A0A087X4X1_POEFO Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed to be not involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A087X4X1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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
1R32.4Very low59.6Low309 Ų309122.7 Ų122.7100%1.16664%0.638SS**  01250-80.9-179.2176.2175.9-1.3108.4
2T29.2Very low62.6Low133 Ų133116.7 Ų116.782%0.81660%0.604SS**  trans-54.3123.3-163.936.80000113.8K4T2-K4 PolarHBondContact O-N 3.43Å
3A37.3Very low65.1Low70 Ų70117.8 Ų117.858%0.57961%0.605SS**  trans-75.277.8165.100000108.7M5 L10A3-M5 PolarHBondContact O-N 3.36Å; A3-L10 HydrophobicContact CB-CD1 4.11Å
4K40.7Very low67.4Low200 Ų200114.1 Ų114.187%0.8758%0.584SS**  trans-85.490.6165.7-108.2-175.8172.7-174.70107.8T2T2-K4 PolarHBondContact O-N 3.43Å
5M50.6Low69.3Low103 Ų103112.9 Ų112.951%0.50757%0.572SS.*  trans-96.3132.7158.2-74.7-87.4-70.300106.5A3 S7 L10A3-M5 PolarHBondContact O-N 3.36Å; M5-S7 PolarHBondContact O-N 3.09Å; M5-L10 HydrophobicContact CG-CD2 4.37Å
6A54.7Low71.1Confident57 Ų57108.5 Ų108.547%0.47155%0.553SS.*SBendtrans-58.11-176.600000116.5E152A6-E152 HydrophobicContact CB-CB 4.34Å; A6-E152 WeakPolarHBondContact CB-OE2 3.23Å; A6-E152 WeakPolarHBondContact O-CB 3.34Å; A6-E152 WeakPolarHBondContact O-CG 3.46Å
7S59.4Low72.7Confident79 Ų79107.9 Ų107.955%0.55255%0.549SS*.SBendtrans-155.1-13.9-173.464.60000119.4M5M5-S7 PolarHBondContact O-N 3.09Å
8A75.3Confident74.1Confident65 Ų65107.2 Ų107.254%0.53754%0.538SS..  trans-158.2150.6-177.700000115.3
9Y88Confident75.4Confident224 Ų224102.2 Ų102.288%0.87851%0.513SS*.PPolyproline II helixtrans-60.4142.9162.7-60.4-82000110.3T11Y9-T11 PolarHBondContact O-N 3.2Å
10L92.6Very high76.5Confident39 Ų3999.6 Ų99.620%0.20450%0.498CS..PPolyproline II helixtrans-72.3127.5179.9-59.8177.3000111.3A3 M5 K15 R18A3-L10 HydrophobicContact CB-CD1 4.11Å; M5-L10 HydrophobicContact CG-CD2 4.37Å; L10-K15 HydrophobicContact CB-CG 4.02Å; L10-K15 WeakPolarHBondContact O-CE 3.21Å; L10-R18 VanDerWaalsContact CD1-NH1 3.3Å; L10-R18 VanDerWaalsContact CD2-NH2 3.35Å
11T95.4Very high77.6Confident71 Ų71101.5 Ų101.544%0.43650%0.503SS..PPolyproline II helixtrans-68.5159.1171.471.30000110.8Y9 Q13 Q14 K15Y9-T11 PolarHBondContact O-N 3.2Å; T11-Q13 VanDerWaalsContact C-N 3.32Å; T11-Q13 PolarHBondContact O-N 3.44Å; T11-Q14 WeakPolarHBondContact O-CB 3.47Å; T11-Q14 PolarHBondContact O-N 3.21Å; T11-Q14 VanDerWaalsContact O-N 3.12Å; T11-Q14 VanDerWaalsContact OG1-CG 3.29Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.49Å; T11-Q14 PolarHBondContact OG1-N 3.14Å; T11-K15 WeakPolarHBondContact O-CG 3.4Å; T11-K15 PolarHBondContact O-N 3.29Å
12H95.4Very high80.7Confident50 Ų5092.5 Ų92.523%0.23147%0.472CS..Hα-helixtrans-55.2-47.3176.2176.3-81.4000111.5Q14 K15 V16 M57 A60H12-Q14 VanDerWaalsContact C-N 3.32Å; H12-Q14 PolarHBondContact O-N 3.37Å; H12-K15 WeakPolarHBondContact O-CB 3.27Å; H12-K15 PolarHBondContact O-N 3.27Å; H12-V16 VanDerWaalsContact CE1-CG2 3.49Å; H12-V16 WeakPolarHBondContact CE1-CG2 3.2Å; H12-V16 WeakPolarHBondContact O-CG2 3.37Å; H12-V16 PolarHBondContact O-N 3.34Å; H12-M57 HydrophobicContact CB-CE 3.92Å; H12-A60 VanDerWaalsContact NE2-C 3.33Å; H12-A60 PolarHBondContact NE2-O 3.42Å
13Q95.8Very high84Confident132 Ų13287 Ų8762%0.61744%0.439SS*.Hα-helixtrans-54.7-45.2175-171.1-164.83.200112.3T11 K15 V16 M17T11-Q13 VanDerWaalsContact C-N 3.32Å; T11-Q13 PolarHBondContact O-N 3.44Å; Q13-K15 VanDerWaalsContact C-N 3.33Å; Q13-K15 PolarHBondContact O-N 3.07Å; Q13-V16 PolarHBondContact O-N 3.39Å; Q13-M17 HydrophobicContact CG-CE 4.08Å; Q13-M17 HydrophobicContact CG-SD 4.5Å; Q13-M17 WeakPolarHBondContact O-CG 3.44Å; Q13-M17 PolarHBondContact O-N 2.9Å
14Q96.4Very high86.9Confident66 Ų6685 Ų8531%0.30842%0.419SS..Hα-helixtrans-63.7-37.3177.6-73.2170.5-18.100112.4T11 H12 M17 R18T11-Q14 WeakPolarHBondContact O-CB 3.47Å; T11-Q14 PolarHBondContact O-N 3.21Å; T11-Q14 VanDerWaalsContact O-N 3.12Å; T11-Q14 VanDerWaalsContact OG1-CG 3.29Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.49Å; T11-Q14 PolarHBondContact OG1-N 3.14Å; H12-Q14 VanDerWaalsContact C-N 3.32Å; H12-Q14 PolarHBondContact O-N 3.37Å; Q14-M17 HydrophobicContact CB-CE 4.5Å; Q14-M17 HydrophobicContact CG-CE 4.1Å; Q14-R18 WeakPolarHBondContact O-CB 3.38Å; Q14-R18 WeakPolarHBondContact O-CG 3.49Å; Q14-R18 PolarHBondContact O-N 3.18Å
15K97Very high89.6Confident95 Ų9580.1 Ų80.141%0.41340%0.395SS..Hα-helixtrans-64.8-46.5175.1-64.6176.3-175.91800111.2L10 T11 H12 Q13 M17 R18 L19 L64L10-K15 HydrophobicContact CB-CG 4.02Å; L10-K15 WeakPolarHBondContact O-CE 3.21Å; T11-K15 WeakPolarHBondContact O-CG 3.4Å; T11-K15 PolarHBondContact O-N 3.29Å; H12-K15 WeakPolarHBondContact O-CB 3.27Å; H12-K15 PolarHBondContact O-N 3.27Å; Q13-K15 VanDerWaalsContact C-N 3.33Å; Q13-K15 PolarHBondContact O-N 3.07Å; K15-M17 PolarHBondContact O-N 2.93Å; K15-R18 PolarHBondContact O-N 3.34Å; K15-L19 PolarHBondContact O-N 3.4Å; K15-L64 HydrophobicContact CB-CD2 3.7Å; K15-L64 HydrophobicContact CD-CD2 4.16Å
16V97.8Very high91.9Very high43 Ų4376.7 Ų76.726%0.26138%0.377SS..Hα-helixtrans-58.3-47.8175.2175.90000111.2H12 Q13 R18 L19 Y20 F48 L64H12-V16 VanDerWaalsContact CE1-CG2 3.49Å; H12-V16 WeakPolarHBondContact CE1-CG2 3.2Å; H12-V16 WeakPolarHBondContact O-CG2 3.37Å; H12-V16 PolarHBondContact O-N 3.34Å; Q13-V16 PolarHBondContact O-N 3.39Å; V16-R18 VanDerWaalsContact C-N 3.31Å; V16-R18 PolarHBondContact O-N 3.35Å; V16-L19 PolarHBondContact O-N 2.92Å; V16-Y20 WeakPolarHBondContact O-CB 3.4Å; V16-Y20 PolarHBondContact O-N 2.8Å; V16-F48 HydrophobicContact CG1-CD1 4.2Å; V16-F48 HydrophobicContact CG1-CE1 4.14Å; V16-L64 HydrophobicContact CG2-CD1 4.03Å; V16-L64 HydrophobicContact CG2-CD2 4.43Å
17M97.7Very high94Very high98 Ų9875.6 Ų75.648%0.48336%0.363SS..Hα-helixtrans-62-37.9178.2-71.5-171.7-64.500112.6Q13 Q14 K15 K21Q13-M17 HydrophobicContact CG-CE 4.08Å; Q13-M17 HydrophobicContact CG-SD 4.5Å; Q13-M17 WeakPolarHBondContact O-CG 3.44Å; Q13-M17 PolarHBondContact O-N 2.9Å; Q14-M17 HydrophobicContact CB-CE 4.5Å; Q14-M17 HydrophobicContact CG-CE 4.1Å; K15-M17 PolarHBondContact O-N 2.93Å; M17-K21 WeakPolarHBondContact O-CB 3.34Å; M17-K21 PolarHBondContact O-N 3.3Å
18R97.8Very high95.8Very high96 Ų9674.3 Ų74.336%0.36235%0.349SS..Hα-helixtrans-67.8-43.1175.8-74.9173.1-178.5-143.4-2.4111.6L10 Q14 K15 V16 K21 K22L10-R18 VanDerWaalsContact CD1-NH1 3.3Å; L10-R18 VanDerWaalsContact CD2-NH2 3.35Å; Q14-R18 WeakPolarHBondContact O-CB 3.38Å; Q14-R18 WeakPolarHBondContact O-CG 3.49Å; Q14-R18 PolarHBondContact O-N 3.18Å; K15-R18 PolarHBondContact O-N 3.34Å; V16-R18 VanDerWaalsContact C-N 3.31Å; V16-R18 PolarHBondContact O-N 3.35Å; R18-K21 PolarHBondContact O-N 2.89Å; R18-K22 WeakPolarHBondContact O-CB 3.22Å; R18-K22 VanDerWaalsContact O-CG 3.3Å; R18-K22 WeakPolarHBondContact O-CG 3.48Å; R18-K22 PolarHBondContact O-N 3.49Å
19L98.3Very high96.9Very high12 Ų1272 Ų726%0.06333%0.329CS..Hα-helixtrans-59-51.2173.7178.261.9000110.1K15 V16 K21 K22 S23 F48 L64 E68 F71K15-L19 PolarHBondContact O-N 3.4Å; V16-L19 PolarHBondContact O-N 2.92Å; L19-K21 PolarHBondContact O-N 3.39Å; L19-K22 WeakPolarHBondContact O-CB 3.47Å; L19-K22 PolarHBondContact O-N 2.85Å; L19-K22 VanDerWaalsContact O-N 3.1Å; L19-S23 PolarHBondContact O-N 2.84Å; L19-S23 PolarHBondContact O-OG 3.3Å; L19-F48 HydrophobicContact CD2-CZ 4.4Å; L19-F48 HydrophobicContact CG-CZ 4.31Å; L19-L64 HydrophobicContact CB-CD1 4.35Å; L19-L64 HydrophobicContact CD2-CD1 3.75Å; L19-E68 HydrophobicContact CD1-CG 4.16Å; L19-E68 HydrophobicContact CD2-CG 4.11Å; L19-F71 HydrophobicContact CD1-CB 3.78Å; L19-F71 HydrophobicContact CD1-CD1 4.41Å; L19-F71 HydrophobicContact CD1-CG 3.98Å
20Y98.5Very high97.3Very high50 Ų5067.9 Ų67.920%0.19631%0.312CS..Hα-helixtrans-54.5-49178.2179-112.5000112.7V16 K22 S23 L24 R45 F48V16-Y20 WeakPolarHBondContact O-CB 3.4Å; V16-Y20 PolarHBondContact O-N 2.8Å; Y20-K22 PolarHBondContact O-N 3.48Å; Y20-S23 PolarHBondContact O-N 3.15Å; Y20-L24 HydrophobicContact CD1-CD1 4.21Å; Y20-L24 HydrophobicContact CE1-CD1 3.57Å; Y20-L24 HydrophobicContact CE1-CG 4.49Å; Y20-L24 HydrophobicContact CE2-CD1 4.05Å; Y20-L24 HydrophobicContact CE2-CG 4.19Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.46Å; Y20-L24 PolarHBondContact O-N 3.19Å; Y20-R45 WeakPolarHBondContact OH-CD 3.4Å; Y20-F48 HydrophobicContact CD2-CB 4.43Å; Y20-F48 HydrophobicContact CD2-CD1 4.04Å; Y20-F48 AromaticContact CD2-CD2 3.69Å; Y20-F48 HydrophobicContact CD2-CD2 3.69Å; Y20-F48 HydrophobicContact CD2-CE1 4.18Å; Y20-F48 AromaticContact CD2-CE2 3.83Å; Y20-F48 HydrophobicContact CD2-CE2 3.83Å; Y20-F48 AromaticContact CD2-CG 3.79Å; Y20-F48 HydrophobicContact CD2-CG 3.79Å; Y20-F48 HydrophobicContact CD2-CZ 4.07Å; Y20-F48 HydrophobicContact CE2-CD2 4.22Å; Y20-F48 HydrophobicContact CE2-CG 4.39Å; Y20-F48 HydrophobicContact CG-CD1 4.45Å; Y20-F48 HydrophobicContact CG-CE1 4.44Å
21K98.5Very high97.5Very high140 Ų14066.7 Ų66.761%0.60931%0.306SS*.Hα-helixtrans-60.5-43.4177-176.4178.5179.4179.80111.8M17 R18 L19 R25M17-K21 WeakPolarHBondContact O-CB 3.34Å; M17-K21 PolarHBondContact O-N 3.3Å; R18-K21 PolarHBondContact O-N 2.89Å; L19-K21 PolarHBondContact O-N 3.39Å; K21-R25 WeakPolarHBondContact O-CG 3.43Å; K21-R25 PolarHBondContact O-N 2.9Å; K21-R25 VanDerWaalsContact O-N 3.15Å
22K97.9Very high97.6Very high119 Ų11969.1 Ų69.152%0.51732%0.321SS..Hα-helixtrans-63.5-48.8177.4-75.7176.8177-175.50111.2R18 L19 Y20 L24 R25 H26 F71R18-K22 WeakPolarHBondContact O-CB 3.22Å; R18-K22 VanDerWaalsContact O-CG 3.3Å; R18-K22 WeakPolarHBondContact O-CG 3.48Å; R18-K22 PolarHBondContact O-N 3.49Å; L19-K22 WeakPolarHBondContact O-CB 3.47Å; L19-K22 PolarHBondContact O-N 2.85Å; L19-K22 VanDerWaalsContact O-N 3.1Å; Y20-K22 PolarHBondContact O-N 3.48Å; K22-L24 VanDerWaalsContact C-N 3.28Å; K22-L24 PolarHBondContact O-N 3.07Å; K22-R25 PolarHBondContact O-N 3.06Å; K22-H26 PolarHBondContact O-CD2 3.18Å; K22-H26 VanDerWaalsContact O-CD2 3.3Å; K22-H26 PolarHBondContact O-N 3.47Å; K22-F71 HydrophobicContact CB-CE2 3.94Å; K22-F71 HydrophobicContact CB-CZ 3.91Å; K22-F71 HydrophobicContact CD-CZ 4.48Å
23S98.2Very high97.7Very high19 Ų1973.9 Ų73.913%0.13334%0.341CS..Hα-helixtrans-56.9-42.8179.1-58.20000111.5L19 Y20 L27L19-S23 PolarHBondContact O-N 2.84Å; L19-S23 PolarHBondContact O-OG 3.3Å; Y20-S23 PolarHBondContact O-N 3.15Å; S23-L27 WeakPolarHBondContact O-CB 3.42Å; S23-L27 PolarHBondContact O-N 3.44Å
24L98.4Very high97.8Very high27 Ų2774.8 Ų74.814%0.14134%0.339CS..Hα-helixtrans-63.4-40.5174.4-76.9177.1000113.7Y20 K22 L27 E28 Y37 A41 L44Y20-L24 HydrophobicContact CD1-CD1 4.21Å; Y20-L24 HydrophobicContact CE1-CD1 3.57Å; Y20-L24 HydrophobicContact CE1-CG 4.49Å; Y20-L24 HydrophobicContact CE2-CD1 4.05Å; Y20-L24 HydrophobicContact CE2-CG 4.19Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.46Å; Y20-L24 PolarHBondContact O-N 3.19Å; K22-L24 VanDerWaalsContact C-N 3.28Å; K22-L24 PolarHBondContact O-N 3.07Å; L24-L27 PolarHBondContact O-N 3.2Å; L24-E28 WeakPolarHBondContact O-CB 3.47Å; L24-E28 PolarHBondContact O-N 2.8Å; L24-Y37 WeakPolarHBondContact O-CE2 3.41Å; L24-A41 HydrophobicContact CD2-CB 3.69Å; L24-L44 HydrophobicContact CD2-CD2 3.92Å; L24-L44 HydrophobicContact CG-CD2 4.17Å
