContact O-N 3.42Å; F326-I329 PolarHBondContact O-N 3.32Å; F326-T330 VanDerWaalsContact CE2-OG1 3.29Å; F326-T330 WeakPolarHBondContact CE2-OG1 3.36Å; F326-T330 WeakPolarHBondContact CZ-OG1 2.9Å; F326-T330 WeakPolarHBondContact O-CB 3.48Å; F326-T330 PolarHBondContact O-N 3.37Å; F326-T330 PolarHBondContact O-OG1 3.45Å
327L91.7Very high88.5Confident101 Ų10147.8 Ų47.853%0.52923%0.23SC..Hα-helixtrans-59.1-44177.9-74.7-178000112.5L323 I324 W331L323-L327 HydrophobicContact CD2-CD1 3.43Å; L323-L327 VanDerWaalsContact CD2-CD1 3.43Å; L323-L327 HydrophobicContact CD2-CG 4.01Å; L323-L327 HydrophobicContact CG-CD1 4.43Å; L323-L327 WeakPolarHBondContact O-CB 3.24Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.38Å; L323-L327 PolarHBondContact O-N 2.9Å; I324-L327 PolarHBondContact O-N 3.36Å; L327-W331 VanDerWaalsContact O-CB 3.3Å; L327-W331 WeakPolarHBondContact O-CB 3.29Å; L327-W331 PolarHBondContact O-N 3.01Å
328I87.7Confident88.1Confident31 Ų3151.3 Ų51.316%0.15925%0.245CC..Hα-helixtrans-65.5-43.4179.5-68.5163.7000110.8I324 I325 F326 W331 K332 T354I324-I328 HydrophobicContact CG2-CD1 3.77Å; I324-I328 WeakPolarHBondContact O-CD1 3.36Å; I324-I328 VanDerWaalsContact O-CG1 3.28Å; I324-I328 WeakPolarHBondContact O-CG1 3.44Å; I324-I328 PolarHBondContact O-N 3.18Å; I325-I328 PolarHBondContact O-N 3.41Å; F326-I328 VanDerWaalsContact C-N 3.35Å; F326-I328 PolarHBondContact O-N 3.42Å; I328-W331 PolarHBondContact O-N 2.93Å; I328-K332 WeakPolarHBondContact O-CB 3.34Å; I328-K332 PolarHBondContact O-N 3.43Å; I328-T354 HydrophobicContact CD1-CG2 3.45Å; I328-T354 VanDerWaalsContact CD1-CG2 3.45Å; I328-T354 WeakPolarHBondContact CD1-OG1 3.21Å
329I85.9Confident87.5Confident19 Ų1955.9 Ų55.910%0.09727%0.266CS..Hα-helixtrans-71.1-40.2-179.4-68.6172.9000111.1Y279 I283 I325 F326 W331 K332 V333Y279-I329 HydrophobicContact CD1-CG2 4.01Å; Y279-I329 HydrophobicContact CD2-CG2 3.85Å; Y279-I329 HydrophobicContact CG-CG2 3.51Å; I283-I329 HydrophobicContact CD1-CB 4.39Å; I283-I329 HydrophobicContact CD1-CD1 3.54Å; I283-I329 HydrophobicContact CD1-CG1 4.49Å; I283-I329 HydrophobicContact CG1-CD1 4.08Å; I325-I329 HydrophobicContact CG2-CD1 3.61Å; I325-I329 HydrophobicContact CG2-CG1 4.39Å; I325-I329 WeakPolarHBondContact O-CB 3.25Å; I325-I329 WeakPolarHBondContact O-CG1 3.35Å; I325-I329 PolarHBondContact O-N 3.2Å; F326-I329 PolarHBondContact O-N 3.32Å; I329-W331 VanDerWaalsContact C-N 3.32Å; I329-W331 PolarHBondContact O-N 2.96Å; I329-K332 WeakPolarHBondContact O-CB 3.31Å; I329-K332 PolarHBondContact O-N 3.46Å; I329-V333 HydrophobicContact CG2-CG2 4.13Å; I329-V333 WeakPolarHBondContact O-CB 3.42Å; I329-V333 VanDerWaalsContact O-CG2 3.27Å; I329-V333 WeakPolarHBondContact O-CG2 3.47Å; I329-V333 PolarHBondContact O-N 3.21Å
330T89.2Confident86.7Confident28 Ų2854.7 Ų54.717%0.17226%0.257CS..Hα-helixtrans-60.6-43.7173.1-63.10000111.2W272 C276 F326 Y334W272-T330 HydrophobicContact CH2-CG2 4.01Å; W272-T330 HydrophobicContact CZ3-CG2 3.91Å; C276-T330 PolarHBondContact SG-OG1 3.35Å; C276-T330 VanDerWaalsContact SG-OG1 3.36Å; F326-T330 VanDerWaalsContact CE2-OG1 3.29Å; F326-T330 WeakPolarHBondContact CE2-OG1 3.36Å; F326-T330 WeakPolarHBondContact CZ-OG1 2.9Å; F326-T330 WeakPolarHBondContact O-CB 3.48Å; F326-T330 PolarHBondContact O-N 3.37Å; F326-T330 PolarHBondContact O-OG1 3.45Å; T330-Y334 WeakPolarHBondContact O-CB 3.44Å; T330-Y334 PolarHBondContact O-N 2.85Å
331W89.7Confident86Confident87 Ų8751.2 Ų51.233%0.3324%0.241SC..Hα-helixtrans-61.5-46.8174.1174.472.4000111.6L327 I328 I329 V333 Y334 V335 F342 Y347 L350L327-W331 VanDerWaalsContact O-CB 3.3Å; L327-W331 WeakPolarHBondContact O-CB 3.29Å; L327-W331 PolarHBondContact O-N 3.01Å; I328-W331 PolarHBondContact O-N 2.93Å; I329-W331 VanDerWaalsContact C-N 3.32Å; I329-W331 PolarHBondContact O-N 2.96Å; W331-V333 PolarHBondContact O-N 3.27Å; W331-Y334 PolarHBondContact O-N 3.47Å; W331-V335 HydrophobicContact CD2-CG2 4.45Å; W331-V335 HydrophobicContact CZ2-CG2 4.35Å; W331-V335 WeakPolarHBondContact O-CG2 3.18Å; W331-V335 PolarHBondContact O-N 3.46Å; W331-F342 HydrophobicContact CH2-CE2 4.07Å; W331-F342 AromaticContact CH2-CZ 3.76Å; W331-F342 HydrophobicContact CH2-CZ 3.76Å; W331-F342 HydrophobicContact CZ2-CE2 4.47Å; W331-F342 HydrophobicContact CZ2-CZ 4.45Å; W331-F342 AromaticContact CZ3-CZ 3.93Å; W331-F342 HydrophobicContact CZ3-CZ 3.93Å; W331-Y347 HydrophobicContact CH2-CD1 4.2Å; W331-Y347 HydrophobicContact CH2-CD2 4.13Å; W331-Y347 HydrophobicContact CH2-CE1 4.39Å; W331-Y347 HydrophobicContact CH2-CE2 4.35Å; W331-Y347 HydrophobicContact CH2-CG 4.06Å; W331-L350 HydrophobicContact CE3-CD2 3.97Å; W331-L350 HydrophobicContact CH2-CD2 3.91Å; W331-L350 HydrophobicContact CZ3-CD2 3.46Å; W331-L350 VanDerWaalsContact CZ3-CD2 3.46Å
332K85.3Confident85.2Confident28 Ų2849.7 Ų49.712%0.12223%0.234CC..Hα-helixtrans-54.4-56.2176-174-152.9166.3-160.60110.8I328 I329 Y334 V335 E336 F342 I344I328-K332 WeakPolarHBondContact O-CB 3.34Å; I328-K332 PolarHBondContact O-N 3.43Å; I329-K332 WeakPolarHBondContact O-CB 3.31Å; I329-K332 PolarHBondContact O-N 3.46Å; K332-Y334 VanDerWaalsContact C-N 3.28Å; K332-Y334 PolarHBondContact O-N 2.9Å; K332-V335 PolarHBondContact O-N 3.32Å; K332-E336 VanDerWaalsContact CE-OE1 3.27Å; K332-E336 WeakPolarHBondContact CE-OE1 3.44Å; K332-E336 WeakPolarHBondContact CE-OE2 3.22Å; K332-E336 IonicContact NZ-OE1 3.19Å; K332-E336 PolarHBondContact NZ-OE1 3.49Å; K332-E336 VanDerWaalsContact NZ-OE1 3.15Å; K332-E336 IonicContact NZ-OE2 3.61Å; K332-E336 PolarHBondContact NZ-OE2 3.22Å; K332-E336 WeakPolarHBondContact O-CB 3.26Å; K332-E336 PolarHBondContact O-N 2.94Å; K332-F342 HydrophobicContact CG-CE1 4.1Å; K332-I344 HydrophobicContact CG-CD1 4.26Å
333V84Confident84.1Confident7 Ų747.5 Ų47.54%0.04223%0.227CC..Hα-helixtrans-61.9-37.8-177.51720000111.5W272 C276 Y279 I329 W331 H337W272-V333 HydrophobicContact CE3-CG1 4.32Å; C276-V333 HydrophobicContact CB-CG1 4.25Å; Y279-V333 HydrophobicContact CD2-CG2 3.64Å; Y279-V333 HydrophobicContact CE2-CG2 3.48Å; Y279-V333 VanDerWaalsContact CE2-CG2 3.48Å; I329-V333 HydrophobicContact CG2-CG2 4.13Å; I329-V333 WeakPolarHBondContact O-CB 3.42Å; I329-V333 VanDerWaalsContact O-CG2 3.27Å; I329-V333 WeakPolarHBondContact O-CG2 3.47Å; I329-V333 PolarHBondContact O-N 3.21Å; W331-V333 PolarHBondContact O-N 3.27Å; V333-H337 VanDerWaalsContact O-CB 3.28Å; V333-H337 WeakPolarHBondContact O-CB 3.37Å; V333-H337 PolarHBondContact O-N 3.49Å
334Y88.2Confident83Confident109 Ų10944.9 Ų44.943%0.42721%0.213SC..Hα-helixtrans-64-47.5176.6176.6-99.4000111.8W272 T330 W331 K332 H338W272-Y334 HydrophobicContact CD2-CD2 4.41Å; W272-Y334 HydrophobicContact CZ2-CD2 4.47Å; W272-Y334 AromaticContact NE1-CD2 3.92Å; T330-Y334 WeakPolarHBondContact O-CB 3.44Å; T330-Y334 PolarHBondContact O-N 2.85Å; W331-Y334 PolarHBondContact O-N 3.47Å; K332-Y334 VanDerWaalsContact C-N 3.28Å; K332-Y334 PolarHBondContact O-N 2.9Å; Y334-H338 AromaticContact CE1-CD2 3.94Å; Y334-H338 AromaticContact CE2-CD2 3.63Å; Y334-H338 AromaticContact CE2-NE2 3.33Å; Y334-H338 VanDerWaalsContact CE2-NE2 3.33Å; Y334-H338 WeakPolarHBondContact CE2-NE2 3.48Å; Y334-H338 AromaticContact CZ-CD2 3.54Å; Y334-H338 AromaticContact CZ-NE2 3.5Å; Y334-H338 PolarHBondContact O-CD2 3.19Å; Y334-H338 VanDerWaalsContact O-CD2 3.25Å; Y334-H338 PolarHBondContact O-N 3.15Å
335V86.4Confident81.9Confident22 Ų2244.5 Ų44.513%0.13321%0.212CC..Hα-helixtrans-69.3-44.9179.3178.90000111W331 K332 H337 H338 E339 F342W331-V335 HydrophobicContact CD2-CG2 4.45Å; W331-V335 HydrophobicContact CZ2-CG2 4.35Å; W331-V335 WeakPolarHBondContact O-CG2 3.18Å; W331-V335 PolarHBondContact O-N 3.46Å; K332-V335 PolarHBondContact O-N 3.32Å; V335-H337 PolarHBondContact O-N 3.46Å; V335-H338 PolarHBondContact O-N 3.35Å; V335-E339 PolarHBondContact O-N 2.87Å; V335-F342 HydrophobicContact CB-CD2 4.3Å; V335-F342 HydrophobicContact CB-CE2 4.34Å; V335-F342 HydrophobicContact CB-CG 4.44Å; V335-F342 HydrophobicContact CG1-CB 4.13Å; V335-F342 HydrophobicContact CG1-CD1 4.32Å; V335-F342 HydrophobicContact CG1-CD2 3.31Å; V335-F342 HydrophobicContact CG1-CE2 3.66Å; V335-F342 HydrophobicContact CG1-CG 3.67Å; V335-F342 HydrophobicContact CG1-CZ 4.32Å
336E80.8Confident81Confident22 Ų2249.2 Ų49.210%0.10323%0.233CC..Hα-helixtrans-58-33.6177.7-171.9170.6-133.800112H162 K332 E339H162-E336 IonicContact CE1-OE1 2.98Å; H162-E336 PolarHBondContact CE1-OE1 3.07Å; H162-E336 IonicContact ND1-OE1 3.28Å; H162-E336 PolarHBondContact ND1-OE1 3.03Å; K332-E336 VanDerWaalsContact CE-OE1 3.27Å; K332-E336 WeakPolarHBondContact CE-OE1 3.44Å; K332-E336 WeakPolarHBondContact CE-OE2 3.22Å; K332-E336 IonicContact NZ-OE1 3.19Å; K332-E336 PolarHBondContact NZ-OE1 3.49Å; K332-E336 VanDerWaalsContact NZ-OE1 3.15Å; K332-E336 IonicContact NZ-OE2 3.61Å; K332-E336 PolarHBondContact NZ-OE2 3.22Å; K332-E336 WeakPolarHBondContact O-CB 3.26Å; K332-E336 PolarHBondContact O-N 2.94Å; E336-E339 CarbonylContact O-C 3.46Å
337H82.1Confident80.2Confident66 Ų6652.2 Ų52.231%0.30624%0.244SC..Hα-helixtrans-70.3-35174.7-176.971.2000113.7I270 W272 V333 V335I270-H337 PolarHBondContact O-CE1 2.93Å; I270-H337 PolarHBondContact O-NE2 3.33Å; W272-H337 HydrophobicContact CB-CB 3.84Å; V333-H337 VanDerWaalsContact O-CB 3.28Å; V333-H337 WeakPolarHBondContact O-CB 3.37Å; V333-H337 PolarHBondContact O-N 3.49Å; V335-H337 PolarHBondContact O-N 3.46Å
338H82.1Confident79.4Confident109 Ų10950 Ų5051%0.50524%0.235SC..Hα-helixtrans-86.9-31.4178.9-74.3-61.7000112.8Y334 V335Y334-H338 AromaticContact CE1-CD2 3.94Å; Y334-H338 AromaticContact CE2-CD2 3.63Å; Y334-H338 AromaticContact CE2-NE2 3.33Å; Y334-H338 VanDerWaalsContact CE2-NE2 3.33Å; Y334-H338 WeakPolarHBondContact CE2-NE2 3.48Å; Y334-H338 AromaticContact CZ-CD2 3.54Å; Y334-H338 AromaticContact CZ-NE2 3.5Å; Y334-H338 PolarHBondContact O-CD2 3.19Å; Y334-H338 VanDerWaalsContact O-CD2 3.25Å; Y334-H338 PolarHBondContact O-N 3.15Å; V335-H338 PolarHBondContact O-N 3.35Å
339E80Confident79.2Confident108 Ų10854.9 Ų54.951%0.50526%0.261SS..  trans-129.689.9-177.4-67.2-176.7-177.400109.8V335 E336 V341 F342V335-E339 PolarHBondContact O-N 2.87Å; E336-E339 CarbonylContact O-C 3.46Å; E339-V341 PolarHBondContact O-N 3.06Å; E339-V341 VanDerWaalsContact O-N 3.07Å; E339-F342 HydrophobicContact CB-CB 4.21Å; E339-F342 WeakPolarHBondContact O-CB 3.34Å; E339-F342 PolarHBondContact O-N 3.3Å
340P74.6Confident79Confident22 Ų2256.8 Ų56.814%0.14327%0.271CS..THydrogen-bonded Turntrans-68.5-5.4-179.127.3-38.7000115.2H142 F161 H162H142-P340 WeakPolarHBondContact NE2-CD 3.37Å; F161-P340 HydrophobicContact CD2-CB 4.19Å; F161-P340 HydrophobicContact CD2-CG 4.3Å; F161-P340 HydrophobicContact CE1-CB 3.92Å; F161-P340 HydrophobicContact CE1-CG 4.43Å; F161-P340 HydrophobicContact CE2-CB 3.53Å; F161-P340 HydrophobicContact CE2-CG 3.34Å; F161-P340 HydrophobicContact CZ-CB 3.36Å; F161-P340 HydrophobicContact CZ-CG 3.42Å; F161-P340 VanDerWaalsContact CZ-CG 3.42Å; H162-P340 PolarHBondContact N-O 3.38Å; H162-P340 VanDerWaalsContact O-CB 3.25Å; H162-P340 WeakPolarHBondContact O-CB 3.23Å
341V74.2Confident78.5Confident17 Ų1756 Ų5610%0.10327%0.266CS..THydrogen-bonded Turntrans-96.3-1.7173.3-178.30000111.3I108 H142 R144 F161 E339 D343I108-V341 HydrophobicContact CD1-CG2 4.38Å; H142-V341 HydrophobicContact CB-CB 4.19Å; H142-V341 HydrophobicContact CB-CG2 3.41Å; H142-V341 VanDerWaalsContact CB-CG2 3.41Å; R144-V341 HydrophobicContact CB-CG1 4.25Å; F161-V341 HydrophobicContact CD2-CG2 3.79Å; F161-V341 HydrophobicContact CE2-CG2 4.26Å; E339-V341 PolarHBondContact O-N 3.06Å; E339-V341 VanDerWaalsContact O-N 3.07Å; V341-D343 PolarHBondContact O-N 2.77Å
342F73.6Confident78.1Confident18 Ų1855 Ų558%0.07927%0.266CS..  trans-56.6132177.5174.8-100000111.2W331 K332 V335 E339 I344 Y347W331-F342 HydrophobicContact CH2-CE2 4.07Å; W331-F342 AromaticContact CH2-CZ 3.76Å; W331-F342 HydrophobicContact CH2-CZ 3.76Å; W331-F342 HydrophobicContact CZ2-CE2 4.47Å; W331-F342 HydrophobicContact CZ2-CZ 4.45Å; W331-F342 AromaticContact CZ3-CZ 3.93Å; W331-F342 HydrophobicContact CZ3-CZ 3.93Å; K332-F342 HydrophobicContact CG-CE1 4.1Å; V335-F342 HydrophobicContact CB-CD2 4.3Å; V335-F342 HydrophobicContact CB-CE2 4.34Å; V335-F342 HydrophobicContact CB-CG 4.44Å; V335-F342 HydrophobicContact CG1-CB 4.13Å; V335-F342 HydrophobicContact CG1-CD1 4.32Å; V335-F342 HydrophobicContact CG1-CD2 3.31Å; V335-F342 HydrophobicContact CG1-CE2 3.66Å; V335-F342 HydrophobicContact CG1-CG 3.67Å; V335-F342 HydrophobicContact CG1-CZ 4.32Å; E339-F342 HydrophobicContact CB-CB 4.21Å; E339-F342 WeakPolarHBondContact O-CB 3.34Å; E339-F342 PolarHBondContact O-N 3.3Å; F342-I344 HydrophobicContact CE1-CB 3.88Å; F342-I344 HydrophobicContact CE1-CG1 4.43Å; F342-I344 HydrophobicContact CZ-CB 4.15Å; F342-I344 HydrophobicContact CZ-CG1 4.36Å; F342-Y347 HydrophobicContact CD2-CE2 4.2Å; F342-Y347 AromaticContact CE2-CD2 3.88Å; F342-Y347 HydrophobicContact CE2-CD2 3.88Å; F342-Y347 AromaticContact CE2-CE2 3.41Å; F342-Y347 HydrophobicContact CE2-CE2 3.41Å; F342-Y347 VanDerWaalsContact CE2-CE2 3.41Å; F342-Y347 HydrophobicContact CZ-CD2 4.22Å; F342-Y347 HydrophobicContact CZ-CE2 4.19Å
343D69.1Low78.1Confident19 Ų1959.6 Ų59.610%0.10229%0.286CS..  trans-130.2113.9177.5178.71.4000108.3R144 F159 V341 L345 E346 N453R144-D343 IonicContact CZ-OD2 3.26Å; R144-D343 IonicContact NH1-OD2 3.15Å; R144-D343 PolarHBondContact NH1-OD2 3.11Å; R144-D343 IonicContact NH2-OD2 3.87Å; R144-D343 PolarHBondContact NH2-OD2 3Å; F159-D343 HydrophobicContact CD1-CB 4.41Å; V341-D343 PolarHBondContact O-N 2.77Å; D343-L345 PolarHBondContact O-N 3.09Å; D343-L345 VanDerWaalsContact O-N 3.12Å; D343-L345 WeakPolarHBondContact OD1-CB 3.34Å; D343-L345 WeakPolarHBondContact OD1-CG 3.48Å; D343-L345 PolarHBondContact OD1-N 2.98Å; D343-L345 VanDerWaalsContact OD1-N 3.09Å; D343-E346 PolarHBondContact O-N 2.74Å; D343-N453 PolarHBondContact OD1-ND2 3.39Å
344I69.7Low78Confident20 Ų2059.6 Ų59.610%0.10329%0.287CS..G310 helixtrans-63.7-19.6-175.8-165.9169.9000112.2K332 F342 E346 Y347 L351 N453K332-I344 HydrophobicContact CG-CD1 4.26Å; F342-I344 HydrophobicContact CE1-CB 3.88Å; F342-I344 HydrophobicContact CE1-CG1 4.43Å; F342-I344 HydrophobicContact CZ-CB 4.15Å; F342-I344 HydrophobicContact CZ-CG1 4.36Å; I344-E346 PolarHBondContact O-N 3.41Å; I344-Y347 PolarHBondContact O-N 3.04Å; I344-Y347 VanDerWaalsContact O-N 3.11Å; I344-L351 HydrophobicContact CD1-CD2 4.04Å; I344-L351 HydrophobicContact CG1-CD2 3.97Å; I344-L351 HydrophobicContact CG1-CG 4.46Å; I344-L351 WeakPolarHBondContact O-CD1 3.3Å; I344-N453 WeakPolarHBondContact CG2-OD1 3.28Å
345L65.6Low77.7Confident27 Ų2756.7 Ų56.714%0.14128%0.28CS..G310 helixtrans-63-26178-64.1173.4000113.6D343 Y347 T348 L351 Q449 F452 N453D343-L345 PolarHBondContact O-N 3.09Å; D343-L345 VanDerWaalsContact O-N 3.12Å; D343-L345 WeakPolarHBondContact OD1-CB 3.34Å; D343-L345 WeakPolarHBondContact OD1-CG 3.48Å; D343-L345 PolarHBondContact OD1-N 2.98Å; D343-L345 VanDerWaalsContact OD1-N 3.09Å; L345-Y347 PolarHBondContact O-N 2.62Å; L345-T348 WeakPolarHBondContact O-CG2 3.35Å; L345-L351 HydrophobicContact CD2-CD1 4.24Å; L345-Q449 WeakPolarHBondContact CD1-O 3.3Å; L345-Q449 WeakPolarHBondContact CD2-O 3.21Å; L345-F452 HydrophobicContact CD2-CB 4.16Å; L345-N453 HydrophobicContact CD1-CB 4.23Å; L345-N453 VanDerWaalsContact CD1-CG 3.48Å; L345-N453 WeakPolarHBondContact CD1-ND2 3.4Å; L345-N453 HydrophobicContact CD2-CB 4.47Å; L345-N453 WeakPolarHBondContact CD2-OD1 3.47Å; L345-N453 HydrophobicContact CG-CB 4.36Å; L345-N453 VanDerWaalsContact CG-ND2 3.26Å; L345-N453 WeakPolarHBondContact CG-ND2 3.48Å; L345-N453 WeakPolarHBondContact CG-OD1 3.15Å
346E68.9Low77.7Confident127 Ų12759.9 Ų59.959%0.59330%0.299SS*.G310 helixtrans-65.3-27178.7-157.5161155.400111R144 D343 I344 T348R144-E346 IonicContact CZ-OE2 3Å; R144-E346 IonicContact NE-OE2 3.81Å; R144-E346 IonicContact NH2-OE2 3.48Å; R144-E346 PolarHBondContact NH2-OE2 2.91Å; R144-E346 VanDerWaalsContact NH2-OE2 3.17Å; D343-E346 PolarHBondContact O-N 2.74Å; I344-E346 PolarHBondContact O-N 3.41Å; E346-T348 VanDerWaalsContact C-N 3.26Å; E346-T348 PolarHBondContact O-N 2.73Å; E346-T348 VanDerWaalsContact O-N 3.11Å
347Y76.4Confident78.1Confident110 Ų11060.4 Ų60.443%0.43130%0.301SS..  trans-89.650.1178.1-63.3-90.9000112.5W331 F342 I344 L345 N349 L350 L351W331-Y347 HydrophobicContact CH2-CD1 4.2Å; W331-Y347 HydrophobicContact CH2-CD2 4.13Å; W331-Y347 HydrophobicContact CH2-CE1 4.39Å; W331-Y347 HydrophobicContact CH2-CE2 4.35Å; W331-Y347 HydrophobicContact CH2-CG 4.06Å; F342-Y347 HydrophobicContact CD2-CE2 4.2Å; F342-Y347 AromaticContact CE2-CD2 3.88Å; F342-Y347 HydrophobicContact CE2-CD2 3.88Å; F342-Y347 AromaticContact CE2-CE2 3.41Å; F342-Y347 HydrophobicContact CE2-CE2 3.41Å; F342-Y347 VanDerWaalsContact CE2-CE2 3.41Å; F342-Y347 HydrophobicContact CZ-CD2 4.22Å; F342-Y347 HydrophobicContact CZ-CE2 4.19Å; I344-Y347 PolarHBondContact O-N 3.04Å; I344-Y347 VanDerWaalsContact O-N 3.11Å; L345-Y347 PolarHBondContact O-N 2.62Å; Y347-N349 VanDerWaalsContact C-N 3.25Å; Y347-N349 PolarHBondContact O-N 2.94Å; Y347-N349 VanDerWaalsContact O-N 3.13Å; Y347-L350 PolarHBondContact O-N 3.03Å; Y347-L351 PolarHBondContact O-N 2.82Å; Y347-L351 VanDerWaalsContact O-N 3.1Å
348T74.5Confident78.3Confident54 Ų5460 Ų6033%0.33130%0.3SS..Hα-helixtrans-49.4-41.5-178.353.90000113.7L345 E346 L350 L351 I352L345-T348 WeakPolarHBondContact O-CG2 3.35Å; E346-T348 VanDerWaalsContact C-N 3.26Å; E346-T348 PolarHBondContact O-N 2.73Å; E346-T348 VanDerWaalsContact O-N 3.11Å; T348-L350 PolarHBondContact O-N 3.1Å; T348-L351 PolarHBondContact O-N 3.25Å; T348-I352 WeakPolarHBondContact O-CB 3.22Å; T348-I352 WeakPolarHBondContact O-CD1 3.27Å; T348-I352 WeakPolarHBondContact O-CG1 3.45Å; T348-I352 PolarHBondContact O-N 3.04Å
349N82.8Confident78.5Confident133 Ų13358.5 Ų58.571%0.71130%0.302SS*.Hα-helixtrans-62.5-41.9179.2-69.7-33.3000112.9Y347 F353Y347-N349 VanDerWaalsContact C-N 3.25Å; Y347-N349 PolarHBondContact O-N 2.94Å; Y347-N349 VanDerWaalsContact O-N 3.13Å; N349-F353 WeakPolarHBondContact O-CB 3.25Å; N349-F353 PolarHBondContact O-N 3Å
350L82.5Confident79Confident60 Ų6058.1 Ų58.131%0.31430%0.303SS..Hα-helixtrans-67.7-41.7177.8-17966.7000110.7W331 Y347 T348 F353 T354W331-L350 HydrophobicContact CE3-CD2 3.97Å; W331-L350 HydrophobicContact CH2-CD2 3.91Å; W331-L350 HydrophobicContact CZ3-CD2 3.46Å; W331-L350 VanDerWaalsContact CZ3-CD2 3.46Å; Y347-L350 PolarHBondContact O-N 3.03Å; T348-L350 PolarHBondContact O-N 3.1Å; L350-F353 PolarHBondContact O-N 3.39Å; L350-T354 WeakPolarHBondContact O-CB 3.42Å; L350-T354 PolarHBondContact O-N 3.3Å; L350-T354 PolarHBondContact O-OG1 3.45Å
351L77.8Confident79.7Confident11 Ų1159.8 Ų59.86%0.05831%0.308CS..Hα-helixtrans-62.3-46.6176.2-69.8179.7000111.6I344 L345 Y347 T348 F353 T354 V355 F452I344-L351 HydrophobicContact CD1-CD2 4.04Å; I344-L351 HydrophobicContact CG1-CD2 3.97Å; I344-L351 HydrophobicContact CG1-CG 4.46Å; I344-L351 WeakPolarHBondContact O-CD1 3.3Å; L345-L351 HydrophobicContact CD2-CD1 4.24Å; Y347-L351 PolarHBondContact O-N 2.82Å; Y347-L351 VanDerWaalsContact O-N 3.1Å; T348-L351 PolarHBondContact O-N 3.25Å; L351-F353 PolarHBondContact O-N 3.41Å; L351-T354 WeakPolarHBondContact O-CB 3.33Å; L351-T354 PolarHBondContact O-N 3.38Å; L351-V355 VanDerWaalsContact O-CG2 3.29Å; L351-V355 WeakPolarHBondContact O-CG2 3.39Å; L351-V355 PolarHBondContact O-N 2.92Å; L351-F452 HydrophobicContact CD1-CB 3.91Å; L351-F452 HydrophobicContact CD1-CG 4.21Å; L351-F452 HydrophobicContact CD2-CB 4.13Å; L351-F452 HydrophobicContact CD2-CD1 3.53Å; L351-F452 HydrophobicContact CD2-CE1 4.16Å; L351-F452 HydrophobicContact CD2-CG 3.82Å; L351-F452 HydrophobicContact CG-CG 4.45Å
352I81.4Confident80.4Confident65 Ų6560.3 Ų60.333%0.33332%0.317SS..Hα-helixtrans-58.8-47.8176.2-69.2162.9000110.3T348 T354 V355 V356 L448T348-I352 WeakPolarHBondContact O-CB 3.22Å; T348-I352 WeakPolarHBondContact O-CD1 3.27Å; T348-I352 WeakPolarHBondContact O-CG1 3.45Å; T348-I352 PolarHBondContact O-N 3.04Å; I352-T354 VanDerWaalsContact C-N 3.3Å; I352-T354 PolarHBondContact O-N 3.23Å; I352-V355 PolarHBondContact O-N 2.58Å; I352-V356 HydrophobicContact CG2-CG2 4.35Å; I352-V356 VanDerWaalsContact O-CG2 3.28Å; I352-V356 WeakPolarHBondContact O-CG2 3.49Å; I352-V356 PolarHBondContact O-N 3.16Å; I352-L448 HydrophobicContact CG1-CD2 3.66Å
353F85.3Confident81.2Confident125 Ų12566.1 Ų66.155%0.54834%0.343SS..Hα-helixtrans-57.2-44.7176.9176.5-97.5000111.7N349 L350 L351 V356 F357N349-F353 WeakPolarHBondContact O-CB 3.25Å; N349-F353 PolarHBondContact O-N 3Å; L350-F353 PolarHBondContact O-N 3.39Å; L351-F353 PolarHBondContact O-N 3.41Å; F353-V356 PolarHBondContact O-N 3.38Å; F353-F357 HydrophobicContact CZ-CD2 4.47Å; F353-F357 VanDerWaalsContact O-CB 3.31Å; F353-F357 WeakPolarHBondContact O-CB 3.14Å; F353-F357 PolarHBondContact O-N 2.96Å
354T81.4Confident82.3Confident8 Ų868.4 Ų68.45%0.04935%0.354CS..Hα-helixtrans-63.1-45.4179.1-55.50000111.9I328 L350 L351 I352 F357 I358I328-T354 HydrophobicContact CD1-CG2 3.45Å; I328-T354 VanDerWaalsContact CD1-CG2 3.45Å; I328-T354 WeakPolarHBondContact CD1-OG1 3.21Å; L350-T354 WeakPolarHBondContact O-CB 3.42Å; L350-T354 PolarHBondContact O-N 3.3Å; L350-T354 PolarHBondContact O-OG1 3.45Å; L351-T354 WeakPolarHBondContact O-CB 3.33Å; L351-T354 PolarHBondContact O-N 3.38Å; I352-T354 VanDerWaalsContact C-N 3.3Å; I352-T354 PolarHBondContact O-N 3.23Å; T354-F357 PolarHBondContact O-N 2.78Å; T354-I358 HydrophobicContact CG2-CD1 3.78Å; T354-I358 HydrophobicContact CG2-CG1 4.4Å; T354-I358 WeakPolarHBondContact O-CB 3.31Å; T354-I358 VanDerWaalsContact O-CG1 3.28Å; T354-I358 WeakPolarHBondContact O-CG1 3.29Å; T354-I358 PolarHBondContact O-N 2.84Å
355V83.2Confident83.3Confident47 Ų4768.7 Ų68.729%0.28535%0.354SS..Hα-helixtrans-59.7-48.4176173.20000111.3L351 I352 F357 I358 S359 F452L351-V355 VanDerWaalsContact O-CG2 3.29Å; L351-V355 WeakPolarHBondContact O-CG2 3.39Å; L351-V355 PolarHBondContact O-N 2.92Å; I352-V355 PolarHBondContact O-N 2.58Å; V355-F357 VanDerWaalsContact C-N 3.31Å; V355-F357 PolarHBondContact O-N 3.15Å; V355-I358 PolarHBondContact O-N 3.36Å; V355-S359 WeakPolarHBondContact O-CB 2.96Å; V355-S359 PolarHBondContact O-N 3.13Å; V355-F452 HydrophobicContact CG2-CD2 4.25Å; V355-F452 HydrophobicContact CG2-CE1 4.34Å; V355-F452 HydrophobicContact CG2-CE2 3.07Å; V355-F452 HydrophobicContact CG2-CZ 3.13Å
356V86.5Confident84.5Confident89 Ų8971.3 Ų71.354%0.53937%0.371SS..Hα-helixtrans-62.7-42.9-179.4171.60000110.1I352 F353 S359 L360I352-V356 HydrophobicContact CG2-CG2 4.35Å; I352-V356 VanDerWaalsContact O-CG2 3.28Å; I352-V356 WeakPolarHBondContact O-CG2 3.49Å; I352-V356 PolarHBondContact O-N 3.16Å; F353-V356 PolarHBondContact O-N 3.38Å; V356-S359 PolarHBondContact O-N 3.26Å; V356-L360 VanDerWaalsContact O-CB 3.32Å; V356-L360 WeakPolarHBondContact O-CB 3.44Å; V356-L360 PolarHBondContact O-N 3.19Å
357F87.9Confident85.6Confident34 Ų3468.2 Ų68.215%0.14936%0.361CS..Hα-helixtrans-63-50.7177.3-169.6-81.8000111.9I324 F353 T354 V355 S359 L360 F361I324-F357 HydrophobicContact CB-CE1 4.45Å; I324-F357 HydrophobicContact CD1-CD1 3.64Å; I324-F357 HydrophobicContact CD1-CD2 3.97Å; I324-F357 HydrophobicContact CD1-CE1 3.1Å; I324-F357 HydrophobicContact CD1-CE2 3.43Å; I324-F357 VanDerWaalsContact CD1-CE2 3.43Å; I324-F357 HydrophobicContact CD1-CG 4.07Å; I324-F357 HydrophobicContact CD1-CZ 2.98Å; I324-F357 HydrophobicContact CG1-CE1 4.32Å; I324-F357 HydrophobicContact CG1-CZ 4.44Å; I324-F357 HydrophobicContact CG2-CD1 4.29Å; F353-F357 HydrophobicContact CZ-CD2 4.47Å; F353-F357 VanDerWaalsContact O-CB 3.31Å; F353-F357 WeakPolarHBondContact O-CB 3.14Å; F353-F357 PolarHBondContact O-N 2.96Å; T354-F357 PolarHBondContact O-N 2.78Å; V355-F357 VanDerWaalsContact C-N 3.31Å; V355-F357 PolarHBondContact O-N 3.15Å; F357-S359 VanDerWaalsContact C-N 3.29Å; F357-S359 PolarHBondContact O-N 3.02Å; F357-L360 PolarHBondContact O-N 3.34Å; F357-F361 AromaticContact CD1-CD2 3.78Å; F357-F361 HydrophobicContact CD1-CD2 3.78Å; F357-F361 HydrophobicContact CD1-CE2 4.27Å; F357-F361 HydrophobicContact CD2-CD2 4.04Å; F357-F361 AromaticContact CD2-CE2 3.8Å; F357-F361 HydrophobicContact CD2-CE2 3.8Å; F357-F361 AromaticContact CE1-CD2 3.34Å; F357-F361 HydrophobicContact CE1-CD2 3.34Å; F357-F361 AromaticContact CE1-CE2 3.66Å; F357-F361 HydrophobicContact CE1-CE2 3.66Å; F357-F361 AromaticContact CE1-CG 3.95Å; F357-F361 HydrophobicContact CE1-CG 3.95Å; F357-F361 HydrophobicContact CE1-CZ 4.45Å; F357-F361 AromaticContact CE2-CD2 3.69Å; F357-F361 HydrophobicContact CE2-CD2 3.69Å; F357-F361 AromaticContact CE2-CE2 3.14Å; F357-F361 HydrophobicContact CE2-CE2 3.14Å; F357-F361 AromaticContact CE2-CZ 3.94Å; F357-F361 HydrophobicContact CE2-CZ 3.94Å; F357-F361 HydrophobicContact CG-CD2 4.08Å; F357-F361 HydrophobicContact CG-CE2 4.31Å; F357-F361 AromaticContact CZ-CD2 3.28Å; F357-F361 HydrophobicContact CZ-CD2 3.28Å; F357-F361 HydrophobicContact CZ-CE1 4.39Å; F357-F361 AromaticContact CZ-CE2 3.03Å; F357-F361 HydrophobicContact CZ-CE2 3.03Å; F357-F361 HydrophobicContact CZ-CG 4.1Å; F357-F361 AromaticContact CZ-CZ 3.64Å; F357-F361 HydrophobicContact CZ-CZ 3.64Å; F357-F361 WeakPolarHBondContact O-CD2 3.26Å; F357-F361 PolarHBondContact O-N 3.36Å
358I86.3Confident86.3Confident56 Ų5666.7 Ų66.729%0.28736%0.36SS..Hα-helixtrans-59.4-41.7177-71.8174.3000110.8F321 I325 T354 V355 G362F321-I358 HydrophobicContact CD2-CG1 4.26Å; F321-I358 HydrophobicContact CE2-CB 4.32Å; F321-I358 HydrophobicContact CE2-CD1 4.4Å; F321-I358 HydrophobicContact CE2-CG1 3.85Å; F321-I358 HydrophobicContact CE2-CG2 3.93Å; I325-I358 HydrophobicContact CD1-CD1 4.04Å; I325-I358 HydrophobicContact CD1-CG1 4.49Å; I325-I358 HydrophobicContact CG1-CD1 4.17Å; T354-I358 HydrophobicContact CG2-CD1 3.78Å; T354-I358 HydrophobicContact CG2-CG1 4.4Å; T354-I358 WeakPolarHBondContact O-CB 3.31Å; T354-I358 VanDerWaalsContact O-CG1 3.28Å; T354-I358 WeakPolarHBondContact O-CG1 3.29Å; T354-I358 PolarHBondContact O-N 2.84Å; V355-I358 PolarHBondContact O-N 3.36Å; I358-G362 VanDerWaalsContact O-CA 3.29Å; I358-G362 WeakPolarHBondContact O-CA 3.18Å; I358-G362 PolarHBondContact O-N 3.14Å
359S86.7Confident87Confident78 Ų7865.7 Ų65.755%0.54535%0.351SS..Hα-helixtrans-65.3-44.7178.3-176.30000112V355 V356 F357 F363V355-S359 WeakPolarHBondContact O-CB 2.96Å; V355-S359 PolarHBondContact O-N 3.13Å; V356-S359 PolarHBondContact O-N 3.26Å; F357-S359 VanDerWaalsContact C-N 3.29Å; F357-S359 PolarHBondContact O-N 3.02Å; S359-F363 VanDerWaalsContact O-CB 3.24Å; S359-F363 WeakPolarHBondContact O-CB 3.47Å; S359-F363 PolarHBondContact O-N 3.36Å
360L90.5Very high87.2Confident100 Ų10062.3 Ų62.352%0.52434%0.335SS..Hα-helixtrans-63.3-53179.6-177.273.9000111.8V356 F357 F363 I364V356-L360 VanDerWaalsContact O-CB 3.32Å; V356-L360 WeakPolarHBondContact O-CB 3.44Å; V356-L360 PolarHBondContact O-N 3.19Å; F357-L360 PolarHBondContact O-N 3.34Å; L360-F363 PolarHBondContact O-N 2.85Å; L360-I364 WeakPolarHBondContact O-CG1 3.44Å; L360-I364 PolarHBondContact O-N 3.46Å; L360-I364 VanDerWaalsContact O-N 3.12Å
361F89Confident87.6Confident57 Ų5762.1 Ų62.125%0.2534%0.337CS..Hα-helixtrans-72.5-34.5-179.3-78.3-89.9000112.2F357 F363 I364 Y365F357-F361 AromaticContact CD1-CD2 3.78Å; F357-F361 HydrophobicContact CD1-CD2 3.78Å; F357-F361 HydrophobicContact CD1-CE2 4.27Å; F357-F361 HydrophobicContact CD2-CD2 4.04Å; F357-F361 AromaticContact CD2-CE2 3.8Å; F357-F361 HydrophobicContact CD2-CE2 3.8Å; F357-F361 AromaticContact CE1-CD2 3.34Å; F357-F361 HydrophobicContact CE1-CD2 3.34Å; F357-F361 AromaticContact CE1-CE2 3.66Å; F357-F361 HydrophobicContact CE1-CE2 3.66Å; F357-F361 AromaticContact CE1-CG 3.95Å; F357-F361 HydrophobicContact CE1-CG 3.95Å; F357-F361 HydrophobicContact CE1-CZ 4.45Å; F357-F361 AromaticContact CE2-CD2 3.69Å; F357-F361 HydrophobicContact CE2-CD2 3.69Å; F357-F361 AromaticContact CE2-CE2 3.14Å; F357-F361 HydrophobicContact CE2-CE2 3.14Å; F357-F361 AromaticContact CE2-CZ 3.94Å; F357-F361 HydrophobicContact CE2-CZ 3.94Å; F357-F361 HydrophobicContact CG-CD2 4.08Å; F357-F361 HydrophobicContact CG-CE2 4.31Å; F357-F361 AromaticContact CZ-CD2 3.28Å; F357-F361 HydrophobicContact CZ-CD2 3.28Å; F357-F361 HydrophobicContact CZ-CE1 4.39Å; F357-F361 AromaticContact CZ-CE2 3.03Å; F357-F361 HydrophobicContact CZ-CE2 3.03Å; F357-F361 HydrophobicContact CZ-CG 4.1Å; F357-F361 AromaticContact CZ-CZ 3.64Å; F357-F361 HydrophobicContact CZ-CZ 3.64Å; F357-F361 WeakPolarHBondContact O-CD2 3.26Å; F357-F361 PolarHBondContact O-N 3.36Å; F361-F363 VanDerWaalsContact C-N 3.34Å; F361-I364 PolarHBondContact O-N 3.41Å; F361-Y365 WeakPolarHBondContact O-CB 3.34Å; F361-Y365 PolarHBondContact O-N 2.87Å
362G88.4Confident88Confident28 Ų2862.7 Ų62.729%0.28934%0.34SS..Hα-helixtrans-60.9-41.7171.400000112I358 Y365 V366I358-G362 VanDerWaalsContact O-CA 3.29Å; I358-G362 WeakPolarHBondContact O-CA 3.18Å; I358-G362 PolarHBondContact O-N 3.14Å; G362-Y365 WeakPolarHBondContact O-CB 3.36Å; G362-Y365 PolarHBondContact O-N 3.36Å; G362-V366 WeakPolarHBondContact O-CG2 3Å; G362-V366 PolarHBondContact O-N 3.11Å