25R98.2Very high97.8Very high97 Ų9777.4 Ų77.437%0.36636%0.355SS..Hα-helixtrans-70-37.1179.4-70-60.6-173.4-171.43.9112.7K21 K22 E28 S29K21-R25 WeakPolarHBondContact O-CG 3.43Å; K21-R25 PolarHBondContact O-N 2.9Å; K21-R25 VanDerWaalsContact O-N 3.15Å; K22-R25 PolarHBondContact O-N 3.06Å; R25-E28 IonicContact CZ-OE2 3.52Å; R25-E28 IonicContact NH1-OE2 3.18Å; R25-E28 PolarHBondContact NH1-OE2 3.28Å; R25-E28 PolarHBondContact O-N 3.29Å; R25-S29 PolarHBondContact O-N 3.46Å; R25-S29 VanDerWaalsContact O-N 3.09Å; R25-S29 PolarHBondContact O-OG 3.43Å
26H98.4Very high97.9Very high31 Ų3178 Ų7814%0.14436%0.357CS..Hα-helixtrans-72.5-35.2173.3-76.9-102.8000111.7K22 E28 S29 W30 F71 H76K22-H26 PolarHBondContact O-CD2 3.18Å; K22-H26 VanDerWaalsContact O-CD2 3.3Å; K22-H26 PolarHBondContact O-N 3.47Å; H26-E28 VanDerWaalsContact C-N 3.33Å; H26-E28 PolarHBondContact O-N 2.89Å; H26-S29 WeakPolarHBondContact O-CA 3.2Å; H26-S29 WeakPolarHBondContact O-CB 3.17Å; H26-S29 PolarHBondContact O-N 3.44Å; H26-S29 VanDerWaalsContact O-N 3.09Å; H26-W30 VanDerWaalsContact O-CD1 3.31Å; H26-W30 PolarHBondContact O-N 3.4Å; H26-F71 HydrophobicContact CB-CE2 4.03Å; H26-F71 AromaticContact CD2-CE2 3.56Å; H26-F71 AromaticContact CD2-CZ 3.51Å; H26-F71 AromaticContact CG-CE2 3.75Å; H26-F71 AromaticContact CG-CZ 3.97Å; H26-F71 AromaticContact NE2-CZ 3.61Å; H26-H76 PolarHBondContact ND1-N 3.31Å
27L98.1Very high97.9Very high34 Ų3477 Ų7718%0.17835%0.349CS..Hα-helixtrans-62.3-40.9171.7-177.266.7000111.8S23 L24 S29 W30 C31 Y37 A41 L44S23-L27 WeakPolarHBondContact O-CB 3.42Å; S23-L27 PolarHBondContact O-N 3.44Å; L24-L27 PolarHBondContact O-N 3.2Å; L27-S29 PolarHBondContact O-N 3.32Å; L27-W30 PolarHBondContact O-N 3.48Å; L27-C31 WeakPolarHBondContact O-CB 3.35Å; L27-C31 PolarHBondContact O-N 2.81Å; L27-Y37 HydrophobicContact CB-CE2 4.48Å; L27-Y37 HydrophobicContact CD2-CE2 4.41Å; L27-Y37 HydrophobicContact CG-CD2 4.27Å; L27-Y37 HydrophobicContact CG-CE2 4.39Å; L27-A41 HydrophobicContact CD2-CB 4.34Å; L27-L44 HydrophobicContact CD2-CD2 4.38Å
28E97.8Very high97.9Very high52 Ų5279.9 Ų79.924%0.24336%0.355CS..Hα-helixtrans-62.2-31.9172.3-170.6168.5-143.800112L24 R25 H26 C31 R34 Y37L24-E28 WeakPolarHBondContact O-CB 3.47Å; L24-E28 PolarHBondContact O-N 2.8Å; R25-E28 IonicContact CZ-OE2 3.52Å; R25-E28 IonicContact NH1-OE2 3.18Å; R25-E28 PolarHBondContact NH1-OE2 3.28Å; R25-E28 PolarHBondContact O-N 3.29Å; H26-E28 VanDerWaalsContact C-N 3.33Å; H26-E28 PolarHBondContact O-N 2.89Å; E28-C31 CarbonylContact O-C 3.6Å; E28-R34 IonicContact OE1-NH1 3.35Å; E28-R34 PolarHBondContact OE1-NH1 2.91Å; E28-Y37 VanDerWaalsContact CA-CD2 3.48Å; E28-Y37 HydrophobicContact CB-CD2 3.8Å; E28-Y37 HydrophobicContact CB-CE2 3.54Å; E28-Y37 HydrophobicContact CG-CD2 4.28Å; E28-Y37 HydrophobicContact CG-CE2 4.21Å
29S97.8Very high98Very high17 Ų1781.4 Ų81.412%0.11936%0.364CS..Hα-helixtrans-71.6-35.1175.7-52.20000112.4R25 H26 L27 Y80R25-S29 PolarHBondContact O-N 3.46Å; R25-S29 VanDerWaalsContact O-N 3.09Å; R25-S29 PolarHBondContact O-OG 3.43Å; H26-S29 WeakPolarHBondContact O-CA 3.2Å; H26-S29 WeakPolarHBondContact O-CB 3.17Å; H26-S29 PolarHBondContact O-N 3.44Å; H26-S29 VanDerWaalsContact O-N 3.09Å; L27-S29 PolarHBondContact O-N 3.32Å; S29-Y80 PolarHBondContact OG-N 3.25Å
30W98Very high98Very high138 Ų13885.5 Ų85.552%0.52338%0.38SS..Hα-helixtrans-77.9-42.2174.3-76.4118.1000113.1H26 L27 V32 N74 H76H26-W30 VanDerWaalsContact O-CD1 3.31Å; H26-W30 PolarHBondContact O-N 3.4Å; L27-W30 PolarHBondContact O-N 3.48Å; W30-V32 PolarHBondContact O-N 3.25Å; W30-N74 PolarHBondContact NE1-O 2.76Å; W30-H76 HydrophobicContact CD2-CB 4.37Å; W30-H76 AromaticContact CD2-CD2 3.45Å; W30-H76 VanDerWaalsContact CD2-CD2 3.45Å; W30-H76 AromaticContact CE2-CD2 3.66Å; W30-H76 AromaticContact CE3-CD2 3.56Å; W30-H76 HydrophobicContact CG-CB 4.46Å; W30-H76 AromaticContact CG-CD2 3.95Å; W30-H76 HydrophobicContact CZ2-CB 4.31Å; W30-H76 AromaticContact CZ2-CD2 3.98Å; W30-H76 AromaticContact CZ3-CD2 3.85Å
31C97.1Very high98Very high13 Ų1383.7 Ų83.79%0.08838%0.375CS..  trans-99.282.3-177.4-65.60000110.3L27 E28 F33L27-C31 WeakPolarHBondContact O-CB 3.35Å; L27-C31 PolarHBondContact O-N 2.81Å; E28-C31 CarbonylContact O-C 3.6Å; C31-F33 VanDerWaalsContact C-N 3.31Å; C31-F33 PolarHBondContact O-N 3.03Å
32V95.6Very high98Very high122 Ų12280.2 Ų80.274%0.73937%0.367SS*.  trans-59.9-39.9-175.7-175.60000112.5W30W30-V32 PolarHBondContact O-N 3.25Å
33F97.8Very high98Very high151 Ų15178.1 Ų78.166%0.66236%0.361SS*.SBendtrans-78.8135-179.2-58.4-73.2000112C31 D35 K36 Y37C31-F33 VanDerWaalsContact C-N 3.31Å; C31-F33 PolarHBondContact O-N 3.03Å; F33-D35 VanDerWaalsContact CB-OD1 3.23Å; F33-D35 WeakPolarHBondContact CB-OD1 3.31Å; F33-D35 PolarHBondContact O-N 3.47Å; F33-K36 HydrophobicContact CB-CB 4.48Å; F33-K36 PolarHBondContact O-N 2.92Å; F33-Y37 WeakPolarHBondContact O-CB 3.5Å; F33-Y37 PolarHBondContact O-N 2.97Å
34R97.8Very high98Very high151 Ų15178.3 Ų78.357%0.5736%0.36SS*.Hα-helixtrans-67.8-36.4-167.5-172.258.5174.4172.5-1.7113.8E28 R38E28-R34 IonicContact OE1-NH1 3.35Å; E28-R34 PolarHBondContact OE1-NH1 2.91Å; R34-R38 VanDerWaalsContact O-CB 3.27Å; R34-R38 WeakPolarHBondContact O-CB 3.3Å; R34-R38 PolarHBondContact O-N 3.41Å
35D97.6Very high98Very high121 Ų12182.3 Ų82.365%0.64737%0.374SS*.Hα-helixtrans-62.8-51.5174.860.1-32.7000111.4F33 R38 F39F33-D35 VanDerWaalsContact CB-OD1 3.23Å; F33-D35 WeakPolarHBondContact CB-OD1 3.31Å; F33-D35 PolarHBondContact O-N 3.47Å; D35-R38 PolarHBondContact O-N 3.43Å; D35-F39 PolarHBondContact O-N 2.8Å; D35-F39 VanDerWaalsContact O-N 3.09Å
36K97.8Very high98Very high106 Ų10679.9 Ų79.946%0.46137%0.374SS..Hα-helixtrans-62.4-46.4177.2-172.4175.4-1781790111F33 R38 F39 Y40F33-K36 HydrophobicContact CB-CB 4.48Å; F33-K36 PolarHBondContact O-N 2.92Å; K36-R38 VanDerWaalsContact C-N 3.31Å; K36-R38 PolarHBondContact O-N 2.75Å; K36-F39 PolarHBondContact O-N 3.34Å; K36-Y40 HydrophobicContact CD-CE2 4.21Å; K36-Y40 HydrophobicContact CG-CD2 3.88Å; K36-Y40 HydrophobicContact CG-CE2 3.58Å; K36-Y40 WeakPolarHBondContact O-CD2 3.33Å; K36-Y40 PolarHBondContact O-N 3.28Å
37Y98.4Very high98Very high23 Ų2383.6 Ų83.69%0.0939%0.387CS..Hα-helixtrans-55.3-47.8174166.5-101.6000111.6L24 L27 E28 F33 F39 Y40 A41L24-Y37 WeakPolarHBondContact O-CE2 3.41Å; L27-Y37 HydrophobicContact CB-CE2 4.48Å; L27-Y37 HydrophobicContact CD2-CE2 4.41Å; L27-Y37 HydrophobicContact CG-CD2 4.27Å; L27-Y37 HydrophobicContact CG-CE2 4.39Å; E28-Y37 VanDerWaalsContact CA-CD2 3.48Å; E28-Y37 HydrophobicContact CB-CD2 3.8Å; E28-Y37 HydrophobicContact CB-CE2 3.54Å; E28-Y37 HydrophobicContact CG-CD2 4.28Å; E28-Y37 HydrophobicContact CG-CE2 4.21Å; F33-Y37 WeakPolarHBondContact O-CB 3.5Å; F33-Y37 PolarHBondContact O-N 2.97Å; Y37-F39 VanDerWaalsContact C-N 3.3Å; Y37-F39 PolarHBondContact O-N 2.85Å; Y37-Y40 PolarHBondContact O-N 3.49Å; Y37-A41 HydrophobicContact CE1-CB 4.17Å; Y37-A41 HydrophobicContact CE2-CB 4.15Å; Y37-A41 WeakPolarHBondContact O-CB 3.47Å; Y37-A41 PolarHBondContact O-N 3.3Å
38R98.5Very high98Very high159 Ų15984.4 Ų84.460%0.639%0.389SS*.Hα-helixtrans-60.8-42.3-176.6-178.458.4175.5-160.5-0.3111.4R34 D35 K36 A41 C42R34-R38 VanDerWaalsContact O-CB 3.27Å; R34-R38 WeakPolarHBondContact O-CB 3.3Å; R34-R38 PolarHBondContact O-N 3.41Å; D35-R38 PolarHBondContact O-N 3.43Å; K36-R38 VanDerWaalsContact C-N 3.31Å; K36-R38 PolarHBondContact O-N 2.75Å; R38-A41 PolarHBondContact O-N 2.73Å; R38-C42 PolarHBondContact O-N 3.18Å; R38-C42 PolarHBondContact O-SG 2.92Å
39F98.4Very high98Very high128 Ų12884.6 Ų84.656%0.56139%0.392SS*.Hα-helixtrans-57.7-55.3175.5176.6-101.8000111.8D35 K36 Y37 A41 C42 I43D35-F39 PolarHBondContact O-N 2.8Å; D35-F39 VanDerWaalsContact O-N 3.09Å; K36-F39 PolarHBondContact O-N 3.34Å; Y37-F39 VanDerWaalsContact C-N 3.3Å; Y37-F39 PolarHBondContact O-N 2.85Å; F39-A41 VanDerWaalsContact C-N 3.33Å; F39-A41 PolarHBondContact O-N 3.09Å; F39-C42 WeakPolarHBondContact O-CB 3.45Å; F39-C42 PolarHBondContact O-N 3.09Å; F39-I43 HydrophobicContact CD1-CD1 3.94Å; F39-I43 HydrophobicContact CE1-CD1 3.37Å; F39-I43 HydrophobicContact CE2-CD1 4.3Å; F39-I43 HydrophobicContact CZ-CD1 3.59Å; F39-I43 PolarHBondContact O-N 3.5Å; F39-I43 VanDerWaalsContact O-N 3.14Å
40Y98.4Very high97.9Very high98 Ų9890.8 Ų90.838%0.38442%0.419SS..Hα-helixtrans-67.9-31.1-179.6-70-68.6000113.3K36 Y37 C42 I43 L44K36-Y40 HydrophobicContact CD-CE2 4.21Å; K36-Y40 HydrophobicContact CG-CD2 3.88Å; K36-Y40 HydrophobicContact CG-CE2 3.58Å; K36-Y40 WeakPolarHBondContact O-CD2 3.33Å; K36-Y40 PolarHBondContact O-N 3.28Å; Y37-Y40 PolarHBondContact O-N 3.49Å; Y40-C42 VanDerWaalsContact C-N 3.31Å; Y40-C42 PolarHBondContact O-N 2.96Å; Y40-I43 HydrophobicContact CD1-CD1 4.23Å; Y40-I43 PolarHBondContact O-N 2.86Å; Y40-L44 WeakPolarHBondContact O-CB 3.32Å; Y40-L44 PolarHBondContact O-N 3.32Å
41A98.4Very high97.7Very high11 Ų1188 Ų889%0.09141%0.414CS..Hα-helixtrans-64.3-37.617500000111.6L24 L27 Y37 R38 F39 L44 R45L24-A41 HydrophobicContact CD2-CB 3.69Å; L27-A41 HydrophobicContact CD2-CB 4.34Å; Y37-A41 HydrophobicContact CE1-CB 4.17Å; Y37-A41 HydrophobicContact CE2-CB 4.15Å; Y37-A41 WeakPolarHBondContact O-CB 3.47Å; Y37-A41 PolarHBondContact O-N 3.3Å; R38-A41 PolarHBondContact O-N 2.73Å; F39-A41 VanDerWaalsContact C-N 3.33Å; F39-A41 PolarHBondContact O-N 3.09Å; A41-L44 PolarHBondContact O-N 2.92Å; A41-R45 WeakPolarHBondContact O-CB 3.48Å; A41-R45 PolarHBondContact O-N 3.17Å
42C98.5Very high97.6Very high67 Ų6794 Ų9445%0.45344%0.439SS..Hα-helixtrans-66.6-41.6173-75.20000111.9R38 F39 Y40 R45 A46R38-C42 PolarHBondContact O-N 3.18Å; R38-C42 PolarHBondContact O-SG 2.92Å; F39-C42 WeakPolarHBondContact O-CB 3.45Å; F39-C42 PolarHBondContact O-N 3.09Å; Y40-C42 VanDerWaalsContact C-N 3.31Å; Y40-C42 PolarHBondContact O-N 2.96Å; C42-R45 WeakPolarHBondContact O-CB 3.29Å; C42-R45 PolarHBondContact O-N 3.15Å; C42-A46 PolarHBondContact O-N 3.06Å
43I98.4Very high97.6Very high75 Ų7594.4 Ų94.439%0.38544%0.437SS..Hα-helixtrans-61-47.3173.7-66.5174.2000110.6F39 Y40 R45 A46 R47F39-I43 HydrophobicContact CD1-CD1 3.94Å; F39-I43 HydrophobicContact CE1-CD1 3.37Å; F39-I43 HydrophobicContact CE2-CD1 4.3Å; F39-I43 HydrophobicContact CZ-CD1 3.59Å; F39-I43 PolarHBondContact O-N 3.5Å; F39-I43 VanDerWaalsContact O-N 3.14Å; Y40-I43 HydrophobicContact CD1-CD1 4.23Å; Y40-I43 PolarHBondContact O-N 2.86Å; I43-R45 VanDerWaalsContact C-N 3.29Å; I43-R45 PolarHBondContact O-N 3.24Å; I43-A46 WeakPolarHBondContact O-CB 3.5Å; I43-A46 PolarHBondContact O-N 2.95Å; I43-R47 WeakPolarHBondContact O-CG 3.46Å; I43-R47 PolarHBondContact O-N 3.3Å