363F91.3Very high88.1Confident140 Ų14062.6 Ų62.661%0.61434%0.337SS*.Hα-helixtrans-62.2-46.6174.1179.7-100000111.8S359 L360 F361 Y365 V366 V367S359-F363 VanDerWaalsContact O-CB 3.24Å; S359-F363 WeakPolarHBondContact O-CB 3.47Å; S359-F363 PolarHBondContact O-N 3.36Å; L360-F363 PolarHBondContact O-N 2.85Å; F361-F363 VanDerWaalsContact C-N 3.34Å; F363-Y365 VanDerWaalsContact C-N 3.3Å; F363-Y365 PolarHBondContact O-N 3Å; F363-V366 PolarHBondContact O-N 3.25Å; F363-V367 HydrophobicContact CD1-CG2 4.17Å; F363-V367 HydrophobicContact CD2-CG2 4.43Å; F363-V367 HydrophobicContact CE1-CG2 3.76Å; F363-V367 HydrophobicContact CE2-CG2 4.05Å; F363-V367 HydrophobicContact CG-CG2 4.49Å; F363-V367 HydrophobicContact CZ-CG2 3.7Å; F363-V367 WeakPolarHBondContact O-CG2 2.98Å; F363-V367 PolarHBondContact O-N 2.82Å
364I91.5Very high88.2Confident67 Ų6761.4 Ų61.434%0.34434%0.335SS..Hα-helixtrans-57.7-45.3175.3-65.4167.1000110.5L317 L360 F361 V367 L368L317-I364 HydrophobicContact CD1-CG2 4.11Å; L360-I364 WeakPolarHBondContact O-CG1 3.44Å; L360-I364 PolarHBondContact O-N 3.46Å; L360-I364 VanDerWaalsContact O-N 3.12Å; F361-I364 PolarHBondContact O-N 3.41Å; I364-V367 PolarHBondContact O-N 2.93Å; I364-L368 HydrophobicContact CG2-CD1 3.86Å; I364-L368 HydrophobicContact CG2-CG 4.37Å; I364-L368 WeakPolarHBondContact O-CB 3.06Å; I364-L368 VanDerWaalsContact O-CG 3.25Å; I364-L368 WeakPolarHBondContact O-CG 3.38Å; I364-L368 PolarHBondContact O-N 2.84Å
365Y91.7Very high88.4Confident26 Ų2667.7 Ų67.710%0.10236%0.358CS..Hα-helixtrans-58.8-49.5177176-89000111.9L290 L294 L317 I318 F361 G362 F363 V367 L368 F369L290-Y365 HydrophobicContact CB-CE2 3.94Å; L290-Y365 HydrophobicContact CD2-CE1 3.94Å; L290-Y365 WeakPolarHBondContact CD2-OH 3.39Å; L290-Y365 PolarHBondContact O-OH 3.4Å; L294-Y365 HydrophobicContact CD1-CD2 3.84Å; L294-Y365 HydrophobicContact CD1-CE2 3.47Å; L294-Y365 VanDerWaalsContact CD1-CE2 3.47Å; L294-Y365 HydrophobicContact CD2-CE2 4.03Å; L294-Y365 HydrophobicContact CG-CD2 4.35Å; L294-Y365 HydrophobicContact CG-CE2 3.59Å; L317-Y365 HydrophobicContact CD2-CD2 3.91Å; I318-Y365 HydrophobicContact CD1-CE2 4.3Å; F361-Y365 WeakPolarHBondContact O-CB 3.34Å; F361-Y365 PolarHBondContact O-N 2.87Å; G362-Y365 WeakPolarHBondContact O-CB 3.36Å; G362-Y365 PolarHBondContact O-N 3.36Å; F363-Y365 VanDerWaalsContact C-N 3.3Å; F363-Y365 PolarHBondContact O-N 3Å; Y365-V367 PolarHBondContact O-N 2.95Å; Y365-L368 PolarHBondContact O-N 2.82Å; Y365-F369 HydrophobicContact CE1-CB 4.44Å; Y365-F369 VanDerWaalsContact O-CB 3.31Å; Y365-F369 WeakPolarHBondContact O-CB 3.33Å; Y365-F369 PolarHBondContact O-N 3.38Å
366V90.7Very high88.1Confident82 Ų8265.9 Ų65.950%0.49735%0.348SS..Hα-helixtrans-62.2-44.3-180171.50000111G362 F363 L368 F369 T370G362-V366 WeakPolarHBondContact O-CG2 3Å; G362-V366 PolarHBondContact O-N 3.11Å; F363-V366 PolarHBondContact O-N 3.25Å; V366-L368 PolarHBondContact O-N 3.2Å; V366-F369 PolarHBondContact O-N 3.3Å; V366-T370 WeakPolarHBondContact O-CB 3.37Å; V366-T370 PolarHBondContact O-N 3.26Å; V366-T370 PolarHBondContact O-OG1 3.23Å
367V92.3Very high87.8Confident63 Ų6364 Ų6438%0.38234%0.338SS..Hα-helixtrans-60.3-47.4176.6171.10000110.9F363 I364 Y365 F369 T370 V371F363-V367 HydrophobicContact CD1-CG2 4.17Å; F363-V367 HydrophobicContact CD2-CG2 4.43Å; F363-V367 HydrophobicContact CE1-CG2 3.76Å; F363-V367 HydrophobicContact CE2-CG2 4.05Å; F363-V367 HydrophobicContact CG-CG2 4.49Å; F363-V367 HydrophobicContact CZ-CG2 3.7Å; F363-V367 WeakPolarHBondContact O-CG2 2.98Å; F363-V367 PolarHBondContact O-N 2.82Å; I364-V367 PolarHBondContact O-N 2.93Å; Y365-V367 PolarHBondContact O-N 2.95Å; V367-F369 PolarHBondContact O-N 3.43Å; V367-T370 PolarHBondContact O-N 3.29Å; V367-V371 HydrophobicContact CG1-CG2 4.47Å; V367-V371 WeakPolarHBondContact O-CB 3.38Å; V367-V371 VanDerWaalsContact O-CG2 3.29Å; V367-V371 WeakPolarHBondContact O-CG2 3.33Å; V367-V371 PolarHBondContact O-N 3.43Å
368L90.6Very high87.4Confident77 Ų7769.1 Ų69.140%0.40336%0.362SS..Hα-helixtrans-61.3-45.1177.5-72.8172000111.8L317 I364 Y365 V366 V371 L372L317-L368 HydrophobicContact CD1-CD1 3.3Å; I364-L368 HydrophobicContact CG2-CD1 3.86Å; I364-L368 HydrophobicContact CG2-CG 4.37Å; I364-L368 WeakPolarHBondContact O-CB 3.06Å; I364-L368 VanDerWaalsContact O-CG 3.25Å; I364-L368 WeakPolarHBondContact O-CG 3.38Å; I364-L368 PolarHBondContact O-N 2.84Å; Y365-L368 PolarHBondContact O-N 2.82Å; V366-L368 PolarHBondContact O-N 3.2Å; L368-V371 PolarHBondContact O-N 3.21Å; L368-L372 WeakPolarHBondContact O-CB 3.23Å; L368-L372 VanDerWaalsContact O-CG 3.24Å; L368-L372 WeakPolarHBondContact O-CG 3.16Å; L368-L372 PolarHBondContact O-N 2.89Å
369F88.5Confident86.8Confident33 Ų3372 Ų7215%0.14537%0.372CS..Hα-helixtrans-60.3-48.7177.8-178-95.1000111.3W293 L294 F297 Y365 V366 V367 V371 L372 F373W293-F369 HydrophobicContact CB-CE2 4.09Å; L294-F369 HydrophobicContact CD2-CB 4.26Å; L294-F369 HydrophobicContact CD2-CD2 4.17Å; F297-F369 HydrophobicContact CD2-CD2 4.35Å; F297-F369 AromaticContact CD2-CE2 3.43Å; F297-F369 HydrophobicContact CD2-CE2 3.43Å; F297-F369 VanDerWaalsContact CD2-CE2 3.43Å; F297-F369 AromaticContact CD2-CZ 3.91Å; F297-F369 HydrophobicContact CD2-CZ 3.91Å; F297-F369 AromaticContact CE2-CE2 3.5Å; F297-F369 HydrophobicContact CE2-CE2 3.5Å; F297-F369 AromaticContact CE2-CZ 3.53Å; F297-F369 HydrophobicContact CE2-CZ 3.53Å; F297-F369 HydrophobicContact CG-CE2 4.43Å; F297-F369 HydrophobicContact CZ-CZ 4.19Å; Y365-F369 HydrophobicContact CE1-CB 4.44Å; Y365-F369 VanDerWaalsContact O-CB 3.31Å; Y365-F369 WeakPolarHBondContact O-CB 3.33Å; Y365-F369 PolarHBondContact O-N 3.38Å; V366-F369 PolarHBondContact O-N 3.3Å; V367-F369 PolarHBondContact O-N 3.43Å; F369-V371 PolarHBondContact O-N 3.09Å; F369-L372 WeakPolarHBondContact O-CB 3.43Å; F369-L372 PolarHBondContact O-N 3.3Å; F369-F373 WeakPolarHBondContact O-CB 3.1Å; F369-F373 PolarHBondContact O-N 3.28Å
370T88.2Confident85.8Confident62 Ų6268.7 Ų68.738%0.3835%0.349SS..Hα-helixtrans-62.7-42.7178.2-61.30000112.1V366 V367 L372 F373 I374V366-T370 WeakPolarHBondContact O-CB 3.37Å; V366-T370 PolarHBondContact O-N 3.26Å; V366-T370 PolarHBondContact O-OG1 3.23Å; V367-T370 PolarHBondContact O-N 3.29Å; T370-L372 VanDerWaalsContact C-N 3.32Å; T370-L372 PolarHBondContact O-N 3.29Å; T370-F373 PolarHBondContact O-N 2.94Å; T370-I374 HydrophobicContact CG2-CD1 3.78Å; T370-I374 HydrophobicContact CG2-CG1 4.32Å; T370-I374 VanDerWaalsContact O-CG1 3.31Å; T370-I374 WeakPolarHBondContact O-CG1 3.46Å; T370-I374 PolarHBondContact O-N 3.42Å
371V89.9Confident84.8Confident57 Ų5774.6 Ų74.635%0.34536%0.364SS..Hα-helixtrans-61.8-41.1175168.60000111.3V367 L368 F369 R375V367-V371 HydrophobicContact CG1-CG2 4.47Å; V367-V371 WeakPolarHBondContact O-CB 3.38Å; V367-V371 VanDerWaalsContact O-CG2 3.29Å; V367-V371 WeakPolarHBondContact O-CG2 3.33Å; V367-V371 PolarHBondContact O-N 3.43Å; L368-V371 PolarHBondContact O-N 3.21Å; F369-V371 PolarHBondContact O-N 3.09Å; V371-R375 HydrophobicContact CG1-CG 4.48Å; V371-R375 VanDerWaalsContact O-CB 3.27Å; V371-R375 WeakPolarHBondContact O-CB 3.32Å; V371-R375 WeakPolarHBondContact O-CG 3.37Å; V371-R375 PolarHBondContact O-N 3.43Å
372L86.8Confident83.8Confident23 Ų2379.8 Ų79.812%0.1239%0.387CS..Hα-helixtrans-65.3-43.2175.9-72173.5000111.6L294 H298 L368 F369 T370 R375 A376L294-L372 HydrophobicContact CD2-CD1 3.91Å; H298-L372 HydrophobicContact CB-CD1 4.35Å; H298-L372 HydrophobicContact CB-CD2 4.26Å; L368-L372 WeakPolarHBondContact O-CB 3.23Å; L368-L372 VanDerWaalsContact O-CG 3.24Å; L368-L372 WeakPolarHBondContact O-CG 3.16Å; L368-L372 PolarHBondContact O-N 2.89Å; F369-L372 WeakPolarHBondContact O-CB 3.43Å; F369-L372 PolarHBondContact O-N 3.3Å; T370-L372 VanDerWaalsContact C-N 3.32Å; T370-L372 PolarHBondContact O-N 3.29Å; L372-R375 PolarHBondContact O-N 3.33Å; L372-A376 WeakPolarHBondContact O-CB 3.49Å; L372-A376 PolarHBondContact O-N 3.43Å
373F84.4Confident82.7Confident63 Ų6382.1 Ų82.128%0.27639%0.392SS..Hα-helixtrans-60.7-52.6176.8176-92.9000111.9F297 F369 T370 R375 A376 C377 T394F297-F373 HydrophobicContact CE1-CD2 4.09Å; F369-F373 WeakPolarHBondContact O-CB 3.1Å; F369-F373 PolarHBondContact O-N 3.28Å; T370-F373 PolarHBondContact O-N 2.94Å; F373-R375 VanDerWaalsContact C-N 3.31Å; F373-R375 PolarHBondContact O-N 3.21Å; F373-A376 WeakPolarHBondContact O-CA 3.28Å; F373-A376 WeakPolarHBondContact O-CB 3.42Å; F373-A376 PolarHBondContact O-N 2.92Å; F373-C377 PolarHBondContact O-N 3.42Å; F373-C377 PolarHBondContact O-SG 3.5Å; F373-C377 VanDerWaalsContact O-SG 3.4Å; F373-T394 HydrophobicContact CD2-CG2 3.9Å; F373-T394 HydrophobicContact CE2-CG2 3.37Å; F373-T394 HydrophobicContact CZ-CG2 4.45Å
374I86.2Confident81.1Confident100 Ų10080.3 Ų80.351%0.51339%0.394SS..Hα-helixtrans-59.2-44.6178.9-66.8168.8000110.5T370 A376 C377 H378T370-I374 HydrophobicContact CG2-CD1 3.78Å; T370-I374 HydrophobicContact CG2-CG1 4.32Å; T370-I374 VanDerWaalsContact O-CG1 3.31Å; T370-I374 WeakPolarHBondContact O-CG1 3.46Å; T370-I374 PolarHBondContact O-N 3.42Å; I374-A376 VanDerWaalsContact C-N 3.31Å; I374-A376 PolarHBondContact O-N 2.68Å; I374-C377 PolarHBondContact O-N 3.27Å; I374-H378 WeakPolarHBondContact O-CB 3.15Å; I374-H378 PolarHBondContact O-N 3.06Å
375R85.4Confident79.4Confident140 Ų14085 Ų8553%0.52841%0.409SS..Hα-helixtrans-64.9-35177.5-74.3177.3176.5-176.6-3.9112.3V371 L372 F373 K379V371-R375 HydrophobicContact CG1-CG 4.48Å; V371-R375 VanDerWaalsContact O-CB 3.27Å; V371-R375 WeakPolarHBondContact O-CB 3.32Å; V371-R375 WeakPolarHBondContact O-CG 3.37Å; V371-R375 PolarHBondContact O-N 3.43Å; L372-R375 PolarHBondContact O-N 3.33Å; F373-R375 VanDerWaalsContact C-N 3.31Å; F373-R375 PolarHBondContact O-N 3.21Å; R375-K379 WeakPolarHBondContact O-CB 3.33Å; R375-K379 PolarHBondContact O-N 3.41Å; R375-K379 VanDerWaalsContact O-N 3.12Å
376A77.8Confident78Confident9 Ų984.9 Ų84.97%0.07441%0.409CS..Hα-helixtrans-63-55.9173.600000109.5L372 F373 I374 H378 K379 L380 L390L372-A376 WeakPolarHBondContact O-CB 3.49Å; L372-A376 PolarHBondContact O-N 3.43Å; F373-A376 WeakPolarHBondContact O-CA 3.28Å; F373-A376 WeakPolarHBondContact O-CB 3.42Å; F373-A376 PolarHBondContact O-N 2.92Å; I374-A376 VanDerWaalsContact C-N 3.31Å; I374-A376 PolarHBondContact O-N 2.68Å; A376-H378 VanDerWaalsContact C-N 3.33Å; A376-H378 PolarHBondContact O-N 3.21Å; A376-K379 PolarHBondContact O-N 3.45Å; A376-L380 HydrophobicContact CB-CD1 3.94Å; A376-L380 WeakPolarHBondContact O-CB 3.43Å; A376-L380 VanDerWaalsContact O-CD1 3.23Å; A376-L380 WeakPolarHBondContact O-CD1 3.34Å; A376-L380 WeakPolarHBondContact O-CG 3.05Å; A376-L380 PolarHBondContact O-N 3.42Å; A376-L390 HydrophobicContact CB-CD1 3.98Å
377C79.1Confident77Confident50 Ų5082.4 Ų82.434%0.33839%0.393SS..Hα-helixtrans-53.8-46.2178.5-64.60000112.7F373 I374 R381F373-C377 PolarHBondContact O-N 3.42Å; F373-C377 PolarHBondContact O-SG 3.5Å; F373-C377 VanDerWaalsContact O-SG 3.4Å; I374-C377 PolarHBondContact O-N 3.27Å; C377-R381 PolarHBondContact O-N 3.34Å
378H81.1Confident76Confident140 Ų14082.9 Ų82.965%0.64839%0.393SS*.Hα-helixtrans-66.1-43.3-178.2-178.3-110.8000113.1I374 A376I374-H378 WeakPolarHBondContact O-CB 3.15Å; I374-H378 PolarHBondContact O-N 3.06Å; A376-H378 VanDerWaalsContact C-N 3.33Å; A376-H378 PolarHBondContact O-N 3.21Å
379K72.7Confident75.3Confident116 Ų11680.1 Ų80.150%0.50438%0.377SS..Hα-helixtrans-76.9-34.2-177.1-163.5176.5-176.9-178.10112.2R301 R375 A376 K382R301-K379 HydrophobicContact CG-CD 3.99Å; R375-K379 WeakPolarHBondContact O-CB 3.33Å; R375-K379 PolarHBondContact O-N 3.41Å; R375-K379 VanDerWaalsContact O-N 3.12Å; A376-K379 PolarHBondContact O-N 3.45Å; K379-K382 PolarHBondContact O-N 2.96Å
380L66.8Low74.8Confident10 Ų1078.8 Ų78.85%0.05237%0.371CS..Hα-helixtrans-76.8-23.5-176.5-75.4153.1000113.2I300 A376 K382 L383 F386 N387 L390I300-L380 HydrophobicContact CG2-CD1 3.58Å; I300-L380 HydrophobicContact CG2-CD2 3.88Å; I300-L380 HydrophobicContact CG2-CG 4.28Å; A376-L380 HydrophobicContact CB-CD1 3.94Å; A376-L380 WeakPolarHBondContact O-CB 3.43Å; A376-L380 VanDerWaalsContact O-CD1 3.23Å; A376-L380 WeakPolarHBondContact O-CD1 3.34Å; A376-L380 WeakPolarHBondContact O-CG 3.05Å; A376-L380 PolarHBondContact O-N 3.42Å; L380-K382 PolarHBondContact O-N 3.21Å; L380-L383 PolarHBondContact O-N 3.39Å; L380-F386 HydrophobicContact CD2-CB 3.33Å; L380-F386 HydrophobicContact CD2-CG 4.22Å; L380-N387 PolarHBondContact O-OD1 3.36Å; L380-N387 VanDerWaalsContact O-OD1 3.06Å; L380-L390 HydrophobicContact CB-CD2 4.37Å; L380-L390 HydrophobicContact CD1-CB 4.21Å; L380-L390 HydrophobicContact CD1-CD1 4.2Å; L380-L390 HydrophobicContact CD1-CD2 3.72Å; L380-L390 HydrophobicContact CD1-CG 4.26Å
381R69.2Low74.4Confident223 Ų22382.7 Ų82.784%0.84238%0.38SS*.THydrogen-bonded Turntrans-54.5-20.9170.5-164.5173.3-178.4178.50.7113.2C377C377-R381 PolarHBondContact O-N 3.34Å
382K66.6Low74Confident167 Ų16780 Ų8073%0.72636%0.364SS*.THydrogen-bonded Turntrans-87.1-3.8176.6-57.9-169.9177.9-169.20114.8K379 L380K379-K382 PolarHBondContact O-N 2.96Å; L380-K382 PolarHBondContact O-N 3.21Å
383L65.3Low73.9Confident77 Ų7779 Ų7940%0.40336%0.359SS..  trans-131.9104.6-175.1-68.4166.3000110.5L380 Y385 F386 N387L380-L383 PolarHBondContact O-N 3.39Å; L383-Y385 PolarHBondContact O-N 3.03Å; L383-F386 HydrophobicContact CB-CB 4.5Å; L383-F386 HydrophobicContact CB-CD2 4.33Å; L383-F386 HydrophobicContact CD1-CD2 4.46Å; L383-F386 PolarHBondContact O-N 3.25Å; L383-N387 PolarHBondContact O-ND2 3.39Å
384P57.4Low73.7Confident101 Ų10176.7 Ų76.766%0.65635%0.349SS*.G310 helixtrans-62.7-37.7-169.120.7-30.8000114.2N387P384-N387 PolarHBondContact O-ND2 3.47Å
385Y57.1Low73.6Confident166 Ų16676.3 Ų76.365%0.65134%0.344SS*.G310 helixtrans-79.3-25-174.1-63.3-81.6000114.7L383 N387L383-Y385 PolarHBondContact O-N 3.03Å; Y385-N387 VanDerWaalsContact C-N 3.32Å; Y385-N387 PolarHBondContact O-N 3.4Å
386F63Low73.6Confident24 Ų2469.6 Ų69.611%0.10532%0.319CS..G310 helixtrans-82.6-11.7-178.2-80.8-88.8000114L3 L7 L380 L383 L388 R389L3-F386 HydrophobicContact CD2-CD1 4.4Å; L3-F386 HydrophobicContact CD2-CD2 4.38Å; L3-F386 HydrophobicContact CD2-CE1 3.71Å; L3-F386 HydrophobicContact CD2-CE2 3.7Å; L3-F386 HydrophobicContact CD2-CZ 3.31Å; L3-F386 HydrophobicContact CG-CE1 4.42Å; L3-F386 HydrophobicContact CG-CZ 3.92Å; L7-F386 HydrophobicContact CD1-CE1 3.78Å; L7-F386 HydrophobicContact CD1-CZ 3.64Å; L7-F386 HydrophobicContact CD2-CE1 3.77Å; L7-F386 HydrophobicContact CD2-CE2 4.44Å; L7-F386 HydrophobicContact CD2-CZ 3.55Å; L7-F386 HydrophobicContact CG-CE1 4.45Å; L7-F386 HydrophobicContact CG-CZ 4.23Å; L380-F386 HydrophobicContact CD2-CB 3.33Å; L380-F386 HydrophobicContact CD2-CG 4.22Å; L383-F386 HydrophobicContact CB-CB 4.5Å; L383-F386 HydrophobicContact CB-CD2 4.33Å; L383-F386 HydrophobicContact CD1-CD2 4.46Å; L383-F386 PolarHBondContact O-N 3.25Å; F386-L388 PolarHBondContact O-N 3.41Å; F386-R389 PolarHBondContact O-N 3.14Å