44L98.2Very high97.5Very high23 Ų2390 Ų9012%0.1242%0.418CS..Hα-helixtrans-60.2-42.5177.2-175.266.6000110.8L24 L27 Y40 A41 A46 R47 F48L24-L44 HydrophobicContact CD2-CD2 3.92Å; L24-L44 HydrophobicContact CG-CD2 4.17Å; L27-L44 HydrophobicContact CD2-CD2 4.38Å; Y40-L44 WeakPolarHBondContact O-CB 3.32Å; Y40-L44 PolarHBondContact O-N 3.32Å; A41-L44 PolarHBondContact O-N 2.92Å; L44-A46 VanDerWaalsContact C-N 3.35Å; L44-A46 PolarHBondContact O-N 3.03Å; L44-R47 PolarHBondContact O-N 3.49Å; L44-F48 HydrophobicContact CD1-CD2 4.21Å; L44-F48 HydrophobicContact CD1-CE2 3.87Å; L44-F48 HydrophobicContact CG-CD2 4.24Å; L44-F48 HydrophobicContact CG-CE2 4.13Å; L44-F48 WeakPolarHBondContact O-CD2 3.45Å; L44-F48 PolarHBondContact O-N 3.45Å
45R98.6Very high97.4Very high112 Ų11292.1 Ų92.142%0.42343%0.432SS..Hα-helixtrans-59.2-45.3175.517966.2-163.4-166.75.8111.7Y20 A41 C42 I43 R47 F48 D49Y20-R45 WeakPolarHBondContact OH-CD 3.4Å; A41-R45 WeakPolarHBondContact O-CB 3.48Å; A41-R45 PolarHBondContact O-N 3.17Å; C42-R45 WeakPolarHBondContact O-CB 3.29Å; C42-R45 PolarHBondContact O-N 3.15Å; I43-R45 VanDerWaalsContact C-N 3.29Å; I43-R45 PolarHBondContact O-N 3.24Å; R45-R47 VanDerWaalsContact C-N 3.35Å; R45-R47 PolarHBondContact O-N 3.01Å; R45-F48 PolarHBondContact O-N 3.1Å; R45-D49 WeakPolarHBondContact CG-OD2 3.41Å; R45-D49 IonicContact CZ-OD1 3.7Å; R45-D49 VanDerWaalsContact CZ-OD1 3.28Å; R45-D49 IonicContact CZ-OD2 3.88Å; R45-D49 VanDerWaalsContact NE-CG 3.32Å; R45-D49 IonicContact NE-OD1 2.84Å; R45-D49 PolarHBondContact NE-OD1 3.35Å; R45-D49 VanDerWaalsContact NE-OD1 3.15Å; R45-D49 IonicContact NE-OD2 2.95Å; R45-D49 PolarHBondContact NE-OD2 3.25Å; R45-D49 IonicContact NH2-OD1 3.92Å; R45-D49 PolarHBondContact NH2-OD1 2.87Å; R45-D49 IonicContact NH2-OD2 3.85Å; R45-D49 PolarHBondContact O-N 3.48Å
46A98.4Very high97.4Very high46 Ų4690.1 Ų90.138%0.3842%0.421SS..Hα-helixtrans-58-45.5177.600000111.7C42 I43 L44 F48 D49 E50C42-A46 PolarHBondContact O-N 3.06Å; I43-A46 WeakPolarHBondContact O-CB 3.5Å; I43-A46 PolarHBondContact O-N 2.95Å; L44-A46 VanDerWaalsContact C-N 3.35Å; L44-A46 PolarHBondContact O-N 3.03Å; A46-F48 VanDerWaalsContact C-N 3.3Å; A46-F48 PolarHBondContact O-N 2.99Å; A46-D49 PolarHBondContact O-N 3.04Å; A46-E50 WeakPolarHBondContact O-CG 3.49Å; A46-E50 PolarHBondContact O-N 3.38Å
47R97.6Very high97.3Very high108 Ų10890 Ų9041%0.40842%0.424SS..Hα-helixtrans-56.9-40.2175.8-67.6175.363.5-165.8-4.3113.2I43 L44 R45 N51 E70I43-R47 WeakPolarHBondContact O-CG 3.46Å; I43-R47 PolarHBondContact O-N 3.3Å; L44-R47 PolarHBondContact O-N 3.49Å; R45-R47 VanDerWaalsContact C-N 3.35Å; R45-R47 PolarHBondContact O-N 3.01Å; R47-N51 PolarHBondContact O-ND2 3.38Å; R47-E70 IonicContact CZ-OE1 2.82Å; R47-E70 IonicContact CZ-OE2 3.28Å; R47-E70 IonicContact NH1-OE1 3.69Å; R47-E70 PolarHBondContact NH1-OE1 2.82Å; R47-E70 VanDerWaalsContact NH2-CD 3.25Å; R47-E70 IonicContact NH2-OE1 3.89Å; R47-E70 PolarHBondContact NH2-OE1 3.38Å; R47-E70 IonicContact NH2-OE2 2.66Å; R47-E70 PolarHBondContact NH2-OE2 3.44Å
48F97.9Very high97.2Very high51 Ų5194 Ų9422%0.22445%0.45CS..Hα-helixtrans-71.7-38.9175.3-86-99.6000111.8V16 L19 Y20 L44 R45 A46 N51 K52V16-F48 HydrophobicContact CG1-CD1 4.2Å; V16-F48 HydrophobicContact CG1-CE1 4.14Å; L19-F48 HydrophobicContact CD2-CZ 4.4Å; L19-F48 HydrophobicContact CG-CZ 4.31Å; Y20-F48 HydrophobicContact CD2-CB 4.43Å; Y20-F48 HydrophobicContact CD2-CD1 4.04Å; Y20-F48 AromaticContact CD2-CD2 3.69Å; Y20-F48 HydrophobicContact CD2-CD2 3.69Å; Y20-F48 HydrophobicContact CD2-CE1 4.18Å; Y20-F48 AromaticContact CD2-CE2 3.83Å; Y20-F48 HydrophobicContact CD2-CE2 3.83Å; Y20-F48 AromaticContact CD2-CG 3.79Å; Y20-F48 HydrophobicContact CD2-CG 3.79Å; Y20-F48 HydrophobicContact CD2-CZ 4.07Å; Y20-F48 HydrophobicContact CE2-CD2 4.22Å; Y20-F48 HydrophobicContact CE2-CG 4.39Å; Y20-F48 HydrophobicContact CG-CD1 4.45Å; Y20-F48 HydrophobicContact CG-CE1 4.44Å; L44-F48 HydrophobicContact CD1-CD2 4.21Å; L44-F48 HydrophobicContact CD1-CE2 3.87Å; L44-F48 HydrophobicContact CG-CD2 4.24Å; L44-F48 HydrophobicContact CG-CE2 4.13Å; L44-F48 WeakPolarHBondContact O-CD2 3.45Å; L44-F48 PolarHBondContact O-N 3.45Å; R45-F48 PolarHBondContact O-N 3.1Å; A46-F48 VanDerWaalsContact C-N 3.3Å; A46-F48 PolarHBondContact O-N 2.99Å; F48-N51 PolarHBondContact O-N 2.83Å; F48-K52 PolarHBondContact O-N 3.45Å
49D98Very high97.2Very high56 Ų5691.2 Ų91.230%0.29944%0.442SS..Hα-helixtrans-70.2-30-179.2-76.9-31.8000112.8R45 A46 N51 K52R45-D49 WeakPolarHBondContact CG-OD2 3.41Å; R45-D49 IonicContact CZ-OD1 3.7Å; R45-D49 VanDerWaalsContact CZ-OD1 3.28Å; R45-D49 IonicContact CZ-OD2 3.88Å; R45-D49 VanDerWaalsContact NE-CG 3.32Å; R45-D49 IonicContact NE-OD1 2.84Å; R45-D49 PolarHBondContact NE-OD1 3.35Å; R45-D49 VanDerWaalsContact NE-OD1 3.15Å; R45-D49 IonicContact NE-OD2 2.95Å; R45-D49 PolarHBondContact NE-OD2 3.25Å; R45-D49 IonicContact NH2-OD1 3.92Å; R45-D49 PolarHBondContact NH2-OD1 2.87Å; R45-D49 IonicContact NH2-OD2 3.85Å; R45-D49 PolarHBondContact O-N 3.48Å; A46-D49 PolarHBondContact O-N 3.04Å; D49-N51 PolarHBondContact O-N 3.48Å; D49-K52 WeakPolarHBondContact O-CB 3.45Å; D49-K52 WeakPolarHBondContact O-CD 3.41Å; D49-K52 WeakPolarHBondContact O-CG 3.36Å; D49-K52 PolarHBondContact O-N 2.95Å
50E97.1Very high97.1Very high147 Ų14785.6 Ų85.669%0.68742%0.42SS*.Hα-helixtrans-54.9-37.8174.4-79.2167.9-164.100112.5A46A46-E50 WeakPolarHBondContact O-CG 3.49Å; A46-E50 PolarHBondContact O-N 3.38Å
51N94.1Very high97.1Very high79 Ų7984.4 Ų84.442%0.42242%0.422SS..THydrogen-bonded Turntrans-105.110.2-174.6-63.4-79.6000113.2R47 F48 D49 N53 E54 M63R47-N51 PolarHBondContact O-ND2 3.38Å; F48-N51 PolarHBondContact O-N 2.83Å; D49-N51 PolarHBondContact O-N 3.48Å; N51-N53 PolarHBondContact O-N 2.88Å; N51-E54 PolarHBondContact O-N 2.91Å; N51-M63 HydrophobicContact CB-CE 4.31Å; N51-M63 HydrophobicContact CB-SD 4.22Å
52K93.9Very high97Very high141 Ų14189.3 Ų89.361%0.61345%0.445SS*.THydrogen-bonded Turntrans-64.9-26.6-174.478.2-173.2179.4-179.90114.2F48 D49F48-K52 PolarHBondContact O-N 3.45Å; D49-K52 WeakPolarHBondContact O-CB 3.45Å; D49-K52 WeakPolarHBondContact O-CD 3.41Å; D49-K52 WeakPolarHBondContact O-CG 3.36Å; D49-K52 PolarHBondContact O-N 2.95Å
53N95.8Very high97Very high130 Ų13089.1 Ų89.170%0.69544%0.438SS*.THydrogen-bonded Turntrans-10012.5-174.7-67-32.2000112.7N51 K55N51-N53 PolarHBondContact O-N 2.88Å; N53-K55 PolarHBondContact O-N 3.16Å
54E95.4Very high96.9Very high58 Ų5886.3 Ų86.327%0.27142%0.424SS..  trans-63.6128.4175.5-178.356.9-10100110.4N51 D56 K59 A60 M63N51-E54 PolarHBondContact O-N 2.91Å; E54-D56 PolarHBondContact OE1-N 2.9Å; E54-K59 VanDerWaalsContact OE2-CD 3.31Å; E54-K59 WeakPolarHBondContact OE2-CD 3Å; E54-K59 VanDerWaalsContact OE2-CE 3.3Å; E54-K59 WeakPolarHBondContact OE2-CE 3.41Å; E54-K59 IonicContact OE2-NZ 2.89Å; E54-K59 PolarHBondContact OE2-NZ 3.39Å; E54-A60 HydrophobicContact CG-CB 4.33Å; E54-M63 HydrophobicContact CB-CE 3.92Å; E54-M63 HydrophobicContact CG-CE 3.65Å
55K95.9Very high96.9Very high195 Ų19590.6 Ų90.685%0.84844%0.441SS*.  trans-101-23.7-177.8-65.7-177-179.9178.40112.2N53 M57N53-K55 PolarHBondContact O-N 3.16Å; K55-M57 PolarHBondContact O-N 3.25Å
56D97.3Very high96.9Very high79 Ų7987.7 Ų87.742%0.42244%0.442SS..  trans-76.3109.4175.6179.5-1.7000110.4E54 V58 K59 A60E54-D56 PolarHBondContact OE1-N 2.9Å; D56-V58 VanDerWaalsContact C-N 3.31Å; D56-V58 PolarHBondContact O-N 3.45Å; D56-V58 WeakPolarHBondContact OD1-CB 3.49Å; D56-V58 PolarHBondContact OD1-N 3.34Å; D56-K59 HydrophobicContact CB-CB 3.95Å; D56-K59 PolarHBondContact O-N 3.36Å; D56-K59 PolarHBondContact OD1-N 2.91Å; D56-A60 WeakPolarHBondContact O-CB 3.41Å; D56-A60 PolarHBondContact O-N 2.97Å
57M96.1Very high96.9Very high105 Ų10586.4 Ų86.452%0.51743%0.433SS..Hα-helixtrans-68.2-26.6-179.4-68.6-55.2-55.300113.7H12 K55 T61H12-M57 HydrophobicContact CB-CE 3.92Å; K55-M57 PolarHBondContact O-N 3.25Å; M57-T61 WeakPolarHBondContact O-CB 3.3Å; M57-T61 PolarHBondContact O-N 3.08Å; M57-T61 PolarHBondContact O-OG1 3.28Å
58V97.1Very high96.9Very high106 Ų10685.8 Ų85.864%0.64244%0.435SS*.Hα-helixtrans-68.7-50.8175.1179.20000108.5D56 A60 T61 M62D56-V58 VanDerWaalsContact C-N 3.31Å; D56-V58 PolarHBondContact O-N 3.45Å; D56-V58 WeakPolarHBondContact OD1-CB 3.49Å; D56-V58 PolarHBondContact OD1-N 3.34Å; V58-A60 PolarHBondContact O-N 3.32Å; V58-T61 PolarHBondContact O-N 3.42Å; V58-T61 VanDerWaalsContact O-N 3.15Å; V58-M62 WeakPolarHBondContact O-CG 3.47Å; V58-M62 PolarHBondContact O-N 3.02Å
59K97.3Very high96.9Very high100 Ų10088.5 Ų88.544%0.43545%0.448SS..Hα-helixtrans-60.1-44.5175.8-170.6177.5166.5-155.10111.8E54 D56 T61 M62 M63E54-K59 VanDerWaalsContact OE2-CD 3.31Å; E54-K59 WeakPolarHBondContact OE2-CD 3Å; E54-K59 VanDerWaalsContact OE2-CE 3.3Å; E54-K59 WeakPolarHBondContact OE2-CE 3.41Å; E54-K59 IonicContact OE2-NZ 2.89Å; E54-K59 PolarHBondContact OE2-NZ 3.39Å; D56-K59 HydrophobicContact CB-CB 3.95Å; D56-K59 PolarHBondContact O-N 3.36Å; D56-K59 PolarHBondContact OD1-N 2.91Å; K59-T61 VanDerWaalsContact C-N 3.27Å; K59-T61 PolarHBondContact O-N 2.95Å; K59-M62 PolarHBondContact O-N 3Å; K59-M63 HydrophobicContact CG-CE 4.16Å; K59-M63 WeakPolarHBondContact O-CG 3.37Å; K59-M63 PolarHBondContact O-N 3.15Å
60A97Very high96.9Very high11 Ų1189.8 Ų89.89%0.09145%0.452CS..Hα-helixtrans-61.4-33.8176.500000113H12 E54 D56 V58 M63 L64H12-A60 VanDerWaalsContact NE2-C 3.33Å; H12-A60 PolarHBondContact NE2-O 3.42Å; E54-A60 HydrophobicContact CG-CB 4.33Å; D56-A60 WeakPolarHBondContact O-CB 3.41Å; D56-A60 PolarHBondContact O-N 2.97Å; V58-A60 PolarHBondContact O-N 3.32Å; A60-M63 HydrophobicContact CB-CE 4.47Å; A60-L64 WeakPolarHBondContact O-CB 3.21Å; A60-L64 PolarHBondContact O-N 3.45Å; A60-L64 VanDerWaalsContact O-N 3.08Å
61T97.3Very high97Very high72 Ų7284.3 Ų84.344%0.44243%0.426SS..Hα-helixtrans-73.7-39.9176-58.90000111.4M57 V58 K59 L64 K65M57-T61 WeakPolarHBondContact O-CB 3.3Å; M57-T61 PolarHBondContact O-N 3.08Å; M57-T61 PolarHBondContact O-OG1 3.28Å; V58-T61 PolarHBondContact O-N 3.42Å; V58-T61 VanDerWaalsContact O-N 3.15Å; K59-T61 VanDerWaalsContact C-N 3.27Å; K59-T61 PolarHBondContact O-N 2.95Å; T61-L64 PolarHBondContact O-N 2.87Å; T61-K65 PolarHBondContact O-N 3.2Å
62M97.6Very high97.2Very high115 Ų11589 Ų8957%0.56744%0.438SS*.Hα-helixtrans-64.4-41.2174.6-69.9-59.9-66.500112V58 K59 K65 A66V58-M62 WeakPolarHBondContact O-CG 3.47Å; V58-M62 PolarHBondContact O-N 3.02Å; K59-M62 PolarHBondContact O-N 3Å; M62-K65 PolarHBondContact O-N 3.32Å; M62-A66 PolarHBondContact O-N 2.94Å
63M97.3Very high97.4Very high62 Ų6287.6 Ų87.631%0.30544%0.442SS..Hα-helixtrans-63.2-41.1174.1-71.3-171.1-67.200112.1N51 E54 K59 A60 K65 A66 G67N51-M63 HydrophobicContact CB-CE 4.31Å; N51-M63 HydrophobicContact CB-SD 4.22Å; E54-M63 HydrophobicContact CB-CE 3.92Å; E54-M63 HydrophobicContact CG-CE 3.65Å; K59-M63 HydrophobicContact CG-CE 4.16Å; K59-M63 WeakPolarHBondContact O-CG 3.37Å; K59-M63 PolarHBondContact O-N 3.15Å; A60-M63 HydrophobicContact CB-CE 4.47Å; M63-K65 VanDerWaalsContact C-N 3.35Å; M63-A66 PolarHBondContact O-N 2.85Å; M63-G67 PolarHBondContact O-N 3.41Å
64L97.8Very high97.4Very high16 Ų1686 Ų868%0.08443%0.433CS..Hα-helixtrans-60.6-45.5174.4175.863.2000111.2K15 V16 L19 A60 T61 G67 E68K15-L64 HydrophobicContact CB-CD2 3.7Å; K15-L64 HydrophobicContact CD-CD2 4.16Å; V16-L64 HydrophobicContact CG2-CD1 4.03Å; V16-L64 HydrophobicContact CG2-CD2 4.43Å; L19-L64 HydrophobicContact CB-CD1 4.35Å; L19-L64 HydrophobicContact CD2-CD1 3.75Å; A60-L64 WeakPolarHBondContact O-CB 3.21Å; A60-L64 PolarHBondContact O-N 3.45Å; A60-L64 VanDerWaalsContact O-N 3.08Å; T61-L64 PolarHBondContact O-N 2.87Å; L64-G67 PolarHBondContact O-N 3.36Å; L64-E68 HydrophobicContact CD1-CG 4.33Å; L64-E68 WeakPolarHBondContact O-CG 3.41Å; L64-E68 PolarHBondContact O-N 2.96Å
65K98.1Very high97.5Very high113 Ų11386.1 Ų86.149%0.49143%0.433SS..Hα-helixtrans-59.7-48.8177.2-177.3-177.1173.5-172.20111.5T61 M62 M63 G67 E68 E69T61-K65 PolarHBondContact O-N 3.2Å; M62-K65 PolarHBondContact O-N 3.32Å; M63-K65 VanDerWaalsContact C-N 3.35Å; K65-G67 VanDerWaalsContact C-N 3.3Å; K65-G67 PolarHBondContact O-N 3.37Å; K65-E68 PolarHBondContact O-N 2.81Å; K65-E68 VanDerWaalsContact O-N 3.16Å; K65-E69 WeakPolarHBondContact CE-OE1 3.46Å; K65-E69 WeakPolarHBondContact O-CG 3.42Å; K65-E69 PolarHBondContact O-N 3.25Å
66A98.1Very high97.6Very high52 Ų5278.9 Ų78.943%0.4340%0.402SS..Hα-helixtrans-60.2-40176.800000112M62 M63 E69 E70M62-A66 PolarHBondContact O-N 2.94Å; M63-A66 PolarHBondContact O-N 2.85Å; A66-E69 PolarHBondContact O-N 2.87Å; A66-E70 WeakPolarHBondContact O-CB 3.11Å; A66-E70 PolarHBondContact O-N 3.34Å
67G97.8Very high97.7Very high19 Ų1980.7 Ų80.720%0.19642%0.418CS..Hα-helixtrans-66.8-34.717500000113.7M63 L64 K65 F71M63-G67 PolarHBondContact O-N 3.41Å; L64-G67 PolarHBondContact O-N 3.36Å; K65-G67 VanDerWaalsContact C-N 3.3Å; K65-G67 PolarHBondContact O-N 3.37Å; G67-F71 VanDerWaalsContact O-CB 3.29Å; G67-F71 WeakPolarHBondContact O-CB 3.29Å; G67-F71 PolarHBondContact O-N 3.07Å
68E98.3Very high97.7Very high95 Ų9583.4 Ų83.444%0.44443%0.43SS..Hα-helixtrans-68-39173.2-74.2-176.7156.100111.8L19 L64 K65 F71 W72L19-E68 HydrophobicContact CD1-CG 4.16Å; L19-E68 HydrophobicContact CD2-CG 4.11Å; L64-E68 HydrophobicContact CD1-CG 4.33Å; L64-E68 WeakPolarHBondContact O-CG 3.41Å; L64-E68 PolarHBondContact O-N 2.96Å; K65-E68 PolarHBondContact O-N 2.81Å; K65-E68 VanDerWaalsContact O-N 3.16Å; E68-F71 PolarHBondContact O-N 3.23Å; E68-W72 WeakPolarHBondContact O-CB 3.49Å; E68-W72 PolarHBondContact O-N 2.99Å
69E98.4Very high97.7Very high108 Ų10880.1 Ų80.151%0.50541%0.411SS..Hα-helixtrans-66.1-45.8174.4-71.2171.5-174.300111.6K65 A66 F71 W72 T73K65-E69 WeakPolarHBondContact CE-OE1 3.46Å; K65-E69 WeakPolarHBondContact O-CG 3.42Å; K65-E69 PolarHBondContact O-N 3.25Å; A66-E69 PolarHBondContact O-N 2.87Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 2.91Å; E69-W72 PolarHBondContact O-N 3.21Å; E69-T73 PolarHBondContact O-N 2.89Å; E69-T73 PolarHBondContact O-OG1 3.11Å
70E98.2Very high97.8Very high82 Ų8281.5 Ų81.538%0.38341%0.414SS..Hα-helixtrans-59.4-44.9174.1-176.4-172.615800111R47 A66 N74R47-E70 IonicContact CZ-OE1 2.82Å; R47-E70 IonicContact CZ-OE2 3.28Å; R47-E70 IonicContact NH1-OE1 3.69Å; R47-E70 PolarHBondContact NH1-OE1 2.82Å; R47-E70 VanDerWaalsContact NH2-CD 3.25Å; R47-E70 IonicContact NH2-OE1 3.89Å; R47-E70 PolarHBondContact NH2-OE1 3.38Å; R47-E70 IonicContact NH2-OE2 2.66Å; R47-E70 PolarHBondContact NH2-OE2 3.44Å; A66-E70 WeakPolarHBondContact O-CB 3.11Å; A66-E70 PolarHBondContact O-N 3.34Å; E70-N74 WeakPolarHBondContact O-CB 3.47Å; E70-N74 PolarHBondContact O-N 3.46Å; E70-N74 PolarHBondContact O-ND2 3.04Å
71F98.3Very high97.8Very high32 Ų3284.4 Ų84.414%0.1443%0.428CS..Hα-helixtrans-60.9-45.1176169.8-95.7000111.5L19 K22 H26 G67 E68 E69 T73 N74 Q75L19-F71 HydrophobicContact CD1-CB 3.78Å; L19-F71 HydrophobicContact CD1-CD1 4.41Å; L19-F71 HydrophobicContact CD1-CG 3.98Å; K22-F71 HydrophobicContact CB-CE2 3.94Å; K22-F71 HydrophobicContact CB-CZ 3.91Å; K22-F71 HydrophobicContact CD-CZ 4.48Å; H26-F71 HydrophobicContact CB-CE2 4.03Å; H26-F71 AromaticContact CD2-CE2 3.56Å; H26-F71 AromaticContact CD2-CZ 3.51Å; H26-F71 AromaticContact CG-CE2 3.75Å; H26-F71 AromaticContact CG-CZ 3.97Å; H26-F71 AromaticContact NE2-CZ 3.61Å; G67-F71 VanDerWaalsContact O-CB 3.29Å; G67-F71 WeakPolarHBondContact O-CB 3.29Å; G67-F71 PolarHBondContact O-N 3.07Å; E68-F71 PolarHBondContact O-N 3.23Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 2.91Å; F71-T73 PolarHBondContact O-N 3.26Å; F71-N74 CarbonylContact O-C 3.31Å; F71-N74 PolarHBondContact O-N 2.97Å; F71-Q75 HydrophobicContact CE1-CB 4.43Å; F71-Q75 HydrophobicContact CE2-CB 4.5Å; F71-Q75 HydrophobicContact CZ-CB 4.21Å; F71-Q75 WeakPolarHBondContact O-CB 3.43Å; F71-Q75 PolarHBondContact O-N 3.25Å
72W98.1Very high97.8Very high177 Ų17785 Ų8567%0.6742%0.424SS*.Hα-helixtrans-61.1-43.2-178.5-178.2-100.6000112.6E68 E69 N74 Q75E68-W72 WeakPolarHBondContact O-CB 3.49Å; E68-W72 PolarHBondContact O-N 2.99Å; E69-W72 PolarHBondContact O-N 3.21Å; W72-N74 VanDerWaalsContact C-N 3.33Å; W72-N74 PolarHBondContact O-N 3.03Å; W72-Q75 WeakPolarHBondContact O-CG 3.34Å; W72-Q75 PolarHBondContact O-NE2 3.12Å
73T98Very high97.9Very high113 Ų11382.1 Ų82.169%0.69341%0.414SS*.Hα-helixtrans-67.5-33.3178.1-60.50000112.5E69 F71E69-T73 PolarHBondContact O-N 2.89Å; E69-T73 PolarHBondContact O-OG1 3.11Å; F71-T73 PolarHBondContact O-N 3.26Å
74N97Very high97.9Very high96 Ų9683.2 Ų83.251%0.51342%0.421SS..Hα-helixtrans-104.55-172.9-64.2-64.4000114.6W30 E70 F71 W72 H76W30-N74 PolarHBondContact NE1-O 2.76Å; E70-N74 WeakPolarHBondContact O-CB 3.47Å; E70-N74 PolarHBondContact O-N 3.46Å; E70-N74 PolarHBondContact O-ND2 3.04Å; F71-N74 CarbonylContact O-C 3.31Å; F71-N74 PolarHBondContact O-N 2.97Å; W72-N74 VanDerWaalsContact C-N 3.33Å; W72-N74 PolarHBondContact O-N 3.03Å; N74-H76 PolarHBondContact O-N 2.97Å
75Q97.5Very high97.8Very high60 Ų6084.7 Ų84.728%0.2843%0.433SS..  trans-65.2137.7-177.970.1-171.7-2500111.3F71 W72F71-Q75 HydrophobicContact CE1-CB 4.43Å; F71-Q75 HydrophobicContact CE2-CB 4.5Å; F71-Q75 HydrophobicContact CZ-CB 4.21Å; F71-Q75 WeakPolarHBondContact O-CB 3.43Å; F71-Q75 PolarHBondContact O-N 3.25Å; W72-Q75 WeakPolarHBondContact O-CG 3.34Å; W72-Q75 PolarHBondContact O-NE2 3.12Å
76H97.9Very high97.8Very high43 Ų4383.9 Ų83.920%0.19944%0.439CS..  trans-59.5133.2173.3-167.1-85.3000110.9H26 W30 N74 Q78 P79H26-H76 PolarHBondContact ND1-N 3.31Å; W30-H76 HydrophobicContact CD2-CB 4.37Å; W30-H76 AromaticContact CD2-CD2 3.45Å; W30-H76 VanDerWaalsContact CD2-CD2 3.45Å; W30-H76 AromaticContact CE2-CD2 3.66Å; W30-H76 AromaticContact CE3-CD2 3.56Å; W30-H76 HydrophobicContact CG-CB 4.46Å; W30-H76 AromaticContact CG-CD2 3.95Å; W30-H76 HydrophobicContact CZ2-CB 4.31Å; W30-H76 AromaticContact CZ2-CD2 3.98Å; W30-H76 AromaticContact CZ3-CD2 3.85Å; N74-H76 PolarHBondContact O-N 2.97Å; H76-Q78 VanDerWaalsContact C-N 3.31Å; H76-Q78 PolarHBondContact CE1-O 3.39Å; H76-Q78 PolarHBondContact ND1-N 3.04Å; H76-Q78 VanDerWaalsContact ND1-N 3.11Å; H76-Q78 PolarHBondContact ND1-O 2.68Å; H76-Q78 PolarHBondContact O-N 2.73Å; H76-P79 WeakPolarHBondContact O-CD 3.45Å
77P97.8Very high97.7Very high117 Ų11784.3 Ų84.376%0.7645%0.449SS*.SBendtrans-60.1-37-178-26.134.3000114.1
78Q97.2Very high97.7Very high162 Ų16284.2 Ų84.276%0.75745%0.448SS*.SBendtrans-126.277.7177.8-172.9179.77.100109.5H76H76-Q78 VanDerWaalsContact C-N 3.31Å; H76-Q78 PolarHBondContact CE1-O 3.39Å; H76-Q78 PolarHBondContact ND1-N 3.04Å; H76-Q78 VanDerWaalsContact ND1-N 3.11Å; H76-Q78 PolarHBondContact ND1-O 2.68Å; H76-Q78 PolarHBondContact O-N 2.73Å
79P97.8Very high97.6Very high38 Ų3885.4 Ų85.425%0.24746%0.461CS..  trans-61.8154.7-176.127.3-34.3000111.1H76 I81H76-P79 WeakPolarHBondContact O-CD 3.45Å; P79-I81 PolarHBondContact O-N 3.12Å
80Y97.8Very high97.6Very high128 Ų12881.1 Ų81.150%0.50244%0.443SS..  trans-64.5121.8171177.4-96000110S29 F82S29-Y80 PolarHBondContact OG-N 3.25Å; Y80-F82 AromaticContact CE1-CD1 3.65Å; Y80-F82 HydrophobicContact CE1-CD1 3.65Å; Y80-F82 HydrophobicContact CE1-CD2 4.35Å; Y80-F82 AromaticContact CE1-CE1 3.63Å; Y80-F82 HydrophobicContact CE1-CE1 3.63Å; Y80-F82 HydrophobicContact CE1-CE2 4.32Å; Y80-F82 HydrophobicContact CE1-CG 4.02Å; Y80-F82 AromaticContact CE1-CZ 3.97Å; Y80-F82 HydrophobicContact CE1-CZ 3.97Å
81I98Very high97.6Very high73 Ų7381.8 Ų81.837%0.37444%0.443SS..  trans-116.7128175.9-55.3174.2000107.3P79P79-I81 PolarHBondContact O-N 3.12Å
82F97.9Very high97.5Very high83 Ų8385.7 Ų85.736%0.36446%0.462SS..  trans-60.8143.3176.7-66.3-82.5000110.2Y80 D84 S85Y80-F82 AromaticContact CE1-CD1 3.65Å; Y80-F82 HydrophobicContact CE1-CD1 3.65Å; Y80-F82 HydrophobicContact CE1-CD2 4.35Å; Y80-F82 AromaticContact CE1-CE1 3.63Å; Y80-F82 HydrophobicContact CE1-CE1 3.63Å; Y80-F82 HydrophobicContact CE1-CE2 4.32Å; Y80-F82 HydrophobicContact CE1-CG 4.02Å; Y80-F82 AromaticContact CE1-CZ 3.97Å; Y80-F82 HydrophobicContact CE1-CZ 3.97Å; F82-D84 VanDerWaalsContact C-N 3.3Å; F82-D84 PolarHBondContact O-N 2.95Å; F82-D84 VanDerWaalsContact O-N 3.17Å; F82-S85 WeakPolarHBondContact O-CB 3.43Å; F82-S85 PolarHBondContact O-N 3.44Å
83P98.2Very high97.4Very high55 Ų5584.1 Ų84.136%0.35746%0.456SS..THydrogen-bonded Turntrans-52.5-45-172.5-2935.3000114.1G88 T89 S90 Y91P83-G88 CarbonylContact O-C 3.3Å; P83-G88 VanDerWaalsContact O-C 3.31Å; P83-G88 WeakPolarHBondContact O-CA 3.43Å; P83-T89 PolarHBondContact O-N 2.83Å; P83-S90 WeakPolarHBondContact CB-OG 3.41Å; P83-S90 CarbonylContact O-C 3.57Å; P83-S90 VanDerWaalsContact O-C 3.3Å; P83-S90 WeakPolarHBondContact O-CA 3.37Å; P83-S90 PolarHBondContact O-N 2.98Å; P83-S90 PolarHBondContact O-OG 3.13Å; P83-S90 VanDerWaalsContact O-OG 3.12Å; P83-Y91 PolarHBondContact O-N 3.35Å
84D96.9Very high97.3Very high86 Ų8682.1 Ų82.146%0.4644%0.436SS..THydrogen-bonded Turntrans-87.3-3.8-176.7-62-20.9000113.3F82 S90 R177F82-D84 VanDerWaalsContact C-N 3.3Å; F82-D84 PolarHBondContact O-N 2.95Å; F82-D84 VanDerWaalsContact O-N 3.17Å; D84-S90 PolarHBondContact OD1-OG 3.08Å; D84-R177 IonicContact OD2-NH2 3.15Å; D84-R177 PolarHBondContact OD2-NH2 3.15Å
85S97.1Very high97.3Very high46 Ų4682.2 Ų82.232%0.32243%0.433SS..SBendtrans-80.7156.2175.5-70.20000111.7F82 G87 G88 Y91F82-S85 WeakPolarHBondContact O-CB 3.43Å; F82-S85 PolarHBondContact O-N 3.44Å; S85-G87 PolarHBondContact O-N 3.43Å; S85-G88 WeakPolarHBondContact O-CA 3.48Å; S85-G88 PolarHBondContact O-N 2.99Å; S85-Y91 VanDerWaalsContact C-CD2 3.44Å; S85-Y91 WeakPolarHBondContact O-CB 3.45Å; S85-Y91 WeakPolarHBondContact O-CD2 3.43Å
86P96.9Very high97.2Very high96 Ų9684 Ų8462%0.62345%0.451SS*.THydrogen-bonded Turntrans-52.7125.3174.7-26.634000112.6G88 Y91P86-G88 VanDerWaalsContact C-N 3.34Å; P86-Y91 VanDerWaalsContact CA-CD2 3.47Å; P86-Y91 HydrophobicContact CB-CD2 4.36Å; P86-Y91 HydrophobicContact CB-CE1 4.5Å; P86-Y91 HydrophobicContact CB-CE2 4Å; P86-Y91 HydrophobicContact CG-CD2 4.26Å; P86-Y91 HydrophobicContact CG-CE2 3.64Å