387N68.8Low73.9Confident30 Ų3069.4 Ų69.416%0.1632%0.317CS..Hα-helixtrans-61.5-32.6-179.7-73.9-32.1000112.4L380 L383 P384 Y385 R389 L390 Y391L380-N387 PolarHBondContact O-OD1 3.36Å; L380-N387 VanDerWaalsContact O-OD1 3.06Å; L383-N387 PolarHBondContact O-ND2 3.39Å; P384-N387 PolarHBondContact O-ND2 3.47Å; Y385-N387 VanDerWaalsContact C-N 3.32Å; Y385-N387 PolarHBondContact O-N 3.4Å; N387-R389 PolarHBondContact O-N 3.49Å; N387-L390 PolarHBondContact O-N 3.07Å; N387-Y391 HydrophobicContact CB-CD2 3.95Å; N387-Y391 HydrophobicContact CB-CE2 3.56Å; N387-Y391 WeakPolarHBondContact O-CB 3.27Å; N387-Y391 WeakPolarHBondContact O-CD2 3.41Å; N387-Y391 VanDerWaalsContact O-CG 3.25Å; N387-Y391 PolarHBondContact O-N 2.85Å
388L71.3Confident74.3Confident72 Ų7271.1 Ų71.138%0.37732%0.322SS..Hα-helixtrans-63.7-44.7-178.2-170.769.9000112.9L15 F386 L390 Y391 F392L15-L388 HydrophobicContact CD1-CD2 4.21Å; L15-L388 HydrophobicContact CD1-CG 4.3Å; L15-L388 HydrophobicContact CG-CD2 4.23Å; F386-L388 PolarHBondContact O-N 3.41Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.21Å; L388-Y391 PolarHBondContact O-N 3.45Å; L388-F392 WeakPolarHBondContact O-CB 3.07Å; L388-F392 PolarHBondContact O-N 3.32Å
389R76.6Confident74.5Confident20 Ų2065.5 Ų65.58%0.07530%0.296CS..Hα-helixtrans-59.4-46.8176.9-78.6-168.1-178.6176.820.1111.6M13 L15 Y16 E244 F386 N387 L393M13-R389 VanDerWaalsContact CE-NE 3.29Å; L15-R389 HydrophobicContact CD2-CB 4.46Å; L15-R389 HydrophobicContact CD2-CG 3.85Å; Y16-R389 HydrophobicContact CE1-CG 3.85Å; Y16-R389 VanDerWaalsContact CZ-CZ 3.48Å; Y16-R389 WeakPolarHBondContact OH-CD 3.49Å; Y16-R389 PolarHBondContact OH-NE 3.28Å; Y16-R389 PolarHBondContact OH-NH2 3.21Å; E244-R389 IonicContact OE1-CZ 3.17Å; E244-R389 IonicContact OE1-NH1 2.76Å; E244-R389 PolarHBondContact OE1-NH1 3.47Å; F386-R389 PolarHBondContact O-N 3.14Å; N387-R389 PolarHBondContact O-N 3.49Å; R389-L393 WeakPolarHBondContact O-CB 3.37Å; R389-L393 PolarHBondContact O-N 3.09Å; R389-L393 VanDerWaalsContact O-N 3.09Å
390L76.6Confident75.3Confident4 Ų460.1 Ų60.12%0.02127%0.273CS..Hα-helixtrans-65.5-49.9179.7-175.372.7000110.5F297 I300 A376 L380 N387 L388 F392 L393 T394F297-L390 HydrophobicContact CD1-CD1 4.14Å; F297-L390 HydrophobicContact CE1-CD1 3.86Å; I300-L390 HydrophobicContact CD1-CD1 4.32Å; A376-L390 HydrophobicContact CB-CD1 3.98Å; L380-L390 HydrophobicContact CB-CD2 4.37Å; L380-L390 HydrophobicContact CD1-CB 4.21Å; L380-L390 HydrophobicContact CD1-CD1 4.2Å; L380-L390 HydrophobicContact CD1-CD2 3.72Å; L380-L390 HydrophobicContact CD1-CG 4.26Å; N387-L390 PolarHBondContact O-N 3.07Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.21Å; L390-F392 PolarHBondContact O-N 3.46Å; L390-L393 PolarHBondContact O-N 2.7Å; L390-T394 HydrophobicContact CD1-CG2 3.68Å; L390-T394 HydrophobicContact CG-CG2 3.89Å; L390-T394 VanDerWaalsContact O-CB 3.25Å; L390-T394 WeakPolarHBondContact O-CB 3.36Å; L390-T394 WeakPolarHBondContact O-CG2 3.49Å; L390-T394 PolarHBondContact O-N 3.34Å; L390-T394 PolarHBondContact O-OG1 3.16Å
391Y79.9Confident76.3Confident144 Ų14463.6 Ų63.657%0.56529%0.291SS*.Hα-helixtrans-59.4-46.1-178.5-70.6-46.2000112N387 L388 T394 F395N387-Y391 HydrophobicContact CB-CD2 3.95Å; N387-Y391 HydrophobicContact CB-CE2 3.56Å; N387-Y391 WeakPolarHBondContact O-CB 3.27Å; N387-Y391 WeakPolarHBondContact O-CD2 3.41Å; N387-Y391 VanDerWaalsContact O-CG 3.25Å; N387-Y391 PolarHBondContact O-N 2.85Å; L388-Y391 PolarHBondContact O-N 3.45Å; Y391-T394 WeakPolarHBondContact CA-OG1 3.2Å; Y391-T394 PolarHBondContact O-OG1 2.84Å; Y391-T394 VanDerWaalsContact O-OG1 3.13Å; Y391-F395 WeakPolarHBondContact O-CB 3.39Å; Y391-F395 PolarHBondContact O-N 2.91Å
392F82.8Confident77.2Confident2 Ų258.1 Ų58.11%0.00928%0.277CS..Hα-helixtrans-60.8-52.4177.6175.2-108.1000112.1L15 F23 L388 L390 T394 Q396 L477 L478 V481L15-F392 HydrophobicContact CD1-CB 4.36Å; L15-F392 HydrophobicContact CD1-CD1 4.5Å; L15-F392 HydrophobicContact CD1-CG 4.31Å; L15-F392 HydrophobicContact CD2-CD1 4.45Å; F23-F392 HydrophobicContact CD2-CD2 4.35Å; F23-F392 HydrophobicContact CE2-CB 3.93Å; F23-F392 AromaticContact CE2-CD2 3.26Å; F23-F392 HydrophobicContact CE2-CD2 3.26Å; F23-F392 HydrophobicContact CE2-CE2 4.05Å; F23-F392 AromaticContact CE2-CG 3.89Å; F23-F392 HydrophobicContact CE2-CG 3.89Å; F23-F392 HydrophobicContact CZ-CB 4.19Å; F23-F392 AromaticContact CZ-CD2 3.61Å; F23-F392 HydrophobicContact CZ-CD2 3.61Å; F23-F392 HydrophobicContact CZ-CG 4.35Å; L388-F392 WeakPolarHBondContact O-CB 3.07Å; L388-F392 PolarHBondContact O-N 3.32Å; L390-F392 PolarHBondContact O-N 3.46Å; F392-T394 PolarHBondContact O-N 2.87Å; F392-Q396 WeakPolarHBondContact O-CB 3.41Å; F392-Q396 PolarHBondContact O-N 2.82Å; F392-L477 HydrophobicContact CE2-CD2 4.01Å; F392-L477 HydrophobicContact CE2-CG 4.4Å; F392-L477 HydrophobicContact CZ-CD1 4.29Å; F392-L477 HydrophobicContact CZ-CD2 3.84Å; F392-L477 HydrophobicContact CZ-CG 3.87Å; F392-L478 HydrophobicContact CE1-CD2 4.15Å; F392-V481 HydrophobicContact CD1-CG1 4.05Å; F392-V481 HydrophobicContact CE1-CB 3.94Å; F392-V481 HydrophobicContact CE1-CG1 3.59Å; F392-V481 HydrophobicContact CE1-CG2 4.09Å; F392-V481 HydrophobicContact CE2-CG2 4.23Å; F392-V481 HydrophobicContact CZ-CB 3.97Å; F392-V481 HydrophobicContact CZ-CG1 3.95Å; F392-V481 HydrophobicContact CZ-CG2 3.59Å
393L83.2Confident78.2Confident1 Ų151.1 Ų51.11%0.00525%0.248CC..Hα-helixtrans-62.2-44.8-178.4-179.667.9000111.5I296 F297 R389 L390 S397 L478I296-L393 HydrophobicContact CB-CD2 4.12Å; I296-L393 HydrophobicContact CG2-CD2 3.34Å; F297-L393 HydrophobicContact CD1-CD2 4.48Å; F297-L393 HydrophobicContact CD2-CD2 4.43Å; F297-L393 HydrophobicContact CE1-CD2 4.06Å; F297-L393 HydrophobicContact CE2-CD2 3.99Å; F297-L393 HydrophobicContact CE2-CG 4.37Å; F297-L393 HydrophobicContact CZ-CD2 3.79Å; F297-L393 HydrophobicContact CZ-CG 4.02Å; R389-L393 WeakPolarHBondContact O-CB 3.37Å; R389-L393 PolarHBondContact O-N 3.09Å; R389-L393 VanDerWaalsContact O-N 3.09Å; L390-L393 PolarHBondContact O-N 2.7Å; L393-S397 VanDerWaalsContact O-CB 3.23Å; L393-S397 WeakPolarHBondContact O-CB 3.43Å; L393-S397 PolarHBondContact O-N 3.41Å; L393-S397 PolarHBondContact O-OG 3.5Å; L393-L478 HydrophobicContact CD1-CD2 4.46Å
394T81.8Confident79.2Confident14 Ų1449.9 Ų49.99%0.08624%0.242CC..Hα-helixtrans-68.2-47.3-177.654.20000112F297 F373 L390 Y391 F392 Q396 S397 I398F297-T394 HydrophobicContact CE1-CG2 3.51Å; F297-T394 HydrophobicContact CZ-CG2 3.81Å; F373-T394 HydrophobicContact CD2-CG2 3.9Å; F373-T394 HydrophobicContact CE2-CG2 3.37Å; F373-T394 HydrophobicContact CZ-CG2 4.45Å; L390-T394 HydrophobicContact CD1-CG2 3.68Å; L390-T394 HydrophobicContact CG-CG2 3.89Å; L390-T394 VanDerWaalsContact O-CB 3.25Å; L390-T394 WeakPolarHBondContact O-CB 3.36Å; L390-T394 WeakPolarHBondContact O-CG2 3.49Å; L390-T394 PolarHBondContact O-N 3.34Å; L390-T394 PolarHBondContact O-OG1 3.16Å; Y391-T394 WeakPolarHBondContact CA-OG1 3.2Å; Y391-T394 PolarHBondContact O-OG1 2.84Å; Y391-T394 VanDerWaalsContact O-OG1 3.13Å; F392-T394 PolarHBondContact O-N 2.87Å; T394-Q396 VanDerWaalsContact C-N 3.31Å; T394-Q396 PolarHBondContact O-N 3.21Å; T394-S397 PolarHBondContact O-N 3Å; T394-I398 WeakPolarHBondContact O-CB 3.37Å; T394-I398 WeakPolarHBondContact O-CD1 3.38Å; T394-I398 WeakPolarHBondContact O-CG1 3.38Å; T394-I398 PolarHBondContact O-N 3.38Å
395F84.3Confident80.5Confident92 Ų9246.7 Ų46.740%0.40423%0.227SC..Hα-helixtrans-54.6-50.2175.3176.7-101.8000110.9T27 F31 Y391 S397 I398 I399T27-F395 HydrophobicContact CG2-CE1 3.7Å; T27-F395 HydrophobicContact CG2-CZ 4.29Å; F31-F395 HydrophobicContact CE2-CE1 4.41Å; F31-F395 HydrophobicContact CE2-CZ 4.23Å; F31-F395 HydrophobicContact CZ-CE1 4.49Å; F31-F395 HydrophobicContact CZ-CZ 4.17Å; Y391-F395 WeakPolarHBondContact O-CB 3.39Å; Y391-F395 PolarHBondContact O-N 2.91Å; F395-S397 PolarHBondContact O-N 3.31Å; F395-I398 PolarHBondContact O-N 3.15Å; F395-I399 HydrophobicContact CD1-CD1 3.68Å; F395-I399 HydrophobicContact CD2-CD1 4.29Å; F395-I399 HydrophobicContact CE1-CD1 3.28Å; F395-I399 HydrophobicContact CE2-CD1 3.95Å; F395-I399 HydrophobicContact CG-CD1 4.17Å; F395-I399 HydrophobicContact CZ-CD1 3.45Å; F395-I399 VanDerWaalsContact CZ-CD1 3.45Å; F395-I399 WeakPolarHBondContact O-CD1 3.47Å; F395-I399 WeakPolarHBondContact O-CG1 3.45Å; F395-I399 PolarHBondContact O-N 3.26Å; F395-I399 VanDerWaalsContact O-N 3.08Å
396Q84Confident81.9Confident0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-67.5-38.3-178.3-172.862.95.700112.6F30 F392 T394 I399 F400 Y474 L477F30-Q396 VanDerWaalsContact CD2-NE2 3.34Å; F392-Q396 WeakPolarHBondContact O-CB 3.41Å; F392-Q396 PolarHBondContact O-N 2.82Å; T394-Q396 VanDerWaalsContact C-N 3.31Å; T394-Q396 PolarHBondContact O-N 3.21Å; Q396-I399 PolarHBondContact O-N 2.96Å; Q396-F400 VanDerWaalsContact O-CB 3.32Å; Q396-F400 WeakPolarHBondContact O-CB 3.45Å; Q396-F400 PolarHBondContact O-N 3.22Å; Q396-Y474 HydrophobicContact CB-CE2 4.37Å; Q396-Y474 HydrophobicContact CG-CD2 3.59Å; Q396-Y474 HydrophobicContact CG-CE2 3.58Å; Q396-L477 HydrophobicContact CG-CD2 4Å
397S84.7Confident82.7Confident4 Ų443.1 Ų43.13%0.02822%0.215CC..Hα-helixtrans-69.8-36.3177.6-53.40000112L393 T394 F395 F400 I401 Y474L393-S397 VanDerWaalsContact O-CB 3.23Å; L393-S397 WeakPolarHBondContact O-CB 3.43Å; L393-S397 PolarHBondContact O-N 3.41Å; L393-S397 PolarHBondContact O-OG 3.5Å; T394-S397 PolarHBondContact O-N 3Å; F395-S397 PolarHBondContact O-N 3.31Å; S397-F400 PolarHBondContact O-N 3.35Å; S397-I401 VanDerWaalsContact O-CG1 3.25Å; S397-I401 WeakPolarHBondContact O-CG1 3.19Å; S397-I401 PolarHBondContact O-N 3.04Å; S397-Y474 PolarHBondContact OG-OH 3.19Å
398I87Confident83.3Confident87 Ų8744.5 Ų44.545%0.44623%0.227SC..Hα-helixtrans-63.9-47.1175.1-71.8165000110T394 F395 F400 I401 I402T394-I398 WeakPolarHBondContact O-CB 3.37Å; T394-I398 WeakPolarHBondContact O-CD1 3.38Å; T394-I398 WeakPolarHBondContact O-CG1 3.38Å; T394-I398 PolarHBondContact O-N 3.38Å; F395-I398 PolarHBondContact O-N 3.15Å; I398-F400 VanDerWaalsContact C-N 3.33Å; I398-F400 PolarHBondContact O-N 3.09Å; I398-I401 PolarHBondContact O-N 3.39Å; I398-I402 HydrophobicContact CG2-CD1 3.62Å; I398-I402 HydrophobicContact CG2-CG1 4.32Å; I398-I402 VanDerWaalsContact O-CG1 3.26Å; I398-I402 WeakPolarHBondContact O-CG1 3.19Å; I398-I402 PolarHBondContact O-N 3.07Å
399I86.2Confident83.7Confident21 Ų2145.7 Ų45.711%0.10823%0.233CC..Hα-helixtrans-60.5-46.3177.4-65.9160000110.6F30 F31 I34 F395 Q396 I401 I402 V403F30-I399 HydrophobicContact CE1-CG2 3.87Å; F31-I399 HydrophobicContact CE1-CD1 4.05Å; F31-I399 HydrophobicContact CE1-CG2 4.13Å; F31-I399 HydrophobicContact CE2-CD1 4.35Å; F31-I399 HydrophobicContact CZ-CD1 3.48Å; F31-I399 VanDerWaalsContact CZ-CD1 3.48Å; F31-I399 HydrophobicContact CZ-CG1 4.31Å; I34-I399 HydrophobicContact CD1-CG2 4.38Å; F395-I399 HydrophobicContact CD1-CD1 3.68Å; F395-I399 HydrophobicContact CD2-CD1 4.29Å; F395-I399 HydrophobicContact CE1-CD1 3.28Å; F395-I399 HydrophobicContact CE2-CD1 3.95Å; F395-I399 HydrophobicContact CG-CD1 4.17Å; F395-I399 HydrophobicContact CZ-CD1 3.45Å; F395-I399 VanDerWaalsContact CZ-CD1 3.45Å; F395-I399 WeakPolarHBondContact O-CD1 3.47Å; F395-I399 WeakPolarHBondContact O-CG1 3.45Å; F395-I399 PolarHBondContact O-N 3.26Å; F395-I399 VanDerWaalsContact O-N 3.08Å; Q396-I399 PolarHBondContact O-N 2.96Å; I399-I401 VanDerWaalsContact C-N 3.32Å; I399-I401 PolarHBondContact O-N 3.22Å; I399-I402 PolarHBondContact O-N 3.12Å; I399-I402 VanDerWaalsContact O-N 3.16Å; I399-V403 HydrophobicContact CG2-CG2 4.2Å; I399-V403 WeakPolarHBondContact O-CG2 3.09Å; I399-V403 PolarHBondContact O-N 3.38Å
400F88.1Confident83.7Confident4 Ų446.5 Ų46.52%0.01824%0.238CC..Hα-helixtrans-55.4-46.4176.8-179.8-96.4000112.1L289 W293 Q396 S397 I398 V403 L404 T470 I471 Y474L289-F400 HydrophobicContact CD2-CE1 4.18Å; L289-F400 HydrophobicContact CD2-CZ 4.04Å; W293-F400 AromaticContact CH2-CD1 3.52Å; W293-F400 HydrophobicContact CH2-CD1 3.52Å; W293-F400 AromaticContact CH2-CE1 3.63Å; W293-F400 HydrophobicContact CH2-CE1 3.63Å; W293-F400 AromaticContact CZ2-CD1 3.48Å; W293-F400 HydrophobicContact CZ2-CD1 3.48Å; W293-F400 VanDerWaalsContact CZ2-CD1 3.48Å; W293-F400 AromaticContact CZ2-CE1 3.66Å; W293-F400 HydrophobicContact CZ2-CE1 3.66Å; W293-F400 HydrophobicContact CZ2-CG 4.44Å; Q396-F400 VanDerWaalsContact O-CB 3.32Å; Q396-F400 WeakPolarHBondContact O-CB 3.45Å; Q396-F400 PolarHBondContact O-N 3.22Å; S397-F400 PolarHBondContact O-N 3.35Å; I398-F400 VanDerWaalsContact C-N 3.33Å; I398-F400 PolarHBondContact O-N 3.09Å; F400-V403 PolarHBondContact O-N 3.17Å; F400-L404 HydrophobicContact CD1-CD1 3.84Å; F400-L404 HydrophobicContact CE1-CD1 3.25Å; F400-L404 HydrophobicContact CE1-CG 4.25Å; F400-L404 HydrophobicContact CE2-CD1 4.17Å; F400-L404 HydrophobicContact CZ-CD1 3.44Å; F400-L404 VanDerWaalsContact CZ-CD1 3.44Å; F400-L404 HydrophobicContact CZ-CG 4.23Å; F400-L404 WeakPolarHBondContact O-CB 3.41Å; F400-L404 WeakPolarHBondContact O-CG 3.23Å; F400-L404 PolarHBondContact O-N 3.48Å; F400-T470 HydrophobicContact CD2-CG2 3.55Å; F400-T470 HydrophobicContact CE2-CG2 3.9Å; F400-T470 HydrophobicContact CG-CG2 4.46Å; F400-I471 HydrophobicContact CE2-CG1 3.91Å; F400-I471 HydrophobicContact CZ-CG1 4.01Å; F400-Y474 HydrophobicContact CB-CD2 3.9Å; F400-Y474 HydrophobicContact CB-CE2 4.13Å; F400-Y474 HydrophobicContact CD2-CD1 4.24Å; F400-Y474 AromaticContact CD2-CD2 3.86Å; F400-Y474 HydrophobicContact CD2-CD2 3.86Å; F400-Y474 AromaticContact CD2-CG 3.69Å; F400-Y474 HydrophobicContact CD2-CG 3.69Å; F400-Y474 HydrophobicContact CE2-CD1 4.32Å; F400-Y474 HydrophobicContact CE2-CG 4.14Å; F400-Y474 HydrophobicContact CG-CD2 4.01Å; F400-Y474 HydrophobicContact CG-CE2 4.34Å; F400-Y474 HydrophobicContact CG-CG 4.24Å
401I88.4Confident83.4Confident82 Ų8247.3 Ų47.342%0.42124%0.242SC..Hα-helixtrans-66.1-40177-68165.5000111.6W293 S397 I398 I399 G405W293-I401 HydrophobicContact CH2-CD1 4.25Å; W293-I401 HydrophobicContact CH2-CG1 3.98Å; W293-I401 HydrophobicContact CZ3-CD1 4.22Å; W293-I401 HydrophobicContact CZ3-CG1 4.33Å; S397-I401 VanDerWaalsContact O-CG1 3.25Å; S397-I401 WeakPolarHBondContact O-CG1 3.19Å; S397-I401 PolarHBondContact O-N 3.04Å; I398-I401 PolarHBondContact O-N 3.39Å; I399-I401 VanDerWaalsContact C-N 3.32Å; I399-I401 PolarHBondContact O-N 3.22Å; I401-G405 PolarHBondContact O-N 3.29Å
402I89.3Confident82.8Confident108 Ų10845.2 Ų45.255%0.55424%0.236SC*.Hα-helixtrans-63-45.8178-70.8167.4000110.6I398 I399 G405 F406I398-I402 HydrophobicContact CG2-CD1 3.62Å; I398-I402 HydrophobicContact CG2-CG1 4.32Å; I398-I402 VanDerWaalsContact O-CG1 3.26Å; I398-I402 WeakPolarHBondContact O-CG1 3.19Å; I398-I402 PolarHBondContact O-N 3.07Å; I399-I402 PolarHBondContact O-N 3.12Å; I399-I402 VanDerWaalsContact O-N 3.16Å; I402-G405 PolarHBondContact O-N 3.09Å; I402-F406 WeakPolarHBondContact O-CB 3.21Å; I402-F406 PolarHBondContact O-N 3.07Å