87G96.3Very high97.2Very high62 Ų6288.3 Ų88.364%0.63947%0.467SS*.THydrogen-bonded Turntrans85.10.3-17400000115.1S85S85-G87 PolarHBondContact O-N 3.43Å
88G97.4Very high97.2Very high16 Ų1685.4 Ų85.417%0.16544%0.442CS..SBendtrans-79.2166.6172.200000112.7P83 S85 P86 S90 Y91P83-G88 CarbonylContact O-C 3.3Å; P83-G88 VanDerWaalsContact O-C 3.31Å; P83-G88 WeakPolarHBondContact O-CA 3.43Å; S85-G88 WeakPolarHBondContact O-CA 3.48Å; S85-G88 PolarHBondContact O-N 2.99Å; P86-G88 VanDerWaalsContact C-N 3.34Å; G88-S90 VanDerWaalsContact C-N 3.3Å; G88-S90 PolarHBondContact O-N 3.17Å; G88-Y91 PolarHBondContact O-N 3.23Å
89T97.9Very high97.1Very high120 Ų12082 Ų8274%0.73643%0.433SS*.THydrogen-bonded Turntrans-75.3-12.4-173.458.10000115.1P83 R93P83-T89 PolarHBondContact O-N 2.83Å; T89-R93 PolarHBondContact O-NH2 3.32Å
90S97.2Very high97.1Very high18 Ų1882.5 Ų82.513%0.12644%0.436CS..THydrogen-bonded Turntrans-123.615.517556.20000112.8P83 D84 G88 E92 R93P83-S90 WeakPolarHBondContact CB-OG 3.41Å; P83-S90 CarbonylContact O-C 3.57Å; P83-S90 VanDerWaalsContact O-C 3.3Å; P83-S90 WeakPolarHBondContact O-CA 3.37Å; P83-S90 PolarHBondContact O-N 2.98Å; P83-S90 PolarHBondContact O-OG 3.13Å; P83-S90 VanDerWaalsContact O-OG 3.12Å; D84-S90 PolarHBondContact OD1-OG 3.08Å; G88-S90 VanDerWaalsContact C-N 3.3Å; G88-S90 PolarHBondContact O-N 3.17Å; S90-E92 PolarHBondContact O-N 3.42Å; S90-R93 WeakPolarHBondContact O-CB 3.19Å; S90-R93 PolarHBondContact O-N 3.13Å; S90-R93 VanDerWaalsContact O-N 3.13Å
91Y97.4Very high97Very high96 Ų9678 Ų7838%0.37642%0.419SS..THydrogen-bonded Turntrans-58128.8175.2-175.4-113.6000110.2P83 S85 P86 G88 R93P83-Y91 PolarHBondContact O-N 3.35Å; S85-Y91 VanDerWaalsContact C-CD2 3.44Å; S85-Y91 WeakPolarHBondContact O-CB 3.45Å; S85-Y91 WeakPolarHBondContact O-CD2 3.43Å; P86-Y91 VanDerWaalsContact CA-CD2 3.47Å; P86-Y91 HydrophobicContact CB-CD2 4.36Å; P86-Y91 HydrophobicContact CB-CE1 4.5Å; P86-Y91 HydrophobicContact CB-CE2 4Å; P86-Y91 HydrophobicContact CG-CD2 4.26Å; P86-Y91 HydrophobicContact CG-CE2 3.64Å; G88-Y91 PolarHBondContact O-N 3.23Å; Y91-R93 PolarHBondContact O-N 2.94Å
92E96.6Very high96.9Very high115 Ų11581.3 Ų81.354%0.53743%0.427SS..THydrogen-bonded Turntrans56.412.3-178.3-66.6169.3178.600115.2S90 Y94 E95S90-E92 PolarHBondContact O-N 3.42Å; E92-Y94 PolarHBondContact O-N 3.3Å; E92-Y94 VanDerWaalsContact O-N 3.08Å; E92-E95 HydrophobicContact CB-CB 4.22Å; E92-E95 VanDerWaalsContact O-CB 3.29Å; E92-E95 WeakPolarHBondContact O-CB 3.27Å; E92-E95 PolarHBondContact O-N 2.69Å
93R96.8Very high96.9Very high144 Ų14479.4 Ų79.454%0.54342%0.422SS..THydrogen-bonded Turntrans-53-36.6179.9176.9-179.7-66.4-113.7-1.6113T89 S90 Y91T89-R93 PolarHBondContact O-NH2 3.32Å; S90-R93 WeakPolarHBondContact O-CB 3.19Å; S90-R93 PolarHBondContact O-N 3.13Å; S90-R93 VanDerWaalsContact O-N 3.13Å; Y91-R93 PolarHBondContact O-N 2.94Å
94Y96.6Very high96.9Very high71 Ų7178.3 Ų78.328%0.27841%0.413SS..THydrogen-bonded Turntrans-97.83.6-176.9-59.3-72000113.7E92 C96 Y97 R177 T179E92-Y94 PolarHBondContact O-N 3.3Å; E92-Y94 VanDerWaalsContact O-N 3.08Å; Y94-C96 VanDerWaalsContact C-N 3.27Å; Y94-C96 PolarHBondContact O-N 2.89Å; Y94-Y97 HydrophobicContact CD1-CD2 4.04Å; Y94-Y97 HydrophobicContact CD1-CE2 4.25Å; Y94-Y97 PolarHBondContact O-N 3.33Å; Y94-Y97 VanDerWaalsContact O-N 3.1Å; Y94-R177 HydrophobicContact CD2-CG 4.33Å; Y94-R177 HydrophobicContact CE2-CG 4.43Å; Y94-T179 HydrophobicContact CD1-CG2 3.91Å; Y94-T179 HydrophobicContact CE1-CG2 3.84Å
95E96.6Very high96.8Very high97 Ų9776.9 Ų76.945%0.45341%0.406SS..G310 helixtrans-62.7-35.1-176.3-161.361.5-148.700112E92 Y97 K98E92-E95 HydrophobicContact CB-CB 4.22Å; E92-E95 VanDerWaalsContact O-CB 3.29Å; E92-E95 WeakPolarHBondContact O-CB 3.27Å; E92-E95 PolarHBondContact O-N 2.69Å; E95-Y97 PolarHBondContact O-N 2.99Å; E95-Y97 VanDerWaalsContact O-N 3.13Å; E95-K98 WeakPolarHBondContact O-CB 3.34Å; E95-K98 PolarHBondContact O-N 3.49Å; E95-K98 WeakPolarHBondContact OE2-CD 3.48Å; E95-K98 WeakPolarHBondContact OE2-CE 3.45Å; E95-K98 IonicContact OE2-NZ 2.8Å; E95-K98 PolarHBondContact OE2-NZ 3.27Å
96C95.9Very high96.9Very high97 Ų9781.6 Ų81.666%0.65542%0.422SS*.G310 helixtrans-62.7-18.9176.660.10000114.4Y94Y94-C96 VanDerWaalsContact C-N 3.27Å; Y94-C96 PolarHBondContact O-N 2.89Å
97Y96.9Very high96.9Very high135 Ų13581.4 Ų81.453%0.52941%0.409SS..G310 helixtrans-96.6-6177.1-53.7-64.7000113Y94 E95 V99Y94-Y97 HydrophobicContact CD1-CD2 4.04Å; Y94-Y97 HydrophobicContact CD1-CE2 4.25Å; Y94-Y97 PolarHBondContact O-N 3.33Å; Y94-Y97 VanDerWaalsContact O-N 3.1Å; E95-Y97 PolarHBondContact O-N 2.99Å; E95-Y97 VanDerWaalsContact O-N 3.13Å; Y97-V99 PolarHBondContact O-N 2.89Å
98K96.9Very high97Very high56 Ų5684 Ų8424%0.24340%0.404CS..  trans-82.270.2-179.3-68.8-175.1-162.3165.50110.6E95 P174 P178E95-K98 WeakPolarHBondContact O-CB 3.34Å; E95-K98 PolarHBondContact O-N 3.49Å; E95-K98 WeakPolarHBondContact OE2-CD 3.48Å; E95-K98 WeakPolarHBondContact OE2-CE 3.45Å; E95-K98 IonicContact OE2-NZ 2.8Å; E95-K98 PolarHBondContact OE2-NZ 3.27Å; K98-P174 HydrophobicContact CB-CB 3.6Å; K98-P174 HydrophobicContact CB-CG 3.97Å; K98-P174 HydrophobicContact CD-CB 4.29Å; K98-P174 HydrophobicContact CG-CB 3.86Å; K98-P178 HydrophobicContact CG-CG 3.76Å
99V96.4Very high97Very high91 Ų9187.6 Ų87.655%0.55243%0.425SS*.  trans-67126.6175.6-175.40000109Y97 V103Y97-V99 PolarHBondContact O-N 2.89Å; V99-V103 HydrophobicContact CG1-CB 3.71Å; V99-V103 HydrophobicContact CG1-CG1 3.88Å; V99-V103 HydrophobicContact CG1-CG2 3.8Å
100P96.8Very high97Very high48 Ų4885.7 Ų85.731%0.31242%0.417SS..  trans-69.7146178.929.5-34.1000110.7W102 V103P100-W102 VanDerWaalsContact CB-NE1 3.33Å; P100-W102 HydrophobicContact CG-CD2 4.38Å; P100-W102 HydrophobicContact CG-CZ2 3.7Å; P100-W102 PolarHBondContact O-N 3.45Å; P100-W102 VanDerWaalsContact O-N 3.11Å; P100-V103 HydrophobicContact CG-CG2 3.95Å; P100-V103 WeakPolarHBondContact O-CB 3.06Å; P100-V103 PolarHBondContact O-N 3.46Å; P100-V103 VanDerWaalsContact O-N 3.11Å
101E96.6Very high97Very high33 Ų3389.6 Ų89.615%0.15443%0.433CS..G310 helixtrans-59.1-30.9-169.26479.1-164.400114.1V103 L104 R122 R129 W168E101-V103 PolarHBondContact O-N 2.82Å; E101-V103 VanDerWaalsContact O-N 3.17Å; E101-L104 WeakPolarHBondContact O-CB 3.45Å; E101-L104 WeakPolarHBondContact O-CG 3.44Å; E101-L104 PolarHBondContact O-N 3.05Å; E101-L104 VanDerWaalsContact O-N 3.11Å; E101-R122 PolarHBondContact O-NH1 3.46Å; E101-R122 PolarHBondContact O-NH2 2.85Å; E101-R122 IonicContact OE2-CZ 2.73Å; E101-R122 IonicContact OE2-NH1 3.61Å; E101-R122 PolarHBondContact OE2-NH1 3.47Å; E101-R122 IonicContact OE2-NH2 3.93Å; E101-R122 PolarHBondContact OE2-NH2 3.14Å; E101-R129 IonicContact OE1-NH1 2.77Å; E101-W168 WeakPolarHBondContact OE1-CZ2 3.32Å; E101-W168 PolarHBondContact OE1-NE1 3.32Å
102W96.7Very high97.1Very high142 Ų14287.8 Ų87.854%0.53843%0.427SS..G310 helixtrans-65.2-19.2-177.958.2-101.3000112.9P100 L104 D105 H106P100-W102 VanDerWaalsContact CB-NE1 3.33Å; P100-W102 HydrophobicContact CG-CD2 4.38Å; P100-W102 HydrophobicContact CG-CZ2 3.7Å; P100-W102 PolarHBondContact O-N 3.45Å; P100-W102 VanDerWaalsContact O-N 3.11Å; W102-L104 PolarHBondContact O-N 2.94Å; W102-D105 WeakPolarHBondContact O-CB 3.29Å; W102-D105 PolarHBondContact O-N 3.04Å; W102-D105 VanDerWaalsContact O-N 3.07Å; W102-H106 AromaticContact CE3-NE2 3.85Å; W102-H106 AromaticContact CZ3-NE2 3.93Å
103V97.2Very high97.1Very high43 Ų4385.8 Ų85.826%0.26143%0.43SS..G310 helixtrans-61.1-30174.6173.70000111.6V99 P100 E101 D105 H106V99-V103 HydrophobicContact CG1-CB 3.71Å; V99-V103 HydrophobicContact CG1-CG1 3.88Å; V99-V103 HydrophobicContact CG1-CG2 3.8Å; P100-V103 HydrophobicContact CG-CG2 3.95Å; P100-V103 WeakPolarHBondContact O-CB 3.06Å; P100-V103 PolarHBondContact O-N 3.46Å; P100-V103 VanDerWaalsContact O-N 3.11Å; E101-V103 PolarHBondContact O-N 2.82Å; E101-V103 VanDerWaalsContact O-N 3.17Å; V103-D105 PolarHBondContact O-N 3.13Å; V103-H106 PolarHBondContact O-N 3.1Å
104L96.9Very high97.2Very high33 Ų3385.2 Ų85.217%0.17344%0.435CS..G310 helixtrans-64.1-20.6177.7-62.2173.1000112.8E101 W102 H106 W107 K112 Y118 F119E101-L104 WeakPolarHBondContact O-CB 3.45Å; E101-L104 WeakPolarHBondContact O-CG 3.44Å; E101-L104 PolarHBondContact O-N 3.05Å; E101-L104 VanDerWaalsContact O-N 3.11Å; W102-L104 PolarHBondContact O-N 2.94Å; L104-H106 PolarHBondContact O-N 3.33Å; L104-W107 HydrophobicContact CD2-CD2 4.15Å; L104-W107 HydrophobicContact CD2-CH2 4.09Å; L104-W107 HydrophobicContact CD2-CZ2 3.48Å; L104-W107 VanDerWaalsContact CD2-CZ2 3.48Å; L104-W107 PolarHBondContact O-N 2.99Å; L104-K112 WeakPolarHBondContact O-CE 3.49Å; L104-Y118 HydrophobicContact CD1-CE1 4.03Å; L104-Y118 WeakPolarHBondContact CD1-OH 3.43Å; L104-F119 HydrophobicContact CB-CE1 4.32Å
105D96.6Very high97.2Very high56 Ų5687.2 Ų87.230%0.29944%0.443SS..G310 helixtrans-71-25176.6-68.6-7000111.5W102 V103 K112 R122 K126W102-D105 WeakPolarHBondContact O-CB 3.29Å; W102-D105 PolarHBondContact O-N 3.04Å; W102-D105 VanDerWaalsContact O-N 3.07Å; V103-D105 PolarHBondContact O-N 3.13Å; D105-K112 PolarHBondContact O-NZ 3.06Å; D105-R122 IonicContact OD1-CZ 2.75Å; D105-R122 IonicContact OD1-NE 3.05Å; D105-R122 PolarHBondContact OD1-NE 3.46Å; D105-R122 IonicContact OD1-NH2 2.69Å; D105-R122 PolarHBondContact OD1-NH2 3.18Å; D105-R122 IonicContact OD2-NH2 2.96Å; D105-K126 IonicContact OD1-NZ 2.85Å; D105-K126 PolarHBondContact OD1-NZ 3.11Å; D105-K126 VanDerWaalsContact OD1-NZ 3.15Å; D105-K126 IonicContact OD2-NZ 3.46Å; D105-K126 PolarHBondContact OD2-NZ 3.04Å
106H97.4Very high97.3Very high144 Ų14486.5 Ų86.567%0.66745%0.446SS*.G310 helixtrans-86.3-3.9-179.5-60.4-64.6000114.5W102 V103 L104W102-H106 AromaticContact CE3-NE2 3.85Å; W102-H106 AromaticContact CZ3-NE2 3.93Å; V103-H106 PolarHBondContact O-N 3.1Å; L104-H106 PolarHBondContact O-N 3.33Å
107W97.8Very high97.4Very high92 Ų9287.4 Ų87.435%0.34845%0.445SS..SBendtrans-63.1146.1177.5-74.422.8000111.9L104 E111 K112 Y115 F119L104-W107 HydrophobicContact CD2-CD2 4.15Å; L104-W107 HydrophobicContact CD2-CH2 4.09Å; L104-W107 HydrophobicContact CD2-CZ2 3.48Å; L104-W107 VanDerWaalsContact CD2-CZ2 3.48Å; L104-W107 PolarHBondContact O-N 2.99Å; W107-E111 HydrophobicContact CE3-CB 4.13Å; W107-K112 HydrophobicContact CB-CD 4.45Å; W107-K112 HydrophobicContact CB-CG 3.86Å; W107-K112 WeakPolarHBondContact O-CE 3.42Å; W107-Y115 HydrophobicContact CZ3-CD2 4.18Å; W107-Y115 HydrophobicContact CZ3-CE2 4.12Å; W107-F119 HydrophobicContact CD2-CZ 4.45Å; W107-F119 HydrophobicContact CE3-CE2 4.27Å; W107-F119 AromaticContact CE3-CZ 3.93Å; W107-F119 HydrophobicContact CE3-CZ 3.93Å; W107-F119 HydrophobicContact CZ3-CZ 4.4Å
108H98.1Very high97.5Very high116 Ų11686.8 Ų86.854%0.53744%0.442SS..  trans-67.2145.1177.6-175-100.3000110.3S110 E111 K112H108-S110 WeakPolarHBondContact ND1-CB 3.25Å; H108-S110 PolarHBondContact ND1-N 3.47Å; H108-S110 PolarHBondContact ND1-OG 3.25Å; H108-S110 PolarHBondContact O-N 3.18Å; H108-S110 VanDerWaalsContact O-N 3.1Å; H108-E111 HydrophobicContact CB-CG 4.23Å; H108-E111 PolarHBondContact N-OE2 3.26Å; H108-E111 WeakPolarHBondContact O-CB 3.46Å; H108-E111 PolarHBondContact O-N 2.9Å; H108-K112 PolarHBondContact O-N 3.36Å
109P97.9Very high97.5Very high93 Ų9385.1 Ų85.160%0.60444%0.435SS*.Hα-helixtrans-53.4-33.5-180-30.837.4000114.8E111 K112 A113P109-E111 VanDerWaalsContact C-N 3.32Å; P109-E111 PolarHBondContact O-N 3.35Å; P109-K112 PolarHBondContact O-N 3.03Å; P109-A113 WeakPolarHBondContact O-CB 3.4Å; P109-A113 PolarHBondContact O-N 3.26Å
110S97.9Very high97.6Very high80 Ų8083.7 Ų83.756%0.55943%0.429SS*.Hα-helixtrans-65.2-34.6175.667.20000113H108H108-S110 WeakPolarHBondContact ND1-CB 3.25Å; H108-S110 PolarHBondContact ND1-N 3.47Å; H108-S110 PolarHBondContact ND1-OG 3.25Å; H108-S110 PolarHBondContact O-N 3.18Å; H108-S110 VanDerWaalsContact O-N 3.1Å
111E97.9Very high97.6Very high99 Ų9987.4 Ų87.446%0.46344%0.44SS..Hα-helixtrans-74.9-38.8177.2-59.1170.9146.100110.4W107 H108 P109 A113 M114W107-E111 HydrophobicContact CE3-CB 4.13Å; H108-E111 HydrophobicContact CB-CG 4.23Å; H108-E111 PolarHBondContact N-OE2 3.26Å; H108-E111 WeakPolarHBondContact O-CB 3.46Å; H108-E111 PolarHBondContact O-N 2.9Å; P109-E111 VanDerWaalsContact C-N 3.32Å; P109-E111 PolarHBondContact O-N 3.35Å; E111-A113 VanDerWaalsContact C-N 3.31Å; E111-A113 PolarHBondContact O-N 3.48Å; E111-M114 VanDerWaalsContact O-CB 3.25Å; E111-M114 WeakPolarHBondContact O-CB 3.37Å; E111-M114 PolarHBondContact O-N 2.95Å
112K97.8Very high97.7Very high59 Ų5986.7 Ų86.726%0.25744%0.437SS..Hα-helixtrans-64.4-37.5174.5-64.2-174.61781670112.1L104 D105 W107 H108 P109 M114 Y115 F119L104-K112 WeakPolarHBondContact O-CE 3.49Å; D105-K112 PolarHBondContact O-NZ 3.06Å; W107-K112 HydrophobicContact CB-CD 4.45Å; W107-K112 HydrophobicContact CB-CG 3.86Å; W107-K112 WeakPolarHBondContact O-CE 3.42Å; H108-K112 PolarHBondContact O-N 3.36Å; P109-K112 PolarHBondContact O-N 3.03Å; K112-M114 PolarHBondContact O-N 3.26Å; K112-M114 VanDerWaalsContact O-N 3.15Å; K112-Y115 CarbonylContact O-C 3.52Å; K112-Y115 PolarHBondContact O-N 2.83Å; K112-F119 HydrophobicContact CB-CD2 3.89Å; K112-F119 HydrophobicContact CB-CE2 3.89Å; K112-F119 HydrophobicContact CB-CG 4.27Å; K112-F119 HydrophobicContact CB-CZ 4.23Å; K112-F119 HydrophobicContact CD-CD1 4.2Å; K112-F119 HydrophobicContact CD-CE1 4.02Å; K112-F119 HydrophobicContact CD-CZ 4.34Å; K112-F119 HydrophobicContact CG-CD1 4.27Å; K112-F119 HydrophobicContact CG-CD2 4.24Å; K112-F119 HydrophobicContact CG-CE1 3.88Å; K112-F119 HydrophobicContact CG-CE2 3.88Å; K112-F119 HydrophobicContact CG-CG 4.45Å; K112-F119 HydrophobicContact CG-CZ 3.69Å; K112-F119 WeakPolarHBondContact O-CD2 3.45Å
113A97.2Very high97.7Very high73 Ų7384.6 Ų84.660%0.60343%0.433SS*.THydrogen-bonded Turntrans-61.7-19.3177.700000113.3P109 E111 Y115P109-A113 WeakPolarHBondContact O-CB 3.4Å; P109-A113 PolarHBondContact O-N 3.26Å; E111-A113 VanDerWaalsContact C-N 3.31Å; E111-A113 PolarHBondContact O-N 3.48Å; A113-Y115 VanDerWaalsContact C-N 3.27Å; A113-Y115 PolarHBondContact O-N 3.45Å
114M98.3Very high97.7Very high132 Ų13288.9 Ų88.965%0.6545%0.45SS*.THydrogen-bonded Turntrans-67.6-26172.4-171.7177.617700112.7E111 K112 P116E111-M114 VanDerWaalsContact O-CB 3.25Å; E111-M114 WeakPolarHBondContact O-CB 3.37Å; E111-M114 PolarHBondContact O-N 2.95Å; K112-M114 PolarHBondContact O-N 3.26Å; K112-M114 VanDerWaalsContact O-N 3.15Å; M114-P116 VanDerWaalsContact C-CD 3.45Å; M114-P116 WeakPolarHBondContact O-CD 3.35Å
115Y98.1Very high97.7Very high112 Ų11293.4 Ų93.444%0.43947%0.465SS..SBendtrans-12759.7-175.6-54.2-77.9000112.2W107 K112 A113 D117 Y118 F119W107-Y115 HydrophobicContact CZ3-CD2 4.18Å; W107-Y115 HydrophobicContact CZ3-CE2 4.12Å; K112-Y115 CarbonylContact O-C 3.52Å; K112-Y115 PolarHBondContact O-N 2.83Å; A113-Y115 VanDerWaalsContact C-N 3.27Å; A113-Y115 PolarHBondContact O-N 3.45Å; Y115-D117 PolarHBondContact O-N 3.15Å; Y115-Y118 PolarHBondContact O-N 3.16Å; Y115-F119 WeakPolarHBondContact O-CD2 3.4Å; Y115-F119 PolarHBondContact O-N 3.09Å; Y115-F119 VanDerWaalsContact O-N 3.14Å
116P97.4Very high97.8Very high82 Ų8293.2 Ų93.253%0.53246%0.461SS..Hα-helixtrans-61.6-41.3-169.125.1-34000112.9M114 Y118 S120M114-P116 VanDerWaalsContact C-CD 3.45Å; M114-P116 WeakPolarHBondContact O-CD 3.35Å; P116-Y118 VanDerWaalsContact C-N 3.35Å; P116-Y118 PolarHBondContact O-N 3.29Å; P116-S120 WeakPolarHBondContact O-CB 3.39Å; P116-S120 PolarHBondContact O-N 3.32Å; P116-S120 PolarHBondContact O-OG 3.35Å
117D98.3Very high97.8Very high116 Ų11692.2 Ų92.262%0.6246%0.455SS*.Hα-helixtrans-69.4-32-179.8-67.8-17.2000113.1Y115 S120 K121Y115-D117 PolarHBondContact O-N 3.15Å; D117-S120 WeakPolarHBondContact CA-OG 3.11Å; D117-S120 PolarHBondContact O-OG 3.25Å; D117-K121 WeakPolarHBondContact O-CB 3.3Å; D117-K121 WeakPolarHBondContact O-CD 3.26Å; D117-K121 VanDerWaalsContact O-CG 3.25Å; D117-K121 WeakPolarHBondContact O-CG 3.48Å; D117-K121 PolarHBondContact O-N 3.02Å
118Y98.3Very high97.7Very high122 Ų12291.1 Ų91.148%0.47846%0.455SS..Hα-helixtrans-71-49.4177.9175.3-94.5000110.3L104 Y115 P116 K121 R122L104-Y118 HydrophobicContact CD1-CE1 4.03Å; L104-Y118 WeakPolarHBondContact CD1-OH 3.43Å; Y115-Y118 PolarHBondContact O-N 3.16Å; P116-Y118 VanDerWaalsContact C-N 3.35Å; P116-Y118 PolarHBondContact O-N 3.29Å; Y118-K121 PolarHBondContact O-N 3.33Å; Y118-R122 WeakPolarHBondContact O-CB 3.32Å; Y118-R122 PolarHBondContact O-N 2.91Å
119F98.1Very high97.6Very high22 Ų2290.2 Ų90.210%0.09645%0.447CS..Hα-helixtrans-68-35.5-179.9-77.5-76.6000112.2L104 W107 K112 Y115 K121 R122 E123L104-F119 HydrophobicContact CB-CE1 4.32Å; W107-F119 HydrophobicContact CD2-CZ 4.45Å; W107-F119 HydrophobicContact CE3-CE2 4.27Å; W107-F119 AromaticContact CE3-CZ 3.93Å; W107-F119 HydrophobicContact CE3-CZ 3.93Å; W107-F119 HydrophobicContact CZ3-CZ 4.4Å; K112-F119 HydrophobicContact CB-CD2 3.89Å; K112-F119 HydrophobicContact CB-CE2 3.89Å; K112-F119 HydrophobicContact CB-CG 4.27Å; K112-F119 HydrophobicContact CB-CZ 4.23Å; K112-F119 HydrophobicContact CD-CD1 4.2Å; K112-F119 HydrophobicContact CD-CE1 4.02Å; K112-F119 HydrophobicContact CD-CZ 4.34Å; K112-F119 HydrophobicContact CG-CD1 4.27Å; K112-F119 HydrophobicContact CG-CD2 4.24Å; K112-F119 HydrophobicContact CG-CE1 3.88Å; K112-F119 HydrophobicContact CG-CE2 3.88Å; K112-F119 HydrophobicContact CG-CG 4.45Å; K112-F119 HydrophobicContact CG-CZ 3.69Å; K112-F119 WeakPolarHBondContact O-CD2 3.45Å; Y115-F119 WeakPolarHBondContact O-CD2 3.4Å; Y115-F119 PolarHBondContact O-N 3.09Å; Y115-F119 VanDerWaalsContact O-N 3.14Å; F119-K121 PolarHBondContact O-N 3.5Å; F119-R122 PolarHBondContact O-N 2.82Å; F119-E123 WeakPolarHBondContact O-CG 3.4Å; F119-E123 PolarHBondContact O-N 2.97Å
120S97.3Very high97.6Very high61 Ų6192 Ų9243%0.42745%0.449SS..Hα-helixtrans-62.6-42.1174.267.50000112.5P116 D117P116-S120 WeakPolarHBondContact O-CB 3.39Å; P116-S120 PolarHBondContact O-N 3.32Å; P116-S120 PolarHBondContact O-OG 3.35Å; D117-S120 WeakPolarHBondContact CA-OG 3.11Å; D117-S120 PolarHBondContact O-OG 3.25Å
121K98.1Very high97.4Very high125 Ų12593.4 Ų93.454%0.54345%0.447SS..Hα-helixtrans-66-42173.4-71.8172.2-173.6173.90111.7D117 Y118 F119 E123 Q124 W125D117-K121 WeakPolarHBondContact O-CB 3.3Å; D117-K121 WeakPolarHBondContact O-CD 3.26Å; D117-K121 VanDerWaalsContact O-CG 3.25Å; D117-K121 WeakPolarHBondContact O-CG 3.48Å; D117-K121 PolarHBondContact O-N 3.02Å; Y118-K121 PolarHBondContact O-N 3.33Å; F119-K121 PolarHBondContact O-N 3.5Å; K121-E123 VanDerWaalsContact C-N 3.29Å; K121-E123 PolarHBondContact O-N 2.82Å; K121-Q124 VanDerWaalsContact O-CB 3.3Å; K121-Q124 WeakPolarHBondContact O-CB 3.47Å; K121-Q124 PolarHBondContact O-N 3.4Å; K121-W125 PolarHBondContact O-N 2.95Å
122R97.4Very high97.4Very high19 Ų1989.1 Ų89.17%0.07243%0.428CS..Hα-helixtrans-58.3-40.1178.4179.7178.7170.4816.4112.1E101 D105 Y118 F119 Q124 W125 K126E101-R122 PolarHBondContact O-NH1 3.46Å; E101-R122 PolarHBondContact O-NH2 2.85Å; E101-R122 IonicContact OE2-CZ 2.73Å; E101-R122 IonicContact OE2-NH1 3.61Å; E101-R122 PolarHBondContact OE2-NH1 3.47Å; E101-R122 IonicContact OE2-NH2 3.93Å; E101-R122 PolarHBondContact OE2-NH2 3.14Å; D105-R122 IonicContact OD1-CZ 2.75Å; D105-R122 IonicContact OD1-NE 3.05Å; D105-R122 PolarHBondContact OD1-NE 3.46Å; D105-R122 IonicContact OD1-NH2 2.69Å; D105-R122 PolarHBondContact OD1-NH2 3.18Å; D105-R122 IonicContact OD2-NH2 2.96Å; Y118-R122 WeakPolarHBondContact O-CB 3.32Å; Y118-R122 PolarHBondContact O-N 2.91Å; F119-R122 PolarHBondContact O-N 2.82Å; R122-Q124 VanDerWaalsContact C-N 3.27Å; R122-Q124 PolarHBondContact O-N 3.25Å; R122-W125 WeakPolarHBondContact O-CB 3.38Å; R122-W125 PolarHBondContact O-N 3.15Å; R122-W125 VanDerWaalsContact O-N 3.1Å; R122-K126 HydrophobicContact CG-CD 4.34Å; R122-K126 PolarHBondContact O-N 3.24Å
123E97.1Very high97.3Very high97 Ų9792 Ų9245%0.45344%0.437SS..Hα-helixtrans-62.8-33.3175.9-69.3-52133.400112.6F119 K121 K126 K127F119-E123 WeakPolarHBondContact O-CG 3.4Å; F119-E123 PolarHBondContact O-N 2.97Å; K121-E123 VanDerWaalsContact C-N 3.29Å; K121-E123 PolarHBondContact O-N 2.82Å; E123-K126 PolarHBondContact O-N 2.97Å; E123-K126 IonicContact OE1-NZ 3.15Å; E123-K127 WeakPolarHBondContact O-CB 3.37Å; E123-K127 PolarHBondContact O-N 2.94Å
124Q97.8Very high97.3Very high133 Ų13394.2 Ų94.262%0.62144%0.439SS*.Hα-helixtrans-63.3-41.7172.4-58.3173.31.200111.4K121 R122 K127 L128K121-Q124 VanDerWaalsContact O-CB 3.3Å; K121-Q124 WeakPolarHBondContact O-CB 3.47Å; K121-Q124 PolarHBondContact O-N 3.4Å; R122-Q124 VanDerWaalsContact C-N 3.27Å; R122-Q124 PolarHBondContact O-N 3.25Å; Q124-K127 PolarHBondContact O-N 3.36Å; Q124-L128 WeakPolarHBondContact O-CB 3.16Å; Q124-L128 PolarHBondContact O-N 2.95Å
125W97.7Very high97.2Very high128 Ų12894.4 Ų94.449%0.48543%0.432SS..Hα-helixtrans-65.5-41.8175.6-78.489.4000112.7K121 R122 L128 R129 W167 W168 V171K121-W125 PolarHBondContact O-N 2.95Å; R122-W125 WeakPolarHBondContact O-CB 3.38Å; R122-W125 PolarHBondContact O-N 3.15Å; R122-W125 VanDerWaalsContact O-N 3.1Å; W125-L128 WeakPolarHBondContact O-CB 3.45Å; W125-L128 PolarHBondContact O-N 3.11Å; W125-R129 PolarHBondContact O-N 3.17Å; W125-W167 AromaticContact CE3-CH2 3.9Å; W125-W167 HydrophobicContact CE3-CH2 3.9Å; W125-W167 HydrophobicContact CE3-CZ3 4.17Å; W125-W167 AromaticContact CZ3-CH2 3.96Å; W125-W167 HydrophobicContact CZ3-CH2 3.96Å; W125-W167 AromaticContact CZ3-CZ3 3.88Å; W125-W167 HydrophobicContact CZ3-CZ3 3.88Å; W125-W168 HydrophobicContact CB-CH2 4.29Å; W125-W168 HydrophobicContact CB-CZ3 4.36Å; W125-V171 HydrophobicContact CZ3-CG1 4.27Å