403V86.7Confident81.7Confident21 Ų2149.1 Ų49.113%0.12726%0.257CS..Hα-helixtrans-68.3-42.6-179177.80000111.1I34 I399 F400 G405 F406 A407 T470I34-V403 HydrophobicContact CD1-CG2 4.43Å; I399-V403 HydrophobicContact CG2-CG2 4.2Å; I399-V403 WeakPolarHBondContact O-CG2 3.09Å; I399-V403 PolarHBondContact O-N 3.38Å; F400-V403 PolarHBondContact O-N 3.17Å; V403-G405 VanDerWaalsContact C-N 3.33Å; V403-G405 PolarHBondContact O-N 3.01Å; V403-F406 PolarHBondContact O-N 3Å; V403-A407 PolarHBondContact O-N 3.26Å; V403-T470 HydrophobicContact CB-CG2 4.11Å; V403-T470 HydrophobicContact CG1-CG2 4Å; V403-T470 WeakPolarHBondContact CG1-OG1 3.36Å
404L86Confident80.3Confident51 Ų5150.4 Ų50.427%0.26727%0.27SS..Hα-helixtrans-63.5-38.9172.6-73.5-176.8000112.3F400 F406 A407 C408 I467F400-L404 HydrophobicContact CD1-CD1 3.84Å; F400-L404 HydrophobicContact CE1-CD1 3.25Å; F400-L404 HydrophobicContact CE1-CG 4.25Å; F400-L404 HydrophobicContact CE2-CD1 4.17Å; F400-L404 HydrophobicContact CZ-CD1 3.44Å; F400-L404 VanDerWaalsContact CZ-CD1 3.44Å; F400-L404 HydrophobicContact CZ-CG 4.23Å; F400-L404 WeakPolarHBondContact O-CB 3.41Å; F400-L404 WeakPolarHBondContact O-CG 3.23Å; F400-L404 PolarHBondContact O-N 3.48Å; L404-F406 VanDerWaalsContact C-N 3.32Å; L404-A407 PolarHBondContact O-N 3.25Å; L404-C408 VanDerWaalsContact O-CB 3.25Å; L404-C408 WeakPolarHBondContact O-CB 2.87Å; L404-C408 PolarHBondContact O-N 2.75Å; L404-I467 HydrophobicContact CD2-CG1 4.18Å; L404-I467 HydrophobicContact CD2-CG2 4.33Å
405G85.4Confident78.8Confident34 Ų3452.2 Ų52.235%0.35128%0.276SS..Hα-helixtrans-61.5-41.6173.900000111.7I401 I402 V403 C408 L409I401-G405 PolarHBondContact O-N 3.29Å; I402-G405 PolarHBondContact O-N 3.09Å; V403-G405 VanDerWaalsContact C-N 3.33Å; V403-G405 PolarHBondContact O-N 3.01Å; G405-C408 WeakPolarHBondContact O-CB 3.05Å; G405-C408 PolarHBondContact O-N 3.15Å; G405-L409 VanDerWaalsContact O-CG 3.28Å; G405-L409 WeakPolarHBondContact O-CG 3.11Å; G405-L409 PolarHBondContact O-N 3.33Å
406F85.5Confident76.6Confident114 Ų11451.8 Ų51.850%0.528%0.277SS..Hα-helixtrans-66.1-43.2174.7-177.6-105.8000112.5I402 V403 L404 C408 L409 I410 L466I402-F406 WeakPolarHBondContact O-CB 3.21Å; I402-F406 PolarHBondContact O-N 3.07Å; V403-F406 PolarHBondContact O-N 3Å; L404-F406 VanDerWaalsContact C-N 3.32Å; F406-C408 VanDerWaalsContact C-N 3.31Å; F406-C408 PolarHBondContact O-N 3.19Å; F406-L409 CarbonylContact O-C 3.54Å; F406-L409 WeakPolarHBondContact O-CB 3.41Å; F406-L409 PolarHBondContact O-N 2.68Å; F406-L409 VanDerWaalsContact O-N 3.15Å; F406-I410 HydrophobicContact CD1-CD1 3.81Å; F406-I410 HydrophobicContact CD1-CG1 4.48Å; F406-I410 HydrophobicContact CE1-CD1 3.39Å; F406-I410 HydrophobicContact CE1-CG1 4.15Å; F406-I410 HydrophobicContact CZ-CD1 3.94Å; F406-I410 HydrophobicContact CZ-CG1 4.27Å; F406-I410 WeakPolarHBondContact O-CG1 3.37Å; F406-I410 PolarHBondContact O-N 3Å; F406-L466 HydrophobicContact CD1-CD1 4.28Å; F406-L466 HydrophobicContact CE1-CD1 4.34Å
407A81Confident74.2Confident0 Ų057.3 Ų57.30%031%0.306CS..Hα-helixtrans-60.8-41.8173.700000111.5V403 L404 L409 I410 H411 L466 I467V403-A407 PolarHBondContact O-N 3.26Å; L404-A407 PolarHBondContact O-N 3.25Å; A407-L409 VanDerWaalsContact C-N 3.34Å; A407-L409 PolarHBondContact O-N 3.42Å; A407-I410 WeakPolarHBondContact O-CB 3.41Å; A407-I410 PolarHBondContact O-N 3.36Å; A407-H411 PolarHBondContact O-N 3.46Å; A407-L466 HydrophobicContact CB-CB 4.44Å; A407-I467 HydrophobicContact CB-CD1 4.16Å; A407-I467 HydrophobicContact CB-CG1 3.72Å
408C79.6Confident71.9Confident59 Ų5962.6 Ų62.640%0.39933%0.333SS..Hα-helixtrans-64-38.1174.1-166.80000111.9L404 G405 F406 H411 F412L404-C408 VanDerWaalsContact O-CB 3.25Å; L404-C408 WeakPolarHBondContact O-CB 2.87Å; L404-C408 PolarHBondContact O-N 2.75Å; G405-C408 WeakPolarHBondContact O-CB 3.05Å; G405-C408 PolarHBondContact O-N 3.15Å; F406-C408 VanDerWaalsContact C-N 3.31Å; F406-C408 PolarHBondContact O-N 3.19Å; C408-H411 WeakPolarHBondContact O-CB 3.48Å; C408-H411 PolarHBondContact O-N 2.98Å; C408-F412 WeakPolarHBondContact O-CD2 3.33Å; C408-F412 PolarHBondContact O-N 3.28Å; C408-F412 WeakPolarHBondContact SG-CE2 3.24Å
409L81.6Confident69.6Low98 Ų9860.2 Ų60.251%0.51332%0.324SS..Hα-helixtrans-65.1-38.1172.3-73.4172.8000112.2G405 F406 A407 H411 F412 N413G405-L409 VanDerWaalsContact O-CG 3.28Å; G405-L409 WeakPolarHBondContact O-CG 3.11Å; G405-L409 PolarHBondContact O-N 3.33Å; F406-L409 CarbonylContact O-C 3.54Å; F406-L409 WeakPolarHBondContact O-CB 3.41Å; F406-L409 PolarHBondContact O-N 2.68Å; F406-L409 VanDerWaalsContact O-N 3.15Å; A407-L409 VanDerWaalsContact C-N 3.34Å; A407-L409 PolarHBondContact O-N 3.42Å; L409-H411 VanDerWaalsContact C-N 3.33Å; L409-F412 PolarHBondContact O-N 3.45Å; L409-N413 WeakPolarHBondContact O-CB 3.43Å; L409-N413 VanDerWaalsContact O-CG 3.26Å; L409-N413 PolarHBondContact O-N 2.85Å; L409-N413 PolarHBondContact O-ND2 2.96Å
410I76.1Confident67.1Low36 Ų3664 Ų6419%0.18534%0.341CS..Hα-helixtrans-61.3-46.1172.4-69.6166.8000109.7F406 A407 F412 N413 G414 L462 L466F406-I410 HydrophobicContact CD1-CD1 3.81Å; F406-I410 HydrophobicContact CD1-CG1 4.48Å; F406-I410 HydrophobicContact CE1-CD1 3.39Å; F406-I410 HydrophobicContact CE1-CG1 4.15Å; F406-I410 HydrophobicContact CZ-CD1 3.94Å; F406-I410 HydrophobicContact CZ-CG1 4.27Å; F406-I410 WeakPolarHBondContact O-CG1 3.37Å; F406-I410 PolarHBondContact O-N 3Å; A407-I410 WeakPolarHBondContact O-CB 3.41Å; A407-I410 PolarHBondContact O-N 3.36Å; I410-F412 VanDerWaalsContact C-N 3.31Å; I410-F412 PolarHBondContact O-N 2.96Å; I410-N413 PolarHBondContact O-N 2.81Å; I410-G414 PolarHBondContact O-N 2.86Å; I410-L462 HydrophobicContact CD1-CD2 4.02Å; I410-L462 HydrophobicContact CD1-CG 4.42Å; I410-L466 HydrophobicContact CD1-CD1 3.81Å
411H69.7Low64.5Low21 Ų2167.8 Ų67.810%0.09737%0.368CS..Hα-helixtrans-56.4-45.2176.7-171.385.9000111.8A407 C408 L409 R415 D454 E463A407-H411 PolarHBondContact O-N 3.46Å; C408-H411 WeakPolarHBondContact O-CB 3.48Å; C408-H411 PolarHBondContact O-N 2.98Å; L409-H411 VanDerWaalsContact C-N 3.33Å; H411-R415 PolarHBondContact NE2-NE 3.11Å; H411-R415 PolarHBondContact NE2-NH2 3.45Å; H411-R415 WeakPolarHBondContact O-CG 3.32Å; H411-D454 PolarHBondContact CE1-O 3.02Å; H411-E463 WeakPolarHBondContact CB-OE1 3.39Å; H411-E463 IonicContact CE1-OE1 2.99Å; H411-E463 IonicContact CG-OE1 2.74Å; H411-E463 IonicContact CG-OE2 3.09Å; H411-E463 IonicContact ND1-OE1 3.73Å; H411-E463 PolarHBondContact ND1-OE1 3.4Å; H411-E463 IonicContact ND1-OE2 3.86Å; H411-E463 PolarHBondContact ND1-OE2 3.43Å; H411-E463 VanDerWaalsContact ND1-OE2 3.09Å
412F66.8Low62Low100 Ų10067 Ų6744%0.43936%0.364SS..Hα-helixtrans-73.6-36.3176.7-76-63000113.8C408 L409 I410 R415 L416C408-F412 WeakPolarHBondContact O-CD2 3.33Å; C408-F412 PolarHBondContact O-N 3.28Å; C408-F412 WeakPolarHBondContact SG-CE2 3.24Å; L409-F412 PolarHBondContact O-N 3.45Å; I410-F412 VanDerWaalsContact C-N 3.31Å; I410-F412 PolarHBondContact O-N 2.96Å; F412-R415 WeakPolarHBondContact O-CB 3.24Å; F412-R415 PolarHBondContact O-N 2.82Å; F412-L416 PolarHBondContact O-N 2.86Å
413N61.1Low59.5Low85 Ų8564.6 Ų64.646%0.45535%0.352SS..Hα-helixtrans-75-31.4-179.6-78.4-18.7000112.3L409 I410 R415 L416 L417L409-N413 WeakPolarHBondContact O-CB 3.43Å; L409-N413 VanDerWaalsContact O-CG 3.26Å; L409-N413 PolarHBondContact O-N 2.85Å; L409-N413 PolarHBondContact O-ND2 2.96Å; I410-N413 PolarHBondContact O-N 2.81Å; N413-R415 PolarHBondContact O-N 3.09Å; N413-L416 CarbonylContact O-C 3.56Å; N413-L416 WeakPolarHBondContact O-CA 3.37Å; N413-L416 WeakPolarHBondContact O-CB 3.45Å; N413-L416 PolarHBondContact O-N 2.94Å; N413-L417 PolarHBondContact O-N 2.93Å
414G53.1Low57Low27 Ų2773.3 Ų73.328%0.27838%0.384SS..Hα-helixtrans-58.5-40.9168.100000111.1I410 L416 L417 L418I410-G414 PolarHBondContact O-N 2.86Å; G414-L416 VanDerWaalsContact C-N 3.35Å; G414-L417 PolarHBondContact O-N 3.09Å; G414-L418 PolarHBondContact O-N 3.25Å
415R50.1Low54.8Low53 Ų5373.4 Ų73.420%0.239%0.387CS..Hα-helixtrans-66.6-33.7171.1-62.6175.2-174.7-13512.6112.5H411 F412 N413 S419 H450 R451H411-R415 PolarHBondContact NE2-NE 3.11Å; H411-R415 PolarHBondContact NE2-NH2 3.45Å; H411-R415 WeakPolarHBondContact O-CG 3.32Å; F412-R415 WeakPolarHBondContact O-CB 3.24Å; F412-R415 PolarHBondContact O-N 2.82Å; N413-R415 PolarHBondContact O-N 3.09Å; R415-S419 PolarHBondContact O-N 3.28Å; R415-S419 VanDerWaalsContact O-N 3.1Å; R415-H450 PolarHBondContact NH1-O 3.35Å; R415-R451 PolarHBondContact NH1-O 2.82Å
416L38.7Very low52.4Low83 Ų8378.1 Ų78.144%0.43539%0.394SS..Hα-helixtrans-72.1-36.9177.2-161.576.5000112.4F412 N413 G414 S419 Q420F412-L416 PolarHBondContact O-N 2.86Å; N413-L416 CarbonylContact O-C 3.56Å; N413-L416 WeakPolarHBondContact O-CA 3.37Å; N413-L416 WeakPolarHBondContact O-CB 3.45Å; N413-L416 PolarHBondContact O-N 2.94Å; G414-L416 VanDerWaalsContact C-N 3.35Å; L416-S419 CarbonylContact O-C 3.57Å; L416-S419 WeakPolarHBondContact O-CA 3.46Å; L416-S419 WeakPolarHBondContact O-CB 3.24Å; L416-S419 PolarHBondContact O-N 3.3Å; L416-S419 VanDerWaalsContact O-N 3.09Å; L416-S419 PolarHBondContact O-OG 3.25Å; L416-Q420 WeakPolarHBondContact O-CG 3.49Å; L416-Q420 PolarHBondContact O-N 2.76Å
417L33.1Very low50.1Low116 Ų11679.6 Ų79.661%0.60741%0.407SS*.Hα-helixtrans-68.4-37.6177.5-93.4154000112.4N413 G414 S419 Q420N413-L417 PolarHBondContact O-N 2.93Å; G414-L417 PolarHBondContact O-N 3.09Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.09Å; L417-Q420 PolarHBondContact O-N 3.02Å; L417-Q420 VanDerWaalsContact O-N 3.15Å
418L37.3Very low48.3Very low115 Ų11585.6 Ų85.660%0.60244%0.443SS*.Hα-helixtrans-67.6-29.2167.7-79.2166.1000112.1G414 S421G414-L418 PolarHBondContact O-N 3.25Å; L418-S421 PolarHBondContact O-OG 3.24Å
419S37.8Very low46.2Very low36 Ų3690.8 Ų90.825%0.25246%0.459SS..Hα-helixtrans-77.9-17.117093.10000113.9R415 L416 L417 M422 N423R415-S419 PolarHBondContact O-N 3.28Å; R415-S419 VanDerWaalsContact O-N 3.1Å; L416-S419 CarbonylContact O-C 3.57Å; L416-S419 WeakPolarHBondContact O-CA 3.46Å; L416-S419 WeakPolarHBondContact O-CB 3.24Å; L416-S419 PolarHBondContact O-N 3.3Å; L416-S419 VanDerWaalsContact O-N 3.09Å; L416-S419 PolarHBondContact O-OG 3.25Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.09Å; S419-M422 CarbonylContact O-C 3.59Å; S419-M422 WeakPolarHBondContact O-CA 3.37Å; S419-M422 VanDerWaalsContact O-CB 3.3Å; S419-M422 WeakPolarHBondContact O-CB 3.35Å; S419-M422 PolarHBondContact O-N 2.93Å; S419-N423 PolarHBondContact O-N 3.14Å; S419-N423 PolarHBondContact O-ND2 2.94Å
420Q34Very low44.1Very low101 Ų10194.1 Ų94.147%0.47248%0.477SS..Hα-helixtrans-76-26.5-180-83.8179.4-500111.8L416 L417 M422 N423 Y424L416-Q420 WeakPolarHBondContact O-CG 3.49Å; L416-Q420 PolarHBondContact O-N 2.76Å; L417-Q420 PolarHBondContact O-N 3.02Å; L417-Q420 VanDerWaalsContact O-N 3.15Å; Q420-M422 PolarHBondContact O-N 3.47Å; Q420-N423 PolarHBondContact O-N 3.22Å; Q420-Y424 PolarHBondContact O-N 3.07Å; Q420-Y424 VanDerWaalsContact O-N 3.14Å
421S33.6Very low42.3Very low83 Ų8395.3 Ų95.358%0.5850%0.499SS*.Hα-helixtrans-61.5-29.5163.470.20000111.5L418L418-S421 PolarHBondContact O-OG 3.24Å
422M36.6Very low40.8Very low66 Ų66102.2 Ų102.233%0.32554%0.535SS..Hα-helixtrans-88.9-10.4178-67.1-77-91.700114.6P151 D156 S419 Q420P151-M422 HydrophobicContact CB-SD 4.37Å; P151-M422 HydrophobicContact CG-CE 3.92Å; P151-M422 HydrophobicContact CG-SD 3.73Å; D156-M422 WeakPolarHBondContact OD1-CE 3.43Å; S419-M422 CarbonylContact O-C 3.59Å; S419-M422 WeakPolarHBondContact O-CA 3.37Å; S419-M422 VanDerWaalsContact O-CB 3.3Å; S419-M422 WeakPolarHBondContact O-CB 3.35Å; S419-M422 PolarHBondContact O-N 2.93Å; Q420-M422 PolarHBondContact O-N 3.47Å
423N36.1Very low39.5Very low57 Ų57102.3 Ų102.331%0.30555%0.548SS..Hα-helixtrans-104-17.6177.8-76.7-37.1000113.6S419 Q420 V425 R426S419-N423 PolarHBondContact O-N 3.14Å; S419-N423 PolarHBondContact O-ND2 2.94Å; Q420-N423 PolarHBondContact O-N 3.22Å; N423-V425 PolarHBondContact O-N 3.44Å; N423-R426 PolarHBondContact O-N 3.46Å; N423-R426 VanDerWaalsContact O-N 3.16Å; N423-R426 VanDerWaalsContact OD1-CZ 3.24Å; N423-R426 PolarHBondContact OD1-NE 3.36Å
424Y33.6Very low38.3Very low204 Ų204107.9 Ų107.980%0.857%0.568SS**THydrogen-bonded Turntrans-65.9-25.6168.9-162.6-102.1000112.3Q420Q420-Y424 PolarHBondContact O-N 3.07Å; Q420-Y424 VanDerWaalsContact O-N 3.14Å
425V39.6Very low37.8Very low54 Ų54113.6 Ų113.633%0.32759%0.589SS.*THydrogen-bonded Turntrans-84.1-11175.4-178.20000112.7N423N423-V425 PolarHBondContact O-N 3.44Å
426R36Very low37.5Very low132 Ų132115.6 Ų115.650%0.49861%0.607SS.*G310 helixtrans-90.6-16.1-175.5-151.8175.5-64.1179.61.3114N423N423-R426 PolarHBondContact O-N 3.46Å; N423-R426 VanDerWaalsContact O-N 3.16Å; N423-R426 VanDerWaalsContact OD1-CZ 3.24Å; N423-R426 PolarHBondContact OD1-NE 3.36Å
427N37.8Very low38Very low145 Ų145115.7 Ų115.778%0.77562%0.62SS**G310 helixtrans-94.411.4178.4-74.1-12.3000114.5
428V43Very low38.6Very low126 Ų126118.4 Ų118.476%0.76463%0.63SS**G310 helixtrans-106.64.5174.5-174.30000112.1
429K35.3Very low38.8Very low168 Ų168117.6 Ų117.673%0.7362%0.623SS**  trans-116.956175-101.1-178.8176177.40111.8G431K429-G431 PolarHBondContact O-N 2.99Å
430D37.3Very low38.9Very low168 Ų168123.6 Ų123.690%0.89864%0.644SS**  trans-70.681.1148.5-85-25.8000107.9
431G38.8Very low39.1Very low62 Ų62124.2 Ų124.264%0.63965%0.651SS**  trans-151.468.6-178.900000108.8K429 S433K429-G431 PolarHBondContact O-N 2.99Å; G431-S433 PolarHBondContact O-N 3.29Å
432I37.5Very low39.2Very low166 Ų166123.5 Ų123.585%0.85165%0.646SS**  trans-52.4116.3-179.5-63.6162.2000110.7
433S38.4Very low39.1Very low101 Ų101125 Ų12571%0.70665%0.653SS**  trans-177.8120.7136.3420000113.3G431G431-S433 PolarHBondContact O-N 3.29Å
434K37.1Very low39Very low203 Ų203127.7 Ų127.788%0.88367%0.667SS**  trans70.276.4156.2-56.5176.9-177178.30117.7
435M41.4Very low38.9Very low146 Ų146122.4 Ų122.472%0.71965%0.652SS**  trans-94117.6150.2-87.5-174.7-121.200109.7
436T45.5Very low38.8Very low95 Ų95123 Ų12358%0.58365%0.653SS**  trans-68.7150.4172.934.50000111.8Q438 Q439T436-Q438 PolarHBondContact O-N 2.94Å; T436-Q439 PolarHBondContact O-N 3.05Å
437A48.7Very low38.6Very low86 Ų86118.5 Ų118.571%0.71165%0.647SS**Hα-helixtrans-54.4-22.6-177.100000114.9K440A437-K440 PolarHBondContact O-N 2.98Å
438Q44.5Very low38.4Very low172 Ų172114.2 Ų114.280%0.80462%0.624SS**Hα-helixtrans-69.3-29.1173.6-89.3174.5-71.500114.3T436 K440T436-Q438 PolarHBondContact O-N 2.94Å; Q438-K440 VanDerWaalsContact C-N 3.33Å; Q438-K440 PolarHBondContact O-N 2.92Å
439Q42.3Very low38Very low99 Ų99112.4 Ų112.446%0.46361%0.607SS.*Hα-helixtrans-73.4-26.1177-90.9171.8-49.700112.6T436 N441 S442 Q443T436-Q439 PolarHBondContact O-N 3.05Å; Q439-N441 VanDerWaalsContact C-N 3.31Å; Q439-N441 PolarHBondContact O-N 3.12Å; Q439-S442 PolarHBondContact O-N 3.03Å; Q439-Q443 PolarHBondContact O-N 3.3Å
440K40.9Very low37.9Very low161 Ų161110.8 Ų110.870%0.760%0.602SS**Hα-helixtrans-68.5-29.5179.3-142.9174.3-174.71800112.7A437 Q438A437-K440 PolarHBondContact O-N 2.98Å; Q438-K440 VanDerWaalsContact C-N 3.33Å; Q438-K440 PolarHBondContact O-N 2.92Å
441N37.9Very low37.9Very low114 Ų114108.5 Ų108.561%0.6158%0.581SS**Hα-helixtrans-81.1-33.5177.3-80.2-7.9000113.1Q439 Q443 N445Q439-N441 VanDerWaalsContact C-N 3.31Å; Q439-N441 PolarHBondContact O-N 3.12Å; N441-Q443 VanDerWaalsContact C-N 3.27Å; N441-Q443 PolarHBondContact O-N 2.88Å; N441-N445 PolarHBondContact O-N 2.87Å
442S35.4Very low37.7Very low68 Ų68107.7 Ų107.748%0.47656%0.56SS.*Hα-helixtrans-65.9-33173.5-164.60000111.7Q439 N445 I446Q439-S442 PolarHBondContact O-N 3.03Å; S442-N445 PolarHBondContact O-N 2.88Å; S442-I446 VanDerWaalsContact O-CD1 3.25Å; S442-I446 WeakPolarHBondContact O-CD1 3.32Å; S442-I446 WeakPolarHBondContact O-CG1 3.33Å; S442-I446 PolarHBondContact O-N 2.93Å; S442-I446 VanDerWaalsContact O-N 3.15Å
443Q34.3Very low37.7Very low99 Ų99102 Ų10246%0.46353%0.531SS..Hα-helixtrans-76.1-26.9-177-144.6158.7-11.500113.7Q439 N441 G447Q439-Q443 PolarHBondContact O-N 3.3Å; N441-Q443 VanDerWaalsContact C-N 3.27Å; N441-Q443 PolarHBondContact O-N 2.88Å; Q443-G447 PolarHBondContact O-N 3.48Å
444N33.9Very low38.1Very low112 Ų112101.2 Ų101.260%0.59952%0.519SS*.Hα-helixtrans-74.9-30171.5-79.7-12.6000112.6
445N32.2Very low38.4Very low94 Ų9495.7 Ų95.750%0.50350%0.498SS..Hα-helixtrans-74-38.2175.6-68.2-10.1000111.3N441 S442 G447 L448 Q449N441-N445 PolarHBondContact O-N 2.87Å; S442-N445 PolarHBondContact O-N 2.88Å; N445-G447 VanDerWaalsContact C-N 3.3Å; N445-G447 PolarHBondContact O-N 2.81Å; N445-L448 WeakPolarHBondContact O-CB 3.4Å; N445-L448 PolarHBondContact O-N 2.81Å; N445-Q449 WeakPolarHBondContact O-CB 2.95Å; N445-Q449 PolarHBondContact O-N 2.83Å
446I37.4Very low38.5Very low67 Ų6792.7 Ų92.734%0.34449%0.485SS..Hα-helixtrans-64.1-33.2176.7-63.8159000111.9S442 L448 Q449 H450S442-I446 VanDerWaalsContact O-CD1 3.25Å; S442-I446 WeakPolarHBondContact O-CD1 3.32Å; S442-I446 WeakPolarHBondContact O-CG1 3.33Å; S442-I446 PolarHBondContact O-N 2.93Å; S442-I446 VanDerWaalsContact O-N 3.15Å; I446-L448 VanDerWaalsContact C-N 3.31Å; I446-L448 PolarHBondContact O-N 3.15Å; I446-Q449 PolarHBondContact O-N 3.28Å; I446-H450 PolarHBondContact O-N 3.22Å
447G31.1Very low38.8Very low36 Ų3689.6 Ų89.637%0.37147%0.472SS..Hα-helixtrans-73.8-16.3173.600000114.8Q443 N445 R451Q443-G447 PolarHBondContact O-N 3.48Å; N445-G447 VanDerWaalsContact C-N 3.3Å; N445-G447 PolarHBondContact O-N 2.81Å; G447-R451 PolarHBondContact O-NE 2.85Å; G447-R451 PolarHBondContact O-NH2 3.24Å
448L33.7Very low39.3Very low56 Ų5687.5 Ų87.529%0.29345%0.446SS..Hα-helixtrans-90-28.8170.2-137.590.8000111.1I352 N445 I446 H450 R451I352-L448 HydrophobicContact CG1-CD2 3.66Å; N445-L448 WeakPolarHBondContact O-CB 3.4Å; N445-L448 PolarHBondContact O-N 2.81Å; I446-L448 VanDerWaalsContact C-N 3.31Å; I446-L448 PolarHBondContact O-N 3.15Å; L448-H450 PolarHBondContact O-N 2.04Å; L448-R451 VanDerWaalsContact O-CB 3.25Å; L448-R451 WeakPolarHBondContact O-CB 3.11Å; L448-R451 PolarHBondContact O-N 2.87Å; L448-R451 VanDerWaalsContact O-N 3.07Å
449Q33.8Very low40Very low88 Ų8885 Ų8541%0.41143%0.434SS..Hα-helixtrans-72.3-23.1-175.4-155.9164.2-19.300113.8L345 N445 I446L345-Q449 WeakPolarHBondContact CD1-O 3.3Å; L345-Q449 WeakPolarHBondContact CD2-O 3.21Å; N445-Q449 WeakPolarHBondContact O-CB 2.95Å; N445-Q449 PolarHBondContact O-N 2.83Å; I446-Q449 PolarHBondContact O-N 3.28Å
450H34.8Very low41.3Very low133 Ų13382.4 Ų82.462%0.61643%0.427SS*.THydrogen-bonded Turntrans-86.5-3.9168.2-79.4-75000114.1R415 I446 L448R415-H450 PolarHBondContact NH1-O 3.35Å; I446-H450 PolarHBondContact O-N 3.22Å; L448-H450 PolarHBondContact O-N 2.04Å
451R37Very low43.1Very low120 Ų12075.1 Ų75.145%0.45340%0.396SS..SBendtrans-89.5-22.6-164.3-130.3-179.7-68.6-153.72.8113.8R415 G447 L448 I455R415-R451 PolarHBondContact NH1-O 2.82Å; G447-R451 PolarHBondContact O-NE 2.85Å; G447-R451 PolarHBondContact O-NH2 3.24Å; L448-R451 VanDerWaalsContact O-CB 3.25Å; L448-R451 WeakPolarHBondContact O-CB 3.11Å; L448-R451 PolarHBondContact O-N 2.87Å; L448-R451 VanDerWaalsContact O-N 3.07Å; R451-I455 WeakPolarHBondContact O-CD1 3.47Å; R451-I455 WeakPolarHBondContact O-CG1 3.11Å
452F34.9Very low45.2Very low46 Ų4671.1 Ų71.120%0.20237%0.374CS..SBendtrans-101.8-25.8-165.9-99.1-91.5000117.7L345 L351 V355 D454 I455L345-F452 HydrophobicContact CD2-CB 4.16Å; L351-F452 HydrophobicContact CD1-CB 3.91Å; L351-F452 HydrophobicContact CD1-CG 4.21Å; L351-F452 HydrophobicContact CD2-CB 4.13Å; L351-F452 HydrophobicContact CD2-CD1 3.53Å; L351-F452 HydrophobicContact CD2-CE1 4.16Å; L351-F452 HydrophobicContact CD2-CG 3.82Å; L351-F452 HydrophobicContact CG-CG 4.45Å; V355-F452 HydrophobicContact CG2-CD2 4.25Å; V355-F452 HydrophobicContact CG2-CE1 4.34Å; V355-F452 HydrophobicContact CG2-CE2 3.07Å; V355-F452 HydrophobicContact CG2-CZ 3.13Å; F452-D454 PolarHBondContact O-N 2.94Å; F452-I455 HydrophobicContact CB-CD1 4.33Å; F452-I455 HydrophobicContact CD1-CD1 3.48Å; F452-I455 VanDerWaalsContact CD1-CD1 3.48Å; F452-I455 HydrophobicContact CD2-CD1 4.13Å; F452-I455 HydrophobicContact CE1-CD1 3.58Å; F452-I455 HydrophobicContact CE2-CD1 4.16Å; F452-I455 HydrophobicContact CG-CD1 3.77Å; F452-I455 HydrophobicContact CZ-CD1 3.9Å
453N36.4Very low47.3Very low45 Ų4568.5 Ų68.524%0.24135%0.354CS..THydrogen-bonded Turntrans-72.2-29.2-170.7-88.410.7000115.9D343 I344 L345D343-N453 PolarHBondContact OD1-ND2 3.39Å; I344-N453 WeakPolarHBondContact CG2-OD1 3.28Å; L345-N453 HydrophobicContact CD1-CB 4.23Å; L345-N453 VanDerWaalsContact CD1-CG 3.48Å; L345-N453 WeakPolarHBondContact CD1-ND2 3.4Å; L345-N453 HydrophobicContact CD2-CB 4.47Å; L345-N453 WeakPolarHBondContact CD2-OD1 3.47Å; L345-N453 HydrophobicContact CG-CB 4.36Å; L345-N453 VanDerWaalsContact CG-ND2 3.26Å; L345-N453 WeakPolarHBondContact CG-ND2 3.48Å; L345-N453 WeakPolarHBondContact CG-OD1 3.15Å
454D46.6Very low49.5Very low86 Ų8664.3 Ų64.346%0.4634%0.335SS..THydrogen-bonded Turntrans-105.219.4-177.1-50.3-39.4000113.5H411 F452 L456 G457H411-D454 PolarHBondContact CE1-O 3.02Å; F452-D454 PolarHBondContact O-N 2.94Å; D454-L456 PolarHBondContact O-N 3.37Å; D454-G457 PolarHBondContact O-N 3.04Å
455I42.7Very low51.9Low87 Ų8759.2 Ų59.245%0.44631%0.308SS..THydrogen-bonded Turntrans-65.5-21.8-174.4-70179.4000112.8R451 F452R451-I455 WeakPolarHBondContact O-CD1 3.47Å; R451-I455 WeakPolarHBondContact O-CG1 3.11Å; F452-I455 HydrophobicContact CB-CD1 4.33Å; F452-I455 HydrophobicContact CD1-CD1 3.48Å; F452-I455 VanDerWaalsContact CD1-CD1 3.48Å; F452-I455 HydrophobicContact CD2-CD1 4.13Å; F452-I455 HydrophobicContact CE1-CD1 3.58Å; F452-I455 HydrophobicContact CE2-CD1 4.16Å; F452-I455 HydrophobicContact CG-CD1 3.77Å; F452-I455 HydrophobicContact CZ-CD1 3.9Å
456L44.7Very low54.5Low82 Ų8255 Ų5543%0.42929%0.285SS..THydrogen-bonded Turntrans-109-5.7-178.3-71.5118.9000114.3Y279 D454Y279-L456 HydrophobicContact CD1-CD2 3.72Å; Y279-L456 HydrophobicContact CE1-CD2 3.74Å; D454-L456 PolarHBondContact O-N 3.37Å
457G50.6Low56.7Low31 Ų3153 Ų5332%0.3228%0.275SS..SBendtrans-99.7142.4178.300000111.9D454D454-G457 PolarHBondContact O-N 3.04Å
458Y60.1Low59.4Low41 Ų4151.4 Ų51.416%0.16126%0.258CS..  trans-86.9120173.2-58.8-86.2000109.4Y210 S460 E463 F464 I467Y210-Y458 HydrophobicContact CE2-CD2 4.12Å; Y458-S460 VanDerWaalsContact C-N 3.34Å; Y458-E463 HydrophobicContact CD1-CG 4.32Å; Y458-F464 VanDerWaalsContact CD1-CA 3.41Å; Y458-F464 HydrophobicContact CD1-CB 3.73Å; Y458-F464 AromaticContact CD1-CD2 3.95Å; Y458-F464 HydrophobicContact CD1-CD2 3.95Å; Y458-F464 HydrophobicContact CD1-CG 4.36Å; Y458-F464 HydrophobicContact CD2-CB 4.35Å; Y458-F464 AromaticContact CD2-CD2 3.49Å; Y458-F464 HydrophobicContact CD2-CD2 3.49Å; Y458-F464 VanDerWaalsContact CD2-CD2 3.49Å; Y458-F464 HydrophobicContact CD2-CE2 4.26Å; Y458-F464 HydrophobicContact CD2-CG 4.36Å; Y458-F464 HydrophobicContact CE1-CB 4.26Å; Y458-F464 AromaticContact CE1-CD2 3.85Å; Y458-F464 HydrophobicContact CE1-CD2 3.85Å; Y458-F464 AromaticContact CE2-CD2 3.42Å; Y458-F464 HydrophobicContact CE2-CD2 3.42Å; Y458-F464 VanDerWaalsContact CE2-CD2 3.42Å; Y458-F464 AromaticContact CE2-CE2 3.88Å; Y458-F464 HydrophobicContact CE2-CE2 3.88Å; Y458-F464 HydrophobicContact CG-CB 3.75Å; Y458-F464 AromaticContact CG-CD2 3.75Å; Y458-F464 HydrophobicContact CG-CD2 3.75Å; Y458-F464 HydrophobicContact CG-CG 4.24Å; Y458-F464 AromaticContact CZ-CD2 3.58Å; Y458-I467 HydrophobicContact CD1-CD1 4.42Å; Y458-I467 HydrophobicContact CE1-CB 4.44Å; Y458-I467 HydrophobicContact CE1-CD1 3.89Å
459H60.2Low62Low120 Ų12051.1 Ų51.156%0.55625%0.254SS*.SBendtrans-78.7-24179-171.5-67.8000111.8E463H459-E463 PolarHBondContact N-OE2 3.19Å
460S69.5Low64.6Low45 Ų4546.9 Ų46.932%0.31524%0.235SC..SBendtrans-135143.5-178.8-178.10000111.1Y458 L462 E463 F464Y458-S460 VanDerWaalsContact C-N 3.34Å; S460-L462 PolarHBondContact O-N 3.12Å; S460-L462 PolarHBondContact OG-N 2.94Å; S460-E463 WeakPolarHBondContact O-CB 3.37Å; S460-E463 PolarHBondContact O-N 3.19Å; S460-F464 PolarHBondContact O-N 3.21Å; S460-F464 VanDerWaalsContact O-N 3.14Å
461T78.1Confident67.2Low8 Ų841.1 Ų41.15%0.04921%0.208CC..Hα-helixtrans-54.2-33.4168-58.70000111.9P45 N46 V47 F464 S465P45-T461 WeakPolarHBondContact O-CG2 3.31Å; P45-T461 PolarHBondContact O-OG1 3.37Å; N46-T461 VanDerWaalsContact CA-OG1 3.23Å; N46-T461 WeakPolarHBondContact CA-OG1 3.31Å; V47-T461 HydrophobicContact CG2-CG2 3.94Å; V47-T461 PolarHBondContact N-OG1 2.96Å; T461-F464 PolarHBondContact O-N 3.03Å; T461-S465 WeakPolarHBondContact O-CB 3.42Å; T461-S465 PolarHBondContact O-N 2.71Å; T461-S465 PolarHBondContact O-OG 2.68Å
462L81.6Confident69.8Low30 Ų3036.7 Ų36.716%0.15719%0.193CC..Hα-helixtrans-65.5-41.3176.9-17965.8000112.3V38 G41 L42 I410 S460 S465 L466V38-L462 HydrophobicContact CB-CD1 4.43Å; V38-L462 HydrophobicContact CG1-CD1 4.11Å; G41-L462 PolarHBondContact O-N 2.91Å; L42-L462 HydrophobicContact CD2-CD2 4.45Å; I410-L462 HydrophobicContact CD1-CD2 4.02Å; I410-L462 HydrophobicContact CD1-CG 4.42Å; S460-L462 PolarHBondContact O-N 3.12Å; S460-L462 PolarHBondContact OG-N 2.94Å; L462-S465 PolarHBondContact O-OG 3.3Å; L462-L466 HydrophobicContact CD1-CD1 3.99Å; L462-L466 HydrophobicContact CD1-CG 4.13Å; L462-L466 HydrophobicContact CG-CD1 3.92Å; L462-L466 HydrophobicContact CG-CG 4.45Å; L462-L466 VanDerWaalsContact O-CB 3.26Å; L462-L466 WeakPolarHBondContact O-CB 3.49Å; L462-L466 WeakPolarHBondContact O-CD1 3.02Å; L462-L466 WeakPolarHBondContact O-CG 3.34Å; L462-L466 PolarHBondContact O-N 2.91Å
463E80.1Confident72.4Confident12 Ų1234.9 Ų34.96%0.05619%0.187CC..Hα-helixtrans-64.3-47.6177.7-173-168.4164.300110.5H411 Y458 H459 S460 I467H411-E463 WeakPolarHBondContact CB-OE1 3.39Å; H411-E463 IonicContact CE1-OE1 2.99Å; H411-E463 IonicContact CG-OE1 2.74Å; H411-E463 IonicContact CG-OE2 3.09Å; H411-E463 IonicContact ND1-OE1 3.73Å; H411-E463 PolarHBondContact ND1-OE1 3.4Å; H411-E463 IonicContact ND1-OE2 3.86Å; H411-E463 PolarHBondContact ND1-OE2 3.43Å; H411-E463 VanDerWaalsContact ND1-OE2 3.09Å; Y458-E463 HydrophobicContact CD1-CG 4.32Å; H459-E463 PolarHBondContact N-OE2 3.19Å; S460-E463 WeakPolarHBondContact O-CB 3.37Å; S460-E463 PolarHBondContact O-N 3.19Å; E463-I467 HydrophobicContact CG-CD1 3.97Å; E463-I467 WeakPolarHBondContact O-CG1 3.41Å; E463-I467 PolarHBondContact O-N 3.15Å; E463-I467 VanDerWaalsContact O-N 3.11Å
464F80.1Confident75.1Confident11 Ų1132.8 Ų32.85%0.04818%0.176CC..Hα-helixtrans-57.7-53.5176.3177.5-102.6000112.1V47 Y210 F214 Y458 S460 T461 L466 I467 Q468V47-F464 HydrophobicContact CG1-CB 4.39Å; V47-F464 HydrophobicContact CG1-CG 4.27Å; V47-F464 HydrophobicContact CG2-CB 4Å; V47-F464 HydrophobicContact CG2-CD1 3.7Å; V47-F464 HydrophobicContact CG2-CE1 4.45Å; V47-F464 HydrophobicContact CG2-CG 3.93Å; Y210-F464 WeakPolarHBondContact OH-CE2 3.33Å; F214-F464 HydrophobicContact CB-CE1 3.99Å; Y458-F464 VanDerWaalsContact CD1-CA 3.41Å; Y458-F464 HydrophobicContact CD1-CB 3.73Å; Y458-F464 AromaticContact CD1-CD2 3.95Å; Y458-F464 HydrophobicContact CD1-CD2 3.95Å; Y458-F464 HydrophobicContact CD1-CG 4.36Å; Y458-F464 HydrophobicContact CD2-CB 4.35Å; Y458-F464 AromaticContact CD2-CD2 3.49Å; Y458-F464 HydrophobicContact CD2-CD2 3.49Å; Y458-F464 VanDerWaalsContact CD2-CD2 3.49Å; Y458-F464 HydrophobicContact CD2-CE2 4.26Å; Y458-F464 HydrophobicContact CD2-CG 4.36Å; Y458-F464 HydrophobicContact CE1-CB 4.26Å; Y458-F464 AromaticContact CE1-CD2 3.85Å; Y458-F464 HydrophobicContact CE1-CD2 3.85Å; Y458-F464 AromaticContact CE2-CD2 3.42Å; Y458-F464 HydrophobicContact CE2-CD2 3.42Å; Y458-F464 VanDerWaalsContact CE2-CD2 3.42Å; Y458-F464 AromaticContact CE2-CE2 3.88Å; Y458-F464 HydrophobicContact CE2-CE2 3.88Å; Y458-F464 HydrophobicContact CG-CB 3.75Å; Y458-F464 AromaticContact CG-CD2 3.75Å; Y458-F464 HydrophobicContact CG-CD2 3.75Å; Y458-F464 HydrophobicContact CG-CG 4.24Å; Y458-F464 AromaticContact CZ-CD2 3.58Å; S460-F464 PolarHBondContact O-N 3.21Å; S460-F464 VanDerWaalsContact O-N 3.14Å; T461-F464 PolarHBondContact O-N 3.03Å; F464-L466 VanDerWaalsContact C-N 3.35Å; F464-L466 PolarHBondContact O-N 3.37Å; F464-I467 PolarHBondContact O-N 3Å; F464-Q468 HydrophobicContact CZ-CG 4.42Å; F464-Q468 WeakPolarHBondContact O-CB 3.25Å; F464-Q468 PolarHBondContact O-N 3.27Å
465S83.7Confident77.2Confident5 Ų528.8 Ų28.84%0.03515%0.154CC..Hα-helixtrans-62.5-42.7-17674.30000111.4S37 G41 T461 L462 F469S37-S465 WeakPolarHBondContact O-CB 3.33Å; S37-S465 PolarHBondContact O-OG 2.86Å; G41-S465 VanDerWaalsContact CA-OG 3.23Å; G41-S465 WeakPolarHBondContact CA-OG 3.17Å; G41-S465 PolarHBondContact N-OG 2.82Å; T461-S465 WeakPolarHBondContact O-CB 3.42Å; T461-S465 PolarHBondContact O-N 2.71Å; T461-S465 PolarHBondContact O-OG 2.68Å; L462-S465 PolarHBondContact O-OG 3.3Å; S465-F469 VanDerWaalsContact O-CB 3.23Å; S465-F469 WeakPolarHBondContact O-CB 3.3Å; S465-F469 VanDerWaalsContact O-CD2 3.22Å; S465-F469 WeakPolarHBondContact O-CD2 3.47Å; S465-F469 PolarHBondContact O-N 3.4Å
466L87.1Confident79.6Confident5 Ų526.2 Ų26.23%0.02615%0.146CC..Hα-helixtrans-61.7-50.6179-78173.3000111.4S37 V38 F406 A407 I410 L462 F464 T470S37-L466 WeakPolarHBondContact OG-CD2 3.42Å; V38-L466 HydrophobicContact CG2-CD2 3.6Å; F406-L466 HydrophobicContact CD1-CD1 4.28Å; F406-L466 HydrophobicContact CE1-CD1 4.34Å; A407-L466 HydrophobicContact CB-CB 4.44Å; I410-L466 HydrophobicContact CD1-CD1 3.81Å; L462-L466 HydrophobicContact CD1-CD1 3.99Å; L462-L466 HydrophobicContact CD1-CG 4.13Å; L462-L466 HydrophobicContact CG-CD1 3.92Å; L462-L466 HydrophobicContact CG-CG 4.45Å; L462-L466 VanDerWaalsContact O-CB 3.26Å; L462-L466 WeakPolarHBondContact O-CB 3.49Å; L462-L466 WeakPolarHBondContact O-CD1 3.02Å; L462-L466 WeakPolarHBondContact O-CG 3.34Å; L462-L466 PolarHBondContact O-N 2.91Å; F464-L466 VanDerWaalsContact C-N 3.35Å; F464-L466 PolarHBondContact O-N 3.37Å; L466-T470 WeakPolarHBondContact O-CB 3.34Å; L466-T470 PolarHBondContact O-N 2.92Å; L466-T470 PolarHBondContact O-OG1 3.21Å