126K97.1Very high97.1Very high52 Ų5289.3 Ų89.323%0.22641%0.413CS..Hα-helixtrans-64.3-41.5176-70.3177.765.31700111.3D105 R122 E123 R129 M130D105-K126 IonicContact OD1-NZ 2.85Å; D105-K126 PolarHBondContact OD1-NZ 3.11Å; D105-K126 VanDerWaalsContact OD1-NZ 3.15Å; D105-K126 IonicContact OD2-NZ 3.46Å; D105-K126 PolarHBondContact OD2-NZ 3.04Å; R122-K126 HydrophobicContact CG-CD 4.34Å; R122-K126 PolarHBondContact O-N 3.24Å; E123-K126 PolarHBondContact O-N 2.97Å; E123-K126 IonicContact OE1-NZ 3.15Å; K126-R129 PolarHBondContact O-N 3.4Å; K126-M130 WeakPolarHBondContact O-CG 3.25Å; K126-M130 PolarHBondContact O-N 3.11Å
127K97.5Very high97.1Very high123 Ų12387.4 Ų87.454%0.53540%0.399SS..Hα-helixtrans-59.9-45.6173.4-175.6177.1179.4179.40111.5E123 Q124 R129 M130 Q131E123-K127 WeakPolarHBondContact O-CB 3.37Å; E123-K127 PolarHBondContact O-N 2.94Å; Q124-K127 PolarHBondContact O-N 3.36Å; K127-R129 PolarHBondContact O-N 3.1Å; K127-M130 PolarHBondContact O-N 2.82Å; K127-Q131 VanDerWaalsContact CE-NE2 3.31Å; K127-Q131 WeakPolarHBondContact O-CB 3.42Å; K127-Q131 VanDerWaalsContact O-CG 3.29Å; K127-Q131 WeakPolarHBondContact O-CG 3.45Å; K127-Q131 PolarHBondContact O-N 2.9Å
128L96.5Very high97Very high69 Ų6984.4 Ų84.436%0.36139%0.391SS..Hα-helixtrans-58.9-46.3176.5-179.662.1000111.5Q124 W125 M130 Q131 S132 L163Q124-L128 WeakPolarHBondContact O-CB 3.16Å; Q124-L128 PolarHBondContact O-N 2.95Å; W125-L128 WeakPolarHBondContact O-CB 3.45Å; W125-L128 PolarHBondContact O-N 3.11Å; L128-M130 PolarHBondContact O-N 2.66Å; L128-Q131 PolarHBondContact O-N 2.99Å; L128-S132 WeakPolarHBondContact O-CB 3.33Å; L128-S132 PolarHBondContact O-N 2.89Å; L128-S132 PolarHBondContact O-OG 3.32Å; L128-L163 HydrophobicContact CD1-CD1 4.01Å; L128-L163 HydrophobicContact CD2-CD1 3.95Å; L128-L163 HydrophobicContact CG-CD1 3.76Å
129R96.8Very high96.8Very high97 Ų9779.7 Ų79.737%0.36637%0.373SS..Hα-helixtrans-58.7-45.1176.3-173.5-164.5-177.8174.8-4.3112.5E101 W125 K126 K127 Q131 S132 W133 W167 W168E101-R129 IonicContact OE1-NH1 2.77Å; W125-R129 PolarHBondContact O-N 3.17Å; K126-R129 PolarHBondContact O-N 3.4Å; K127-R129 PolarHBondContact O-N 3.1Å; R129-Q131 VanDerWaalsContact C-N 3.33Å; R129-S132 PolarHBondContact O-N 2.83Å; R129-S132 PolarHBondContact O-OG 2.96Å; R129-W133 PolarHBondContact O-N 3.43Å; R129-W133 VanDerWaalsContact O-N 3.1Å; R129-W167 HydrophobicContact CB-CZ2 4.31Å; R129-W168 HydrophobicContact CB-CD2 4.47Å; R129-W168 HydrophobicContact CB-CE3 3.75Å; R129-W168 HydrophobicContact CB-CZ3 3.79Å; R129-W168 HydrophobicContact CG-CB 4.44Å; R129-W168 HydrophobicContact CG-CD2 3.97Å; R129-W168 HydrophobicContact CG-CE3 3.68Å; R129-W168 HydrophobicContact CG-CG 4.31Å; R129-W168 HydrophobicContact CG-CZ3 4.2Å; R129-W168 VanDerWaalsContact CZ-CG 3.44Å; R129-W168 VanDerWaalsContact NH1-CE2 3.3Å
130M96Very high96.7Very high130 Ų13080.1 Ų80.164%0.6438%0.376SS*.Hα-helixtrans-64.7-39.1178.6-71-175.2-65.500111.7K126 K127 L128K126-M130 WeakPolarHBondContact O-CG 3.25Å; K126-M130 PolarHBondContact O-N 3.11Å; K127-M130 PolarHBondContact O-N 2.82Å; L128-M130 PolarHBondContact O-N 2.66Å
131Q95.4Very high96.7Very high110 Ų11084.2 Ų84.251%0.51439%0.389SS..Hα-helixtrans-71.5-31.2179.1-71.9177-15.900113.3K127 L128 R129K127-Q131 VanDerWaalsContact CE-NE2 3.31Å; K127-Q131 WeakPolarHBondContact O-CB 3.42Å; K127-Q131 VanDerWaalsContact O-CG 3.29Å; K127-Q131 WeakPolarHBondContact O-CG 3.45Å; K127-Q131 PolarHBondContact O-N 2.9Å; L128-Q131 PolarHBondContact O-N 2.99Å; R129-Q131 VanDerWaalsContact C-N 3.33Å
132S96.5Very high96.5Very high9 Ų982.3 Ų82.36%0.06340%0.397CS..Hα-helixtrans-81.9-30-179.770.10000112.7L128 R129 D134 R135 E136 W167L128-S132 WeakPolarHBondContact O-CB 3.33Å; L128-S132 PolarHBondContact O-N 2.89Å; L128-S132 PolarHBondContact O-OG 3.32Å; R129-S132 PolarHBondContact O-N 2.83Å; R129-S132 PolarHBondContact O-OG 2.96Å; S132-D134 PolarHBondContact O-N 3.32Å; S132-R135 WeakPolarHBondContact O-CB 3.33Å; S132-R135 PolarHBondContact O-N 3.39Å; S132-E136 WeakPolarHBondContact CB-OE1 3.41Å; S132-E136 WeakPolarHBondContact O-CG 3.43Å; S132-E136 PolarHBondContact O-N 3.3Å; S132-E136 PolarHBondContact OG-OE1 2.94Å; S132-W167 PolarHBondContact OG-NE1 3.23Å
133W96.9Very high96.4Very high120 Ų12085.1 Ų85.146%0.45541%0.41SS..Hα-helixtrans-50.4-53.7-172-178.5-103.3000114.4R129 R135 E136 V137 L166R129-W133 PolarHBondContact O-N 3.43Å; R129-W133 VanDerWaalsContact O-N 3.1Å; W133-R135 VanDerWaalsContact C-N 3.26Å; W133-R135 PolarHBondContact O-N 3.25Å; W133-E136 WeakPolarHBondContact O-CB 3.45Å; W133-E136 PolarHBondContact O-N 2.99Å; W133-V137 HydrophobicContact CD2-CG2 4.14Å; W133-V137 HydrophobicContact CH2-CG2 4.49Å; W133-V137 HydrophobicContact CZ2-CG2 3.91Å; W133-V137 WeakPolarHBondContact O-CG2 3.46Å; W133-V137 PolarHBondContact O-N 2.95Å; W133-L166 HydrophobicContact CH2-CD2 4.14Å; W133-L166 HydrophobicContact CZ3-CD2 3.95Å
134D96.4Very high96.2Very high119 Ų11983.1 Ų83.164%0.63641%0.405SS*.Hα-helixtrans-64.2-33.9-176.8-64-23.7000112S132 A138S132-D134 PolarHBondContact O-N 3.32Å; D134-A138 VanDerWaalsContact O-CB 3.28Å; D134-A138 WeakPolarHBondContact O-CB 3.42Å; D134-A138 PolarHBondContact O-N 3.48Å
135R96.1Very high96.1Very high136 Ų13680 Ų8051%0.51340%0.396SS..Hα-helixtrans-71.6-41177.3-56-173.5-168.6171.93.8111.6S132 W133 A138 Q139 D162S132-R135 WeakPolarHBondContact O-CB 3.33Å; S132-R135 PolarHBondContact O-N 3.39Å; W133-R135 VanDerWaalsContact C-N 3.26Å; W133-R135 PolarHBondContact O-N 3.25Å; R135-A138 PolarHBondContact O-N 3.32Å; R135-Q139 WeakPolarHBondContact O-CB 3.47Å; R135-Q139 PolarHBondContact O-N 3.46Å; R135-D162 WeakPolarHBondContact CD-OD1 3.26Å; R135-D162 IonicContact CZ-OD1 3.99Å; R135-D162 IonicContact NE-OD1 3.98Å; R135-D162 IonicContact NH1-OD1 3.32Å; R135-D162 PolarHBondContact NH1-OD1 2.84Å
136E96.4Very high95.8Very high6 Ų681.6 Ų81.63%0.02842%0.42CS..Hα-helixtrans-61-47.6175.4-69.6172.9-134.900110.9S132 W133 Q139 L140 P165 L166 W167S132-E136 WeakPolarHBondContact CB-OE1 3.41Å; S132-E136 WeakPolarHBondContact O-CG 3.43Å; S132-E136 PolarHBondContact O-N 3.3Å; S132-E136 PolarHBondContact OG-OE1 2.94Å; W133-E136 WeakPolarHBondContact O-CB 3.45Å; W133-E136 PolarHBondContact O-N 2.99Å; E136-Q139 PolarHBondContact O-N 2.55Å; E136-L140 WeakPolarHBondContact O-CG 3.35Å; E136-L140 PolarHBondContact O-N 3.06Å; E136-P165 HydrophobicContact CB-CB 4.13Å; E136-P165 HydrophobicContact CB-CG 4.4Å; E136-P165 HydrophobicContact CG-CB 4.49Å; E136-P165 WeakPolarHBondContact OE2-CA 3.47Å; E136-L166 PolarHBondContact OE2-N 3.01Å; E136-W167 PolarHBondContact OE1-NE1 3.1Å
137V96.8Very high95.6Very high41 Ų4183.1 Ų83.125%0.24845%0.451CS..Hα-helixtrans-62.9-47.3178173.60000110.5W133 Q139 L140 E141W133-V137 HydrophobicContact CD2-CG2 4.14Å; W133-V137 HydrophobicContact CH2-CG2 4.49Å; W133-V137 HydrophobicContact CZ2-CG2 3.91Å; W133-V137 WeakPolarHBondContact O-CG2 3.46Å; W133-V137 PolarHBondContact O-N 2.95Å; V137-Q139 VanDerWaalsContact C-N 3.29Å; V137-Q139 PolarHBondContact O-N 3.1Å; V137-L140 PolarHBondContact O-N 2.94Å; V137-L140 VanDerWaalsContact O-N 3.11Å; V137-E141 HydrophobicContact CG1-CG 4.35Å; V137-E141 WeakPolarHBondContact O-CG 3.48Å; V137-E141 PolarHBondContact O-N 3.3Å
138A96.2Very high95.4Very high54 Ų5478.4 Ų78.445%0.44644%0.437SS..Hα-helixtrans-60.2-38.6176.900000112.4D134 R135 A142D134-A138 VanDerWaalsContact O-CB 3.28Å; D134-A138 WeakPolarHBondContact O-CB 3.42Å; D134-A138 PolarHBondContact O-N 3.48Å; R135-A138 PolarHBondContact O-N 3.32Å; A138-A142 VanDerWaalsContact O-CB 3.26Å; A138-A142 WeakPolarHBondContact O-CB 3.5Å; A138-A142 PolarHBondContact O-N 3.18Å
139Q95.8Very high95.2Very high22 Ų2279.8 Ų79.810%0.10345%0.45CS..Hα-helixtrans-64-44.5174.3-173.6-171.6-20.300111.3R135 E136 V137 A142 E143 P156R135-Q139 WeakPolarHBondContact O-CB 3.47Å; R135-Q139 PolarHBondContact O-N 3.46Å; E136-Q139 PolarHBondContact O-N 2.55Å; V137-Q139 VanDerWaalsContact C-N 3.29Å; V137-Q139 PolarHBondContact O-N 3.1Å; Q139-A142 PolarHBondContact O-N 3.43Å; Q139-E143 HydrophobicContact CG-CG 4.42Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.29Å; Q139-E143 PolarHBondContact NE2-OE1 2.94Å; Q139-E143 WeakPolarHBondContact O-CB 3.14Å; Q139-E143 PolarHBondContact O-N 3.31Å; Q139-P156 PolarHBondContact NE2-O 2.87Å
140L96.1Very high94.9Very high32 Ų3284.2 Ų84.217%0.16847%0.472CS..Hα-helixtrans-63.2-45.5178.2-72.8174.1000111.6E136 V137 A142 E143 T144 L154 P155 P165 L166E136-L140 WeakPolarHBondContact O-CG 3.35Å; E136-L140 PolarHBondContact O-N 3.06Å; V137-L140 PolarHBondContact O-N 2.94Å; V137-L140 VanDerWaalsContact O-N 3.11Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 3.21Å; L140-E143 PolarHBondContact O-N 3.29Å; L140-T144 WeakPolarHBondContact O-CB 3.48Å; L140-T144 PolarHBondContact O-N 2.91Å; L140-T144 PolarHBondContact O-OG1 3.48Å; L140-L154 HydrophobicContact CD2-CD2 4.26Å; L140-P155 HydrophobicContact CD2-CG 3.98Å; L140-P165 HydrophobicContact CD1-CB 3.76Å; L140-P165 HydrophobicContact CD2-CB 3.76Å; L140-P165 HydrophobicContact CD2-CG 4.12Å; L140-P165 HydrophobicContact CG-CB 3.63Å; L140-P165 HydrophobicContact CG-CG 4.06Å; L140-L166 HydrophobicContact CD1-CD1 4.42Å; L140-L166 HydrophobicContact CD1-CG 4.17Å
141E95.4Very high94.6Very high146 Ų14681.5 Ų81.568%0.68246%0.463SS*.Hα-helixtrans-62.4-38177.3-71.2177.4170.500112V137V137-E141 HydrophobicContact CG1-CG 4.35Å; V137-E141 WeakPolarHBondContact O-CG 3.48Å; V137-E141 PolarHBondContact O-N 3.3Å
142A95.1Very high94.4Very high86 Ų8683.2 Ų83.271%0.71147%0.471SS*.Hα-helixtrans-72.4-38.5178.300000113.6A138 Q139 L140A138-A142 VanDerWaalsContact O-CB 3.26Å; A138-A142 WeakPolarHBondContact O-CB 3.5Å; A138-A142 PolarHBondContact O-N 3.18Å; Q139-A142 PolarHBondContact O-N 3.43Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 3.21Å
143E94.4Very high94.1Very high78 Ų7886.3 Ų86.336%0.36450%0.497SS..Hα-helixtrans-87.9-17.4-178.2-68.5-169.9-143.400113.1Q139 L140 P155 R158Q139-E143 HydrophobicContact CG-CG 4.42Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.29Å; Q139-E143 PolarHBondContact NE2-OE1 2.94Å; Q139-E143 WeakPolarHBondContact O-CB 3.14Å; Q139-E143 PolarHBondContact O-N 3.31Å; L140-E143 PolarHBondContact O-N 3.29Å; E143-P155 WeakPolarHBondContact OE2-CB 3.37Å; E143-R158 WeakPolarHBondContact OE1-CG 3.44Å; E143-R158 IonicContact OE1-CZ 3.82Å; E143-R158 IonicContact OE1-NE 2.8Å; E143-R158 PolarHBondContact OE1-NE 3.36Å; E143-R158 IonicContact OE1-NH2 3.84Å; E143-R158 IonicContact OE2-CZ 2.76Å; E143-R158 IonicContact OE2-NE 2.92Å; E143-R158 PolarHBondContact OE2-NE 3.02Å; E143-R158 IonicContact OE2-NH2 3.33Å; E143-R158 PolarHBondContact OE2-NH2 2.6Å
144T94.6Very high93.9Very high55 Ų5584.2 Ų84.234%0.33749%0.494SS..SBendtrans-77.1127.3-179.2-61.80000110.8L140 P149L140-T144 WeakPolarHBondContact O-CB 3.48Å; L140-T144 PolarHBondContact O-N 2.91Å; L140-T144 PolarHBondContact O-OG1 3.48Å; T144-P149 HydrophobicContact CG2-CB 4.47Å
145P94.5Very high93.8Very high68 Ų6879.7 Ų79.744%0.44247%0.471SS..  trans-60.1153.4174.7-22.633.5000112.3G147 G148P145-G147 PolarHBondContact O-N 3.11Å; P145-G148 WeakPolarHBondContact O-CA 3.48Å; P145-G148 PolarHBondContact O-N 2.94Å