467I84.8Confident81.8Confident27 Ų2723 Ų2314%0.13813%0.129CC..Hα-helixtrans-61.2-49.8-178.9-70.6169.2000109.8L404 A407 Y458 E463 F464 T470 I471L404-I467 HydrophobicContact CD2-CG1 4.18Å; L404-I467 HydrophobicContact CD2-CG2 4.33Å; A407-I467 HydrophobicContact CB-CD1 4.16Å; A407-I467 HydrophobicContact CB-CG1 3.72Å; Y458-I467 HydrophobicContact CD1-CD1 4.42Å; Y458-I467 HydrophobicContact CE1-CB 4.44Å; Y458-I467 HydrophobicContact CE1-CD1 3.89Å; E463-I467 HydrophobicContact CG-CD1 3.97Å; E463-I467 WeakPolarHBondContact O-CG1 3.41Å; E463-I467 PolarHBondContact O-N 3.15Å; E463-I467 VanDerWaalsContact O-N 3.11Å; F464-I467 PolarHBondContact O-N 3Å; I467-T470 PolarHBondContact O-N 2.91Å; I467-I471 HydrophobicContact CG2-CD1 3.8Å; I467-I471 VanDerWaalsContact O-CG1 3.32Å; I467-I471 WeakPolarHBondContact O-CG1 3.39Å; I467-I471 PolarHBondContact O-N 2.99Å
468Q86Confident83.7Confident1 Ų121.7 Ų21.71%0.00512%0.115CC..Hα-helixtrans-70.3-46-171.7-172.262.44.900112.6E218 N259 F464 T470 I471 N472E218-Q468 WeakPolarHBondContact OE1-CG 3.46Å; E218-Q468 VanDerWaalsContact OE2-CD 3.24Å; E218-Q468 WeakPolarHBondContact OE2-CG 3.45Å; E218-Q468 PolarHBondContact OE2-NE2 3.09Å; N259-Q468 PolarHBondContact ND2-NE2 2.77Å; N259-Q468 PolarHBondContact OD1-NE2 3.04Å; F464-Q468 HydrophobicContact CZ-CG 4.42Å; F464-Q468 WeakPolarHBondContact O-CB 3.25Å; F464-Q468 PolarHBondContact O-N 3.27Å; Q468-T470 VanDerWaalsContact C-N 3.31Å; Q468-T470 PolarHBondContact O-N 3.1Å; Q468-I471 PolarHBondContact O-N 3.18Å; Q468-N472 PolarHBondContact NE2-ND2 2.77Å; Q468-N472 VanDerWaalsContact O-CB 3.31Å; Q468-N472 WeakPolarHBondContact O-CB 3.35Å; Q468-N472 PolarHBondContact O-N 3.08Å; Q468-N472 PolarHBondContact O-ND2 2.95Å
469F88.2Confident85.2Confident50 Ų5019.8 Ų19.822%0.21911%0.107CC..Hα-helixtrans-65.7-36.1176.1-82.4-118000111.6I33 S37 F40 S465 N472 S473I33-F469 HydrophobicContact CG2-CD1 4.01Å; S37-F469 VanDerWaalsContact CB-CG 3.44Å; F40-F469 AromaticContact CD2-CE1 3.97Å; F40-F469 HydrophobicContact CD2-CE1 3.97Å; F40-F469 AromaticContact CD2-CZ 3.88Å; F40-F469 HydrophobicContact CD2-CZ 3.88Å; F40-F469 HydrophobicContact CE2-CE1 4.31Å; F40-F469 HydrophobicContact CE2-CZ 4.38Å; F40-F469 HydrophobicContact CG-CZ 4.48Å; S465-F469 VanDerWaalsContact O-CB 3.23Å; S465-F469 WeakPolarHBondContact O-CB 3.3Å; S465-F469 VanDerWaalsContact O-CD2 3.22Å; S465-F469 WeakPolarHBondContact O-CD2 3.47Å; S465-F469 PolarHBondContact O-N 3.4Å; F469-N472 PolarHBondContact O-N 3.3Å; F469-S473 WeakPolarHBondContact O-CB 3.48Å; F469-S473 PolarHBondContact O-N 2.82Å; F469-S473 PolarHBondContact O-OG 3.2Å
470T90Very high86.6Confident0 Ų017.1 Ų17.10%09%0.094CC..Hα-helixtrans-66-46178.8-62.60000111.4F400 V403 L466 I467 Q468 S473 Y474F400-T470 HydrophobicContact CD2-CG2 3.55Å; F400-T470 HydrophobicContact CE2-CG2 3.9Å; F400-T470 HydrophobicContact CG-CG2 4.46Å; V403-T470 HydrophobicContact CB-CG2 4.11Å; V403-T470 HydrophobicContact CG1-CG2 4Å; V403-T470 WeakPolarHBondContact CG1-OG1 3.36Å; L466-T470 WeakPolarHBondContact O-CB 3.34Å; L466-T470 PolarHBondContact O-N 2.92Å; L466-T470 PolarHBondContact O-OG1 3.21Å; I467-T470 PolarHBondContact O-N 2.91Å; Q468-T470 VanDerWaalsContact C-N 3.31Å; Q468-T470 PolarHBondContact O-N 3.1Å; T470-S473 PolarHBondContact O-OG 2.97Å; T470-Y474 WeakPolarHBondContact O-CB 3.47Å; T470-Y474 PolarHBondContact O-N 2.94Å
471I89.3Confident87.5Confident12 Ų1215.1 Ų15.16%0.0628%0.08CC..Hα-helixtrans-60.8-49.9174.5-67.2169.3000110.6L255 F285 F400 I467 Q468 Y474 I475L255-I471 HydrophobicContact CD1-CG2 3.75Å; F285-I471 HydrophobicContact CE1-CG2 3.61Å; F285-I471 HydrophobicContact CZ-CG2 3.5Å; F400-I471 HydrophobicContact CE2-CG1 3.91Å; F400-I471 HydrophobicContact CZ-CG1 4.01Å; I467-I471 HydrophobicContact CG2-CD1 3.8Å; I467-I471 VanDerWaalsContact O-CG1 3.32Å; I467-I471 WeakPolarHBondContact O-CG1 3.39Å; I467-I471 PolarHBondContact O-N 2.99Å; Q468-I471 PolarHBondContact O-N 3.18Å; I471-Y474 PolarHBondContact O-N 3.34Å; I471-I475 WeakPolarHBondContact O-CG1 3.47Å; I471-I475 PolarHBondContact O-N 2.82Å
472N90.6Very high88Confident26 Ų2615 Ų1514%0.1398%0.079CC..Hα-helixtrans-63.3-47.6-176.6-67.8-24.7000112.1K222 Q468 F469 I475 A476K222-N472 WeakPolarHBondContact CE-OD1 3.22Å; K222-N472 PolarHBondContact NZ-OD1 2.88Å; Q468-N472 PolarHBondContact NE2-ND2 2.77Å; Q468-N472 VanDerWaalsContact O-CB 3.31Å; Q468-N472 WeakPolarHBondContact O-CB 3.35Å; Q468-N472 PolarHBondContact O-N 3.08Å; Q468-N472 PolarHBondContact O-ND2 2.95Å; F469-N472 PolarHBondContact O-N 3.3Å; N472-I475 PolarHBondContact O-N 2.84Å; N472-A476 WeakPolarHBondContact O-CB 3.2Å; N472-A476 PolarHBondContact O-N 3.38Å
473S90.7Very high88.4Confident9 Ų913.6 Ų13.66%0.0637%0.072CC..Hα-helixtrans-68-35179.461.50000112.5F30 F469 T470 L477F30-S473 WeakPolarHBondContact CE2-OG 3.39Å; F469-S473 WeakPolarHBondContact O-CB 3.48Å; F469-S473 PolarHBondContact O-N 2.82Å; F469-S473 PolarHBondContact O-OG 3.2Å; T470-S473 PolarHBondContact O-OG 2.97Å; S473-L477 WeakPolarHBondContact O-CB 3.45Å; S473-L477 PolarHBondContact O-N 2.81Å
474Y91.7Very high88.7Confident1 Ų113.3 Ų13.30%0.0047%0.071CC..Hα-helixtrans-62.6-50.5175.1175.9-96.1000111.2L289 W293 Q396 S397 F400 T470 I471 L477 L478L289-Y474 HydrophobicContact CD1-CE1 4.17Å; W293-Y474 AromaticContact NE1-CZ 3.71Å; W293-Y474 PolarHBondContact NE1-OH 3.44Å; Q396-Y474 HydrophobicContact CB-CE2 4.37Å; Q396-Y474 HydrophobicContact CG-CD2 3.59Å; Q396-Y474 HydrophobicContact CG-CE2 3.58Å; S397-Y474 PolarHBondContact OG-OH 3.19Å; F400-Y474 HydrophobicContact CB-CD2 3.9Å; F400-Y474 HydrophobicContact CB-CE2 4.13Å; F400-Y474 HydrophobicContact CD2-CD1 4.24Å; F400-Y474 AromaticContact CD2-CD2 3.86Å; F400-Y474 HydrophobicContact CD2-CD2 3.86Å; F400-Y474 AromaticContact CD2-CG 3.69Å; F400-Y474 HydrophobicContact CD2-CG 3.69Å; F400-Y474 HydrophobicContact CE2-CD1 4.32Å; F400-Y474 HydrophobicContact CE2-CG 4.14Å; F400-Y474 HydrophobicContact CG-CD2 4.01Å; F400-Y474 HydrophobicContact CG-CE2 4.34Å; F400-Y474 HydrophobicContact CG-CG 4.24Å; T470-Y474 WeakPolarHBondContact O-CB 3.47Å; T470-Y474 PolarHBondContact O-N 2.94Å; I471-Y474 PolarHBondContact O-N 3.34Å; Y474-L477 PolarHBondContact O-N 2.89Å; Y474-L478 HydrophobicContact CD1-CD1 4.09Å; Y474-L478 HydrophobicContact CE1-CD1 3.43Å; Y474-L478 VanDerWaalsContact CE1-CD1 3.43Å; Y474-L478 HydrophobicContact CE1-CG 4.25Å; Y474-L478 WeakPolarHBondContact O-CG 3.44Å; Y474-L478 PolarHBondContact O-N 2.96Å
475I92Very high88.9Confident1 Ų113.5 Ų13.51%0.0057%0.073CC..Hα-helixtrans-68.3-40.4179.2-58.6-58000111.7L248 L251 L252 L255 F285 L289 I471 N472 L477 L478 A479L248-I475 HydrophobicContact CD1-CG2 4.11Å; L251-I475 HydrophobicContact CD2-CD1 3.3Å; L251-I475 HydrophobicContact CG-CD1 3.77Å; L252-I475 HydrophobicContact CD2-CG2 3.72Å; L252-I475 HydrophobicContact CG-CG2 4.35Å; L255-I475 HydrophobicContact CD2-CB 3.9Å; L255-I475 HydrophobicContact CD2-CG1 4.31Å; L255-I475 HydrophobicContact CD2-CG2 3.82Å; F285-I475 HydrophobicContact CZ-CG1 4.43Å; L289-I475 HydrophobicContact CD1-CD1 4.22Å; I471-I475 WeakPolarHBondContact O-CG1 3.47Å; I471-I475 PolarHBondContact O-N 2.82Å; N472-I475 PolarHBondContact O-N 2.84Å; I475-L477 VanDerWaalsContact C-N 3.28Å; I475-L477 PolarHBondContact O-N 2.93Å; I475-L478 HydrophobicContact CD1-CD1 4.46Å; I475-L478 PolarHBondContact O-N 2.85Å; I475-A479 WeakPolarHBondContact O-CB 3.17Å; I475-A479 PolarHBondContact O-N 2.96Å
476A91.7Very high88.7Confident34 Ų3418.7 Ų18.728%0.28110%0.1SC..Hα-helixtrans-59.8-4117500000111.9L225 N472 A479 F480L225-A476 HydrophobicContact CD1-CB 4.36Å; L225-A476 HydrophobicContact CD2-CB 3.78Å; N472-A476 WeakPolarHBondContact O-CB 3.2Å; N472-A476 PolarHBondContact O-N 3.38Å; A476-A479 PolarHBondContact O-N 2.61Å; A476-F480 WeakPolarHBondContact O-CB 3.37Å; A476-F480 PolarHBondContact O-N 3.02Å
477L91.4Very high88.3Confident13 Ų1323.2 Ų23.27%0.06813%0.125CC..Hα-helixtrans-65.6-45.9176.3177.864.3000111.7V26 F30 F392 Q396 S473 Y474 I475 A479 F480 V481V26-L477 HydrophobicContact CG1-CD1 3.04Å; V26-L477 HydrophobicContact CG1-CG 4.5Å; F30-L477 HydrophobicContact CB-CD2 4.31Å; F30-L477 HydrophobicContact CD2-CD2 4.25Å; F30-L477 HydrophobicContact CG-CD2 4.2Å; F392-L477 HydrophobicContact CE2-CD2 4.01Å; F392-L477 HydrophobicContact CE2-CG 4.4Å; F392-L477 HydrophobicContact CZ-CD1 4.29Å; F392-L477 HydrophobicContact CZ-CD2 3.84Å; F392-L477 HydrophobicContact CZ-CG 3.87Å; Q396-L477 HydrophobicContact CG-CD2 4Å; S473-L477 WeakPolarHBondContact O-CB 3.45Å; S473-L477 PolarHBondContact O-N 2.81Å; Y474-L477 PolarHBondContact O-N 2.89Å; I475-L477 VanDerWaalsContact C-N 3.28Å; I475-L477 PolarHBondContact O-N 2.93Å; L477-A479 VanDerWaalsContact C-N 3.26Å; L477-A479 PolarHBondContact O-N 2.78Å; L477-F480 PolarHBondContact O-N 2.83Å; L477-V481 HydrophobicContact CD1-CG2 3.93Å; L477-V481 HydrophobicContact CG-CG2 4.46Å; L477-V481 WeakPolarHBondContact O-CB 3.45Å; L477-V481 WeakPolarHBondContact O-CG2 3.46Å; L477-V481 PolarHBondContact O-N 2.97Å
478L89.9Confident87.9Confident5 Ų522 Ų223%0.02612%0.118CC..Hα-helixtrans-58.8-41.5174.5-68.7-176.9000111.1L248 F392 L393 Y474 I475 V481 Y482L248-L478 HydrophobicContact CD1-CB 4.22Å; F392-L478 HydrophobicContact CE1-CD2 4.15Å; L393-L478 HydrophobicContact CD1-CD2 4.46Å; Y474-L478 HydrophobicContact CD1-CD1 4.09Å; Y474-L478 HydrophobicContact CE1-CD1 3.43Å; Y474-L478 VanDerWaalsContact CE1-CD1 3.43Å; Y474-L478 HydrophobicContact CE1-CG 4.25Å; Y474-L478 WeakPolarHBondContact O-CG 3.44Å; Y474-L478 PolarHBondContact O-N 2.96Å; I475-L478 HydrophobicContact CD1-CD1 4.46Å; I475-L478 PolarHBondContact O-N 2.85Å; L478-V481 PolarHBondContact O-N 2.9Å; L478-Y482 HydrophobicContact CB-CD2 4.23Å; L478-Y482 HydrophobicContact CB-CE2 4.27Å; L478-Y482 HydrophobicContact CD2-CD2 4.48Å; L478-Y482 HydrophobicContact CD2-CE2 3.74Å; L478-Y482 HydrophobicContact CG-CE2 4.45Å; L478-Y482 VanDerWaalsContact O-CB 3.3Å; L478-Y482 WeakPolarHBondContact O-CB 3.01Å; L478-Y482 WeakPolarHBondContact O-CD2 3.21Å; L478-Y482 PolarHBondContact O-N 2.83Å
479A91.9Very high87.2Confident0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-62.6-42.2176.200000113.6L225 F229 L248 L252 I475 A476 L477 S483L225-A479 HydrophobicContact CD1-CB 4.23Å; F229-A479 HydrophobicContact CD2-CB 4.25Å; L248-A479 HydrophobicContact CD1-CB 4.2Å; L248-A479 HydrophobicContact CD2-CB 3.73Å; L248-A479 HydrophobicContact CG-CB 4.38Å; L252-A479 HydrophobicContact CD1-CB 4.27Å; L252-A479 HydrophobicContact CD2-CB 4.45Å; I475-A479 WeakPolarHBondContact O-CB 3.17Å; I475-A479 PolarHBondContact O-N 2.96Å; A476-A479 PolarHBondContact O-N 2.61Å; L477-A479 VanDerWaalsContact C-N 3.26Å; L477-A479 PolarHBondContact O-N 2.78Å; A479-S483 VanDerWaalsContact O-CB 3.26Å; A479-S483 WeakPolarHBondContact O-CB 3.28Å; A479-S483 PolarHBondContact O-N 2.81Å; A479-S483 VanDerWaalsContact O-N 3.09Å
480F90.3Very high86.3Confident64 Ų6428.8 Ų28.828%0.28115%0.153SC..Hα-helixtrans-65.1-44.1175.9-179.2-100.6000112.6M18 V26 W228 A476 L477 S483M18-F480 HydrophobicContact CE-CD1 4.24Å; M18-F480 HydrophobicContact CE-CE1 3.31Å; M18-F480 HydrophobicContact CE-CZ 3.73Å; M18-F480 HydrophobicContact SD-CE1 4.48Å; V26-F480 HydrophobicContact CG1-CD1 4.28Å; V26-F480 HydrophobicContact CG1-CE1 4.42Å; V26-F480 HydrophobicContact CG2-CD1 4.26Å; V26-F480 HydrophobicContact CG2-CE1 3.61Å; V26-F480 HydrophobicContact CG2-CZ 4.44Å; W228-F480 HydrophobicContact CH2-CD2 4.18Å; A476-F480 WeakPolarHBondContact O-CB 3.37Å; A476-F480 PolarHBondContact O-N 3.02Å; L477-F480 PolarHBondContact O-N 2.83Å; F480-S483 PolarHBondContact O-OG 2.87Å
481V88.9Confident85.4Confident4 Ų433.2 Ų33.22%0.02417%0.174CC..Hα-helixtrans-77.4-33.9-173.7172.50000113R14 L15 F392 L477 L478R14-V481 PolarHBondContact N-O 3.16Å; L15-V481 HydrophobicContact CB-CG1 3.59Å; L15-V481 HydrophobicContact CD1-CG1 3.72Å; L15-V481 HydrophobicContact CD2-CG1 4.16Å; L15-V481 HydrophobicContact CG-CG1 4Å; L15-V481 PolarHBondContact N-O 2.88Å; L15-V481 VanDerWaalsContact N-O 3.13Å; F392-V481 HydrophobicContact CD1-CG1 4.05Å; F392-V481 HydrophobicContact CE1-CB 3.94Å; F392-V481 HydrophobicContact CE1-CG1 3.59Å; F392-V481 HydrophobicContact CE1-CG2 4.09Å; F392-V481 HydrophobicContact CE2-CG2 4.23Å; F392-V481 HydrophobicContact CZ-CB 3.97Å; F392-V481 HydrophobicContact CZ-CG1 3.95Å; F392-V481 HydrophobicContact CZ-CG2 3.59Å; L477-V481 HydrophobicContact CD1-CG2 3.93Å; L477-V481 HydrophobicContact CG-CG2 4.46Å; L477-V481 WeakPolarHBondContact O-CB 3.45Å; L477-V481 WeakPolarHBondContact O-CG2 3.46Å; L477-V481 PolarHBondContact O-N 2.97Å; L478-V481 PolarHBondContact O-N 2.9Å
482Y88.1Confident84.6Confident5 Ų534.1 Ų34.12%0.0218%0.178CC..Hα-helixtrans-91-6.9178.3-59.7-29000114.1M13 L15 E244 Q245 L478M13-Y482 HydrophobicContact SD-CD1 3.4Å; M13-Y482 WeakPolarHBondContact SD-CD1 3.49Å; M13-Y482 HydrophobicContact SD-CE1 4.14Å; M13-Y482 HydrophobicContact SD-CG 3.89Å; L15-Y482 HydrophobicContact CD2-CE1 4.46Å; E244-Y482 HydrophobicContact CB-CD1 4.41Å; E244-Y482 HydrophobicContact CB-CD2 3.8Å; E244-Y482 HydrophobicContact CB-CE1 4.44Å; E244-Y482 HydrophobicContact CB-CE2 3.83Å; E244-Y482 HydrophobicContact CB-CG 4.09Å; E244-Y482 HydrophobicContact CG-CE1 4.49Å; E244-Y482 HydrophobicContact CG-CE2 4.23Å; Q245-Y482 WeakPolarHBondContact CG-O 3.44Å; Q245-Y482 PolarHBondContact NE2-O 2.92Å; L478-Y482 HydrophobicContact CB-CD2 4.23Å; L478-Y482 HydrophobicContact CB-CE2 4.27Å; L478-Y482 HydrophobicContact CD2-CD2 4.48Å; L478-Y482 HydrophobicContact CD2-CE2 3.74Å; L478-Y482 HydrophobicContact CG-CE2 4.45Å; L478-Y482 VanDerWaalsContact O-CB 3.3Å; L478-Y482 WeakPolarHBondContact O-CB 3.01Å; L478-Y482 WeakPolarHBondContact O-CD2 3.21Å; L478-Y482 PolarHBondContact O-N 2.83Å
483S89Confident83.6Confident1 Ų137.4 Ų37.41%0.00720%0.196CC..SBendtrans-61.8151.3168.168.50000111.5R14 A479 F480R14-S483 VanDerWaalsContact CB-O 3.25Å; R14-S483 WeakPolarHBondContact CB-O 3.41Å; R14-S483 PolarHBondContact N-O 2.98Å; A479-S483 VanDerWaalsContact O-CB 3.26Å; A479-S483 WeakPolarHBondContact O-CB 3.28Å; A479-S483 PolarHBondContact O-N 2.81Å; A479-S483 VanDerWaalsContact O-N 3.09Å; F480-S483 PolarHBondContact O-OG 2.87Å
484P87.6Confident82.5Confident5 Ų539.4 Ų39.43%0.03221%0.208CC..PPolyproline II helixtrans-70142173.225.7-31.6000111.3V11 M233 F236 T488V11-P484 HydrophobicContact CG1-CB 3.91Å; M233-P484 HydrophobicContact SD-CG 4.23Å; F236-P484 HydrophobicContact CD2-CG 4.3Å; F236-P484 HydrophobicContact CE2-CB 3.93Å; F236-P484 HydrophobicContact CE2-CG 3.65Å; F236-P484 HydrophobicContact CZ-CB 4.31Å; F236-P484 HydrophobicContact CZ-CG 4.47Å; P484-T488 HydrophobicContact CB-CG2 4.08Å; P484-T488 WeakPolarHBondContact CB-OG1 3.29Å
485P84.8Confident81.4Confident16 Ų1644.7 Ų44.710%0.10423%0.231CC..PPolyproline II helixtrans-62.6160.2168.624.1-30.3000111.7P12 T17 N487 T488P12-P485 WeakPolarHBondContact O-CD 3.41Å; T17-P485 HydrophobicContact CG2-CG 3.96Å; P485-N487 PolarHBondContact O-N 3.47Å; P485-N487 VanDerWaalsContact O-N 3.14Å; P485-T488 WeakPolarHBondContact CD-OG1 3.46Å; P485-T488 WeakPolarHBondContact CG-OG1 3.42Å; P485-T488 WeakPolarHBondContact O-CB 3.48Å; P485-T488 PolarHBondContact O-N 3.17Å; P485-T488 PolarHBondContact O-OG1 2.86Å
486N79.7Confident80.1Confident113 Ų11349.5 Ų49.560%0.60426%0.256SS*.THydrogen-bonded Turntrans-61.6-26.5-174-71.9-18.4000114K232K232-N486 PolarHBondContact NZ-OD1 2.91Å
487N77.2Confident78.9Confident100 Ų10051 Ų5154%0.53526%0.26SS..THydrogen-bonded Turntrans-93.13.7-176.5-635.4000113.3P485 Q489 I490 E491P485-N487 PolarHBondContact O-N 3.47Å; P485-N487 VanDerWaalsContact O-N 3.14Å; N487-Q489 VanDerWaalsContact C-N 3.29Å; N487-Q489 PolarHBondContact O-N 3.47Å; N487-I490 PolarHBondContact O-N 2.79Å; N487-I490 VanDerWaalsContact O-N 3.16Å; N487-E491 PolarHBondContact O-N 3.05Å; N487-E491 VanDerWaalsContact O-N 3.11Å
488T77.1Confident77.7Confident1 Ų154.9 Ų54.91%0.00629%0.286CS..Hα-helixtrans-58.9-38-173-55.30000113.6V11 P12 F236 P484 P485 I490 E491 M492V11-T488 HydrophobicContact CG1-CG2 3.89Å; P12-T488 VanDerWaalsContact CD-CG2 3.41Å; P12-T488 HydrophobicContact CG-CG2 3.37Å; F236-T488 HydrophobicContact CE1-CG2 3.75Å; F236-T488 HydrophobicContact CZ-CG2 3.61Å; P484-T488 HydrophobicContact CB-CG2 4.08Å; P484-T488 WeakPolarHBondContact CB-OG1 3.29Å; P485-T488 WeakPolarHBondContact CD-OG1 3.46Å; P485-T488 WeakPolarHBondContact CG-OG1 3.42Å; P485-T488 WeakPolarHBondContact O-CB 3.48Å; P485-T488 PolarHBondContact O-N 3.17Å; P485-T488 PolarHBondContact O-OG1 2.86Å; T488-I490 VanDerWaalsContact C-N 3.32Å; T488-I490 PolarHBondContact O-N 2.79Å; T488-E491 PolarHBondContact O-N 3.4Å; T488-M492 HydrophobicContact CG2-CG 4.32Å; T488-M492 HydrophobicContact CG2-SD 4.1Å; T488-M492 WeakPolarHBondContact O-CB 3.48Å; T488-M492 WeakPolarHBondContact O-CG 3.43Å; T488-M492 PolarHBondContact O-N 2.98Å
489Q71.3Confident76.8Confident84 Ų8458 Ų5839%0.39331%0.308SS..Hα-helixtrans-64.6-41.5-178.6-171.3170.6-8.200110.8F236 N487 M492 D493F236-Q489 HydrophobicContact CZ-CB 4.47Å; N487-Q489 VanDerWaalsContact C-N 3.29Å; N487-Q489 PolarHBondContact O-N 3.47Å; Q489-M492 PolarHBondContact O-N 2.87Å; Q489-D493 WeakPolarHBondContact O-CB 3.45Å; Q489-D493 PolarHBondContact O-N 2.89Å
490I70.2Confident75.4Confident111 Ų11161.7 Ų61.757%0.56933%0.327SS*.Hα-helixtrans-63.9-44.5175.2-61.1163000110.3N487 T488 M492 D493 V494N487-I490 PolarHBondContact O-N 2.79Å; N487-I490 VanDerWaalsContact O-N 3.16Å; T488-I490 VanDerWaalsContact C-N 3.32Å; T488-I490 PolarHBondContact O-N 2.79Å; I490-M492 VanDerWaalsContact C-N 3.31Å; I490-M492 PolarHBondContact O-N 3.12Å; I490-D493 PolarHBondContact O-N 2.97Å; I490-V494 HydrophobicContact CG2-CG2 4.25Å; I490-V494 VanDerWaalsContact O-CB 3.32Å; I490-V494 WeakPolarHBondContact O-CB 3.23Å; I490-V494 WeakPolarHBondContact O-CG2 3.44Å; I490-V494 PolarHBondContact O-N 2.86Å
491E70.9Confident74.1Confident93 Ų9359.9 Ų59.944%0.43532%0.322SS..Hα-helixtrans-62.5-37.3178.6-71.7174.4-165.600112.6N487 T488 K495N487-E491 PolarHBondContact O-N 3.05Å; N487-E491 VanDerWaalsContact O-N 3.11Å; T488-E491 PolarHBondContact O-N 3.4Å; E491-K495 VanDerWaalsContact O-CB 3.3Å; E491-K495 WeakPolarHBondContact O-CB 3.26Å; E491-K495 PolarHBondContact O-N 2.84Å
492M71.9Confident72.8Confident30 Ų3066.6 Ų66.615%0.14836%0.355CS..Hα-helixtrans-72.8-44.1176.2-76.3-17541.500112.3V11 F236 Y240 T488 Q489 I490 V494 K495 D496V11-M492 HydrophobicContact CB-SD 4.45Å; V11-M492 HydrophobicContact CG2-SD 3.95Å; F236-M492 HydrophobicContact CD1-CE 3.69Å; F236-M492 HydrophobicContact CD1-SD 3.43Å; F236-M492 WeakPolarHBondContact CD1-SD 3.47Å; F236-M492 HydrophobicContact CE1-CE 4.14Å; F236-M492 HydrophobicContact CE1-SD 3.45Å; F236-M492 WeakPolarHBondContact CE1-SD 3.26Å; Y240-M492 HydrophobicContact CD2-CE 4.42Å; T488-M492 HydrophobicContact CG2-CG 4.32Å; T488-M492 HydrophobicContact CG2-SD 4.1Å; T488-M492 WeakPolarHBondContact O-CB 3.48Å; T488-M492 WeakPolarHBondContact O-CG 3.43Å; T488-M492 PolarHBondContact O-N 2.98Å; Q489-M492 PolarHBondContact O-N 2.87Å; I490-M492 VanDerWaalsContact C-N 3.31Å; I490-M492 PolarHBondContact O-N 3.12Å; M492-V494 VanDerWaalsContact C-N 3.31Å; M492-V494 PolarHBondContact O-N 3.41Å; M492-K495 PolarHBondContact O-N 2.78Å; M492-K495 VanDerWaalsContact O-N 3.1Å; M492-D496 WeakPolarHBondContact O-CB 3.29Å; M492-D496 PolarHBondContact O-N 3.31Å
493D70.2Confident71.5Confident96 Ų9671.7 Ų71.751%0.51338%0.382SS..Hα-helixtrans-62.5-40.1178.7-68-18.6000111.1Q489 I490 K495 D497Q489-D493 WeakPolarHBondContact O-CB 3.45Å; Q489-D493 PolarHBondContact O-N 2.89Å; I490-D493 PolarHBondContact O-N 2.97Å; D493-K495 VanDerWaalsContact C-N 3.31Å; D493-K495 PolarHBondContact O-N 2.75Å; D493-D497 PolarHBondContact O-N 2.87Å
494V67.5Low69.9Low51 Ų5176.2 Ų76.231%0.30941%0.406SS..Hα-helixtrans-63.7-36.1174.1164.70000111.9I490 M492 L500I490-V494 HydrophobicContact CG2-CG2 4.25Å; I490-V494 VanDerWaalsContact O-CB 3.32Å; I490-V494 WeakPolarHBondContact O-CB 3.23Å; I490-V494 WeakPolarHBondContact O-CG2 3.44Å; I490-V494 PolarHBondContact O-N 2.86Å; M492-V494 VanDerWaalsContact C-N 3.31Å; M492-V494 PolarHBondContact O-N 3.41Å; V494-L500 HydrophobicContact CB-CD2 4.13Å; V494-L500 HydrophobicContact CG1-CB 4.35Å; V494-L500 HydrophobicContact CG1-CD2 3.69Å; V494-L500 HydrophobicContact CG2-CD2 3.78Å
495K67.4Low68.3Low112 Ų11281.9 Ų81.949%0.48744%0.436SS..Hα-helixtrans-78.3-33.7-178.4-171.8169.9-167.7159.30113.2G8 E491 M492 D493 D497G8-K495 VanDerWaalsContact C-NZ 3.33Å; G8-K495 VanDerWaalsContact CA-NZ 3.28Å; G8-K495 WeakPolarHBondContact O-CD 3.37Å; G8-K495 WeakPolarHBondContact O-CE 3.3Å; G8-K495 PolarHBondContact O-NZ 3.08Å; E491-K495 VanDerWaalsContact O-CB 3.3Å; E491-K495 WeakPolarHBondContact O-CB 3.26Å; E491-K495 PolarHBondContact O-N 2.84Å; M492-K495 PolarHBondContact O-N 2.78Å; M492-K495 VanDerWaalsContact O-N 3.1Å; D493-K495 VanDerWaalsContact C-N 3.31Å; D493-K495 PolarHBondContact O-N 2.75Å; K495-D497 VanDerWaalsContact C-N 3.3Å
496D65.1Low67Low101 Ų10184.9 Ų84.954%0.5446%0.457SS..Hα-helixtrans-76.3-20177.9-75.7-14.3000111.9M492 P498M492-D496 WeakPolarHBondContact O-CB 3.29Å; M492-D496 PolarHBondContact O-N 3.31Å; D496-P498 WeakPolarHBondContact O-CD 3.45Å
497D67.7Low65.8Low66 Ų6685.5 Ų85.535%0.35346%0.461SS..  trans-76.9110.3171.4-168.8-24000110.6D493 K495 S499 L500 S501D493-D497 PolarHBondContact O-N 2.87Å; K495-D497 VanDerWaalsContact C-N 3.3Å; D497-S499 VanDerWaalsContact CG-OG 3.3Å; D497-S499 PolarHBondContact O-N 2.83Å; D497-S499 VanDerWaalsContact O-N 3.16Å; D497-S499 WeakPolarHBondContact OD1-CB 3.36Å; D497-S499 PolarHBondContact OD1-N 3.42Å; D497-S499 PolarHBondContact OD1-OG 2.79Å; D497-S499 PolarHBondContact OD2-OG 3.32Å; D497-L500 HydrophobicContact CB-CB 4.15Å; D497-L500 PolarHBondContact O-N 3.15Å; D497-S501 WeakPolarHBondContact O-CB 3.32Å; D497-S501 PolarHBondContact O-N 3.48Å; D497-S501 PolarHBondContact O-OG 2.94Å
498P65.3Low64.4Low95 Ų9587.7 Ų87.762%0.61747%0.468SS*.Hα-helixtrans-61.7-24.7-179.524.9-32.6000112.8D496 S501 M502D496-P498 WeakPolarHBondContact O-CD 3.45Å; P498-S501 VanDerWaalsContact CA-OG 3.29Å; P498-S501 WeakPolarHBondContact CA-OG 3.38Å; P498-S501 PolarHBondContact O-OG 2.76Å; P498-M502 WeakPolarHBondContact O-CG 3.34Å; P498-M502 PolarHBondContact O-N 2.85Å
499S71.5Confident62.8Low70 Ų7094.7 Ų94.749%0.4951%0.505SS..Hα-helixtrans-77.6-36.6179.471.30000112.7D497 I503D497-S499 VanDerWaalsContact CG-OG 3.3Å; D497-S499 PolarHBondContact O-N 2.83Å; D497-S499 VanDerWaalsContact O-N 3.16Å; D497-S499 WeakPolarHBondContact OD1-CB 3.36Å; D497-S499 PolarHBondContact OD1-N 3.42Å; D497-S499 PolarHBondContact OD1-OG 2.79Å; D497-S499 PolarHBondContact OD2-OG 3.32Å; S499-I503 WeakPolarHBondContact O-CD1 3.28Å; S499-I503 WeakPolarHBondContact O-CG1 3.19Å
500L62.7Low61.2Low77 Ų7796.3 Ų96.340%0.40352%0.52SS..Hα-helixtrans-82.2-38.1178.2-115.587.2000112.3V494 D497 M502 I503 N504V494-L500 HydrophobicContact CB-CD2 4.13Å; V494-L500 HydrophobicContact CG1-CB 4.35Å; V494-L500 HydrophobicContact CG1-CD2 3.69Å; V494-L500 HydrophobicContact CG2-CD2 3.78Å; D497-L500 HydrophobicContact CB-CB 4.15Å; D497-L500 PolarHBondContact O-N 3.15Å; L500-M502 VanDerWaalsContact C-N 3.31Å; L500-M502 PolarHBondContact O-N 2.87Å; L500-I503 PolarHBondContact O-N 3.32Å; L500-N504 PolarHBondContact O-N 2.89Å; L500-N504 VanDerWaalsContact O-N 3.13Å
501S61.9Low59.7Low26 Ų2697.7 Ų97.718%0.18253%0.527CS..Hα-helixtrans-62.9-36.4177.353.80000112.3D497 P498 I503 N504 D505D497-S501 WeakPolarHBondContact O-CB 3.32Å; D497-S501 PolarHBondContact O-N 3.48Å; D497-S501 PolarHBondContact O-OG 2.94Å; P498-S501 VanDerWaalsContact CA-OG 3.29Å; P498-S501 WeakPolarHBondContact CA-OG 3.38Å; P498-S501 PolarHBondContact O-OG 2.76Å; S501-I503 PolarHBondContact O-N 3.32Å; S501-N504 PolarHBondContact O-N 2.95Å; S501-D505 VanDerWaalsContact O-CB 3.24Å; S501-D505 WeakPolarHBondContact O-CB 3.24Å; S501-D505 PolarHBondContact O-N 2.95Å
502M61.3Low57.9Low145 Ų145103.8 Ų103.871%0.71455%0.548SS*.Hα-helixtrans-68.2-30.4174.8-79-169.46500114.1P498 L500 S506P498-M502 WeakPolarHBondContact O-CG 3.34Å; P498-M502 PolarHBondContact O-N 2.85Å; L500-M502 VanDerWaalsContact C-N 3.31Å; L500-M502 PolarHBondContact O-N 2.87Å; M502-S506 PolarHBondContact O-N 3.32Å
503I60.9Low55.9Low113 Ų113111.4 Ų111.458%0.57958%0.583SS**Hα-helixtrans-73.9-36.6176.6-70.2168.1000110.4S499 L500 S501 S506S499-I503 WeakPolarHBondContact O-CD1 3.28Å; S499-I503 WeakPolarHBondContact O-CG1 3.19Å; L500-I503 PolarHBondContact O-N 3.32Å; S501-I503 PolarHBondContact O-N 3.32Å; I503-S506 PolarHBondContact O-OG 3.02Å
504N55.2Low54.1Low95 Ų95110.7 Ų110.751%0.50859%0.586SS.*Hα-helixtrans-84.9-31.2-178.4-155.556.2000112.8L500 S501 S506L500-N504 PolarHBondContact O-N 2.89Å; L500-N504 VanDerWaalsContact O-N 3.13Å; S501-N504 PolarHBondContact O-N 2.95Å; N504-S506 VanDerWaalsContact C-N 3.31Å
505D54.8Low52.7Low124 Ų124113.5 Ų113.566%0.66360%0.599SS**Hα-helixtrans-75.5-15.7173.6-80.9-12.1000112.5S501S501-D505 VanDerWaalsContact O-CB 3.24Å; S501-D505 WeakPolarHBondContact O-CB 3.24Å; S501-D505 PolarHBondContact O-N 2.95Å
506S57.2Low51.5Low80 Ų80114.2 Ų114.256%0.55961%0.613SS**THydrogen-bonded Turntrans-81-18.9174.377.20000114.2M502 I503 N504M502-S506 PolarHBondContact O-N 3.32Å; I503-S506 PolarHBondContact O-OG 3.02Å; N504-S506 VanDerWaalsContact C-N 3.31Å
507D54.3Low50.4Low126 Ų126117.1 Ų117.167%0.67462%0.624SS**THydrogen-bonded Turntrans-112.9-6.5-169.2-74.48000114
508E48.6Very low49.2Very low145 Ų145117.2 Ų117.268%0.67863%0.627SS**  trans-100.413.7-179.2-79.3-84.9160.600114.7V510E508-V510 PolarHBondContact O-N 2.78Å; E508-V510 VanDerWaalsContact O-N 3.16Å
509D42.6Very low48Very low149 Ų149118.9 Ų118.980%0.79762%0.624SS**SBendtrans-81.236.4170.2-89-19.4000112.8
510V38.6Very low46.7Very low117 Ų117120.3 Ų120.371%0.70963%0.63SS**  trans-151.7142.9174.2-161.50000111.7E508E508-V510 PolarHBondContact O-N 2.78Å; E508-V510 VanDerWaalsContact O-N 3.16Å
511I37.3Very low45.6Very low140 Ų140124.1 Ų124.172%0.71864%0.643SS**SBendtrans90.954.3166.3-33.6168.5000116.8
512Y33.1Very low44.7Very low221 Ų221128.5 Ų128.587%0.86766%0.664SS**SBendtrans-146.745.4142.1-97.8-75.7000111.4
513E31.4Very low44Very low190 Ų190129.7 Ų129.789%0.88867%0.666SS**SBendtrans-157.168.1170.6-161.9169.7-150.600111.2
514S32.7Very low43.4Very low82 Ų82128.5 Ų128.557%0.57367%0.667SS**  trans176.876.6160.659.20000112.9
515D36.5Very low43.1Very low110 Ų110131.6 Ų131.659%0.58868%0.679SS**SBendtrans-149.94.5166.4-109.2-31.8000117.5K519D515-K519 IonicContact OD1-NZ 3.64Å; D515-K519 PolarHBondContact OD1-NZ 3.22Å
516T42.6Very low42.8Very low127 Ų127136.7 Ų136.778%0.77969%0.689SS**SBendtrans-123.6-9.5173.641.10000115.2T520T516-T520 PolarHBondContact O-OG1 3.48Å
517E42.3Very low42.2Very low162 Ų162140.7 Ų140.776%0.75770%0.7SS**SBendtrans-110.3-23.3173.4-68.7-172.2160.200113.7T520 F521E517-T520 PolarHBondContact O-N 3.12Å; E517-F521 PolarHBondContact O-N 3.04Å
518T41.2Very low41.9Very low68 Ų68146.8 Ų146.842%0.41773%0.725SS.*Hα-helixtrans-79.8-21.4179.2-23.80000113.5T520 L522T518-T520 VanDerWaalsContact C-N 3.32Å; T518-L522 HydrophobicContact CG2-CD1 4.39Å; T518-L522 PolarHBondContact O-N 2.99Å
519K41.3Very low41.5Very low130 Ų130146.9 Ų146.957%0.56573%0.727SS**Hα-helixtrans-78.2-16.2174.6-77.7173.7176.5134.60113.1D515 F523D515-K519 IonicContact OD1-NZ 3.64Å; D515-K519 PolarHBondContact OD1-NZ 3.22Å; K519-F523 WeakPolarHBondContact O-CD2 3.37Å
520T43.2Very low41.5Very low99 Ų99146.8 Ų146.861%0.60772%0.723SS**Hα-helixtrans-92.9-27.9177.6-160000111.9T516 E517 T518T516-T520 PolarHBondContact O-OG1 3.48Å; E517-T520 PolarHBondContact O-N 3.12Å; T518-T520 VanDerWaalsContact C-N 3.32Å
521F41.3Very low41.6Very low157 Ų157148.4 Ų148.469%0.68972%0.724SS**Hα-helixtrans-81.1-31.8176.9-102.8-88.9000114.1E517 S524E517-F521 PolarHBondContact O-N 3.04Å; F521-S524 PolarHBondContact O-N 3.1Å
522L42.9Very low41.9Very low118 Ų118148.9 Ų148.962%0.61872%0.724SS**THydrogen-bonded Turntrans-80.2-14.9179.1-74.7168000114.3T518T518-L522 HydrophobicContact CG2-CD1 4.39Å; T518-L522 PolarHBondContact O-N 2.99Å
523F46Very low42.5Very low171 Ų171144.4 Ų144.475%0.7572%0.715SS**THydrogen-bonded Turntrans-88.1-13.6170.6-92.2-83.7000113.6K519K519-F523 WeakPolarHBondContact O-CD2 3.37Å
524S48.2Very low43.2Very low87 Ų87141.4 Ų141.461%0.60870%0.704SS**THydrogen-bonded Turntrans-91.7-12.5178.9-176.10000114.1F521F521-S524 PolarHBondContact O-N 3.1Å
525Q49.8Very low43.9Very low161 Ų161145.6 Ų145.675%0.75271%0.713SS**SBendtrans-105.87.9-177.3-96.1-177.1-23.600114.6
526R47.7Very low44.5Very low231 Ų231148.4 Ų148.487%0.87272%0.723SS**SBendtrans-110.814173.7-90.4-173.4-171.4174.94.2114.3
527M44.9Very low44.7Very low163 Ų163150.2 Ų150.280%0.80372%0.718SS**  trans-124.632.5177.5-73.8-143.7-86.600113.8
528H47.1Very low44.9Very low255 Ų255149.1 Ų149.1100%1.18172%0.715SS**  trans-138.70164.9-94.7-64.2000111.6

Retrieved 528 of 528 residues in 305.3 ms (Link to these results)

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