146T91.5Very high93.8Very high161 Ų16176.8 Ų76.899%0.98847%0.47SS*.THydrogen-bonded Turntrans-55.4-27.3-179.4-43.20000114.2G148T146-G148 VanDerWaalsContact C-N 3.28Å; T146-G148 PolarHBondContact O-N 3.34Å
147G92.8Very high93.8Very high84 Ų8478.1 Ų78.187%0.86648%0.482SS*.THydrogen-bonded Turntrans-84.910.8175.400000115P145P145-G147 PolarHBondContact O-N 3.11Å
148G92.9Very high93.6Very high24 Ų2483.5 Ų83.525%0.24750%0.498CS..  trans84.4176.8-172.200000113.8P145 T146P145-G148 WeakPolarHBondContact O-CA 3.48Å; P145-G148 PolarHBondContact O-N 2.94Å; T146-G148 VanDerWaalsContact C-N 3.28Å; T146-G148 PolarHBondContact O-N 3.34Å
149P93Very high93.5Very high97 Ų9788.2 Ų88.263%0.6351%0.508SS*.  trans-69.7132-179.628.8-33.9000110.9T144T144-P149 HydrophobicContact CG2-CB 4.47Å
150K89.7Confident93.4Very high191 Ų19196.9 Ų96.983%0.8355%0.548SS*.SBendtrans-79.2-19.7177.7-64.9-177.5179.1178.60113.4
151T90.2Very high93.1Very high72 Ų7298.5 Ų98.544%0.44257%0.573SS.*SBendtrans-144.4160.2-176.364.20000110.2A153T151-A153 PolarHBondContact O-N 3.31Å
152E90.5Very high93.1Very high147 Ų14793.2 Ų93.269%0.68755%0.55SS*.SBendtrans-76.31.6175.7-58.2177-167.600113.7A6 L154A6-E152 HydrophobicContact CB-CB 4.34Å; A6-E152 WeakPolarHBondContact CB-OE2 3.23Å; A6-E152 WeakPolarHBondContact O-CB 3.34Å; A6-E152 WeakPolarHBondContact O-CG 3.46Å; E152-L154 PolarHBondContact O-N 2.97Å
153A91.6Very high93.1Very high73 Ų7391.4 Ų91.460%0.60353%0.528SS*.PPolyproline II helixtrans-72.8121.818000000111.4T151T151-A153 PolarHBondContact O-N 3.31Å
154L92.5Very high93.3Very high76 Ų7690.6 Ų90.640%0.39853%0.53SS..PPolyproline II helixtrans-83.9142.4174.4-62.4172.5000110.8L140 E152 L166 F170L140-L154 HydrophobicContact CD2-CD2 4.26Å; E152-L154 PolarHBondContact O-N 2.97Å; L154-L166 HydrophobicContact CD1-CB 3.98Å; L154-L166 HydrophobicContact CD1-CD1 4.13Å; L154-L166 HydrophobicContact CD1-CG 4.47Å; L154-L166 HydrophobicContact CD2-CD1 3.93Å; L154-F170 HydrophobicContact CD1-CE2 4.27Å
155P93.9Very high93.4Very high25 Ų2588.2 Ų88.216%0.16252%0.515CS..PPolyproline II helixtrans-70.4152.5175.630.6-34.3000111.2L140 E143 P165L140-P155 HydrophobicContact CD2-CG 3.98Å; E143-P155 WeakPolarHBondContact OE2-CB 3.37Å; P155-P165 HydrophobicContact CG-CG 4.32Å; P155-P165 WeakPolarHBondContact O-CD 3.35Å
156P96.1Very high93.5Very high74 Ų7487.9 Ų87.948%0.48151%0.509SS..PPolyproline II helixtrans-7416417033.2-35.5000111.1Q139 R158Q139-P156 PolarHBondContact NE2-O 2.87Å; P156-R158 PolarHBondContact O-N 2.92Å
157A96.4Very high93.7Very high34 Ų3481.2 Ų81.228%0.28147%0.466SS..PPolyproline II helixtrans-59.2135.316900000110.8D162 P164A157-D162 HydrophobicContact CB-CB 4.44Å; A157-D162 WeakPolarHBondContact CB-O 3.37Å; A157-P164 HydrophobicContact CB-CG 4.39Å
158R93.3Very high93.9Very high154 Ų15478.3 Ų78.358%0.58143%0.429SS*.  trans-100-25.2-176.1-58.3-58-174.4176.6-0.2114.5E143 P156E143-R158 WeakPolarHBondContact OE1-CG 3.44Å; E143-R158 IonicContact OE1-CZ 3.82Å; E143-R158 IonicContact OE1-NE 2.8Å; E143-R158 PolarHBondContact OE1-NE 3.36Å; E143-R158 IonicContact OE1-NH2 3.84Å; E143-R158 IonicContact OE2-CZ 2.76Å; E143-R158 IonicContact OE2-NE 2.92Å; E143-R158 PolarHBondContact OE2-NE 3.02Å; E143-R158 IonicContact OE2-NH2 3.33Å; E143-R158 PolarHBondContact OE2-NH2 2.6Å; P156-R158 PolarHBondContact O-N 2.92Å
159K94.1Very high94Very high154 Ų15483.1 Ų83.167%0.6745%0.445SS*.SBendtrans-115.2151.3-174.6-57.8176.3-175.4170.30110G161 D162K159-G161 PolarHBondContact O-N 2.88Å; K159-D162 HydrophobicContact CB-CB 4.5Å; K159-D162 WeakPolarHBondContact CB-OD2 3.12Å; K159-D162 PolarHBondContact O-N 3.42Å
160E93.1Very high94.1Very high203 Ų20383.7 Ų83.795%0.94944%0.438SS*.THydrogen-bonded Turntrans-63.1131.6173.6-170.7174.5-176.500110.3D162E160-D162 VanDerWaalsContact C-N 3.32Å; E160-D162 PolarHBondContact O-N 3.42Å
161G90.6Very high94.4Very high67 Ų6778.7 Ų78.769%0.69142%0.423SS*.THydrogen-bonded Turntrans84.8-7.3-177.600000115.6K159K159-G161 PolarHBondContact O-N 2.88Å
162D94.4Very high94.8Very high34 Ų3477 Ų7718%0.18241%0.412CS..PPolyproline II helixtrans-85.8151.2171.2-72.9-16.3000111.2R135 A157 K159 E160R135-D162 WeakPolarHBondContact CD-OD1 3.26Å; R135-D162 IonicContact CZ-OD1 3.99Å; R135-D162 IonicContact NE-OD1 3.98Å; R135-D162 IonicContact NH1-OD1 3.32Å; R135-D162 PolarHBondContact NH1-OD1 2.84Å; A157-D162 HydrophobicContact CB-CB 4.44Å; A157-D162 WeakPolarHBondContact CB-O 3.37Å; K159-D162 HydrophobicContact CB-CB 4.5Å; K159-D162 WeakPolarHBondContact CB-OD2 3.12Å; K159-D162 PolarHBondContact O-N 3.42Å; E160-D162 VanDerWaalsContact C-N 3.32Å; E160-D162 PolarHBondContact O-N 3.42Å
163L96.1Very high95.1Very high48 Ų4877.8 Ų77.825%0.25141%0.409SS..PPolyproline II helixtrans-101.3151.5176-63.4179.2000110.7L128 W167L128-L163 HydrophobicContact CD1-CD1 4.01Å; L128-L163 HydrophobicContact CD2-CD1 3.95Å; L128-L163 HydrophobicContact CG-CD1 3.76Å; L163-W167 HydrophobicContact CB-CG 4.43Å; L163-W167 HydrophobicContact CD1-CD2 4.33Å; L163-W167 VanDerWaalsContact CD1-CE2 3.49Å; L163-W167 HydrophobicContact CD1-CH2 4.32Å; L163-W167 HydrophobicContact CD1-CZ2 3.48Å; L163-W167 VanDerWaalsContact CD1-CZ2 3.48Å
164P97.1Very high95.3Very high62 Ų6276.6 Ų76.640%0.40340%0.395SS..PPolyproline II helixtrans-60138.6177.8-22.633.5000111.1A157 L166 W167A157-P164 HydrophobicContact CB-CG 4.39Å; P164-L166 PolarHBondContact O-N 2.92Å; P164-W167 VanDerWaalsContact O-CB 3.26Å; P164-W167 WeakPolarHBondContact O-CB 3.43Å; P164-W167 PolarHBondContact O-N 3.46Å
165P96.8Very high95.5Very high4 Ų482 Ų823%0.02641%0.41CS..THydrogen-bonded Turntrans-56139.5178.4-27.534.8000114.4E136 L140 P155 W167E136-P165 HydrophobicContact CB-CB 4.13Å; E136-P165 HydrophobicContact CB-CG 4.4Å; E136-P165 HydrophobicContact CG-CB 4.49Å; E136-P165 WeakPolarHBondContact OE2-CA 3.47Å; L140-P165 HydrophobicContact CD1-CB 3.76Å; L140-P165 HydrophobicContact CD2-CB 3.76Å; L140-P165 HydrophobicContact CD2-CG 4.12Å; L140-P165 HydrophobicContact CG-CB 3.63Å; L140-P165 HydrophobicContact CG-CG 4.06Å; P155-P165 HydrophobicContact CG-CG 4.32Å; P155-P165 WeakPolarHBondContact O-CD 3.35Å; P165-W167 PolarHBondContact O-N 2.78Å
166L96.1Very high95.5Very high62 Ų6287.9 Ų87.933%0.32544%0.436SS..THydrogen-bonded Turntrans59.525.7178.4-51.3178000114.2W133 E136 L140 L154 P164 W168 F170W133-L166 HydrophobicContact CH2-CD2 4.14Å; W133-L166 HydrophobicContact CZ3-CD2 3.95Å; E136-L166 PolarHBondContact OE2-N 3.01Å; L140-L166 HydrophobicContact CD1-CD1 4.42Å; L140-L166 HydrophobicContact CD1-CG 4.17Å; L154-L166 HydrophobicContact CD1-CB 3.98Å; L154-L166 HydrophobicContact CD1-CD1 4.13Å; L154-L166 HydrophobicContact CD1-CG 4.47Å; L154-L166 HydrophobicContact CD2-CD1 3.93Å; P164-L166 PolarHBondContact O-N 2.92Å; L166-W168 VanDerWaalsContact C-N 3.31Å; L166-W168 PolarHBondContact O-N 2.91Å; L166-F170 WeakPolarHBondContact O-CD2 3.45Å
167W97.1Very high95.4Very high20 Ų2091 Ų918%0.07644%0.438CS..  trans-64.3-30-175.965.9-82.3000114.3W125 R129 S132 E136 L163 P164 P165 Q169 F170 V171W125-W167 AromaticContact CE3-CH2 3.9Å; W125-W167 HydrophobicContact CE3-CH2 3.9Å; W125-W167 HydrophobicContact CE3-CZ3 4.17Å; W125-W167 AromaticContact CZ3-CH2 3.96Å; W125-W167 HydrophobicContact CZ3-CH2 3.96Å; W125-W167 AromaticContact CZ3-CZ3 3.88Å; W125-W167 HydrophobicContact CZ3-CZ3 3.88Å; R129-W167 HydrophobicContact CB-CZ2 4.31Å; S132-W167 PolarHBondContact OG-NE1 3.23Å; E136-W167 PolarHBondContact OE1-NE1 3.1Å; L163-W167 HydrophobicContact CB-CG 4.43Å; L163-W167 HydrophobicContact CD1-CD2 4.33Å; L163-W167 VanDerWaalsContact CD1-CE2 3.49Å; L163-W167 HydrophobicContact CD1-CH2 4.32Å; L163-W167 HydrophobicContact CD1-CZ2 3.48Å; L163-W167 VanDerWaalsContact CD1-CZ2 3.48Å; P164-W167 VanDerWaalsContact O-CB 3.26Å; P164-W167 WeakPolarHBondContact O-CB 3.43Å; P164-W167 PolarHBondContact O-N 3.46Å; P165-W167 PolarHBondContact O-N 2.78Å; W167-Q169 PolarHBondContact O-N 3.37Å; W167-F170 PolarHBondContact O-N 3.06Å; W167-V171 HydrophobicContact CE3-CB 3.64Å; W167-V171 HydrophobicContact CE3-CG1 4.09Å; W167-V171 HydrophobicContact CE3-CG2 3.58Å; W167-V171 HydrophobicContact CZ3-CB 3.86Å; W167-V171 HydrophobicContact CZ3-CG1 3.84Å; W167-V171 HydrophobicContact CZ3-CG2 4.2Å; W167-V171 PolarHBondContact O-N 3.5Å; W167-V171 VanDerWaalsContact O-N 3.09Å
168W97.3Very high95.1Very high23 Ų2391.4 Ų91.49%0.08744%0.438CS..Hα-helixtrans-51.8-55.2-166.6-177-99.4000112.7E101 W125 R129 L166 F170 V171 T172E101-W168 WeakPolarHBondContact OE1-CZ2 3.32Å; E101-W168 PolarHBondContact OE1-NE1 3.32Å; W125-W168 HydrophobicContact CB-CH2 4.29Å; W125-W168 HydrophobicContact CB-CZ3 4.36Å; R129-W168 HydrophobicContact CB-CD2 4.47Å; R129-W168 HydrophobicContact CB-CE3 3.75Å; R129-W168 HydrophobicContact CB-CZ3 3.79Å; R129-W168 HydrophobicContact CG-CB 4.44Å; R129-W168 HydrophobicContact CG-CD2 3.97Å; R129-W168 HydrophobicContact CG-CE3 3.68Å; R129-W168 HydrophobicContact CG-CG 4.31Å; R129-W168 HydrophobicContact CG-CZ3 4.2Å; R129-W168 VanDerWaalsContact CZ-CG 3.44Å; R129-W168 VanDerWaalsContact NH1-CE2 3.3Å; L166-W168 VanDerWaalsContact C-N 3.31Å; L166-W168 PolarHBondContact O-N 2.91Å; W168-F170 PolarHBondContact O-N 2.92Å; W168-F170 VanDerWaalsContact O-N 3.15Å; W168-V171 PolarHBondContact O-N 2.81Å; W168-V171 VanDerWaalsContact O-N 3.16Å; W168-T172 HydrophobicContact CD2-CG2 3.64Å; W168-T172 HydrophobicContact CE3-CG2 3.79Å; W168-T172 HydrophobicContact CG-CG2 4.32Å; W168-T172 HydrophobicContact CH2-CG2 3.89Å; W168-T172 HydrophobicContact CZ2-CG2 3.73Å; W168-T172 HydrophobicContact CZ3-CG2 3.91Å; W168-T172 PolarHBondContact NE1-OG1 3.19Å; W168-T172 PolarHBondContact O-N 3.44Å; W168-T172 PolarHBondContact O-OG1 3.06Å
169Q93.9Very high94.1Very high125 Ų12591.1 Ų91.158%0.58445%0.453SS*.Hα-helixtrans-60.7-28.2-177.365.2-175.3-400113.7W167 R173W167-Q169 PolarHBondContact O-N 3.37Å; Q169-R173 WeakPolarHBondContact O-CB 3.19Å; Q169-R173 PolarHBondContact O-N 3.07Å
170F95.3Very high94.1Very high110 Ų11088 Ų8848%0.48244%0.442SS..Hα-helixtrans-81.3-36.2179.9-62.1-74.1000112L154 L166 W167 W168 R173L154-F170 HydrophobicContact CD1-CE2 4.27Å; L166-F170 WeakPolarHBondContact O-CD2 3.45Å; W167-F170 PolarHBondContact O-N 3.06Å; W168-F170 PolarHBondContact O-N 2.92Å; W168-F170 VanDerWaalsContact O-N 3.15Å; F170-R173 WeakPolarHBondContact O-CG 3.18Å; F170-R173 PolarHBondContact O-NH1 3.25Å
171V96.9Very high94.1Very high86 Ų8681.9 Ų81.952%0.52142%0.415SS..Hα-helixtrans-82-39.8-178.5174.10000111.5W125 W167 W168 R173W125-V171 HydrophobicContact CZ3-CG1 4.27Å; W167-V171 HydrophobicContact CE3-CB 3.64Å; W167-V171 HydrophobicContact CE3-CG1 4.09Å; W167-V171 HydrophobicContact CE3-CG2 3.58Å; W167-V171 HydrophobicContact CZ3-CB 3.86Å; W167-V171 HydrophobicContact CZ3-CG1 3.84Å; W167-V171 HydrophobicContact CZ3-CG2 4.2Å; W167-V171 PolarHBondContact O-N 3.5Å; W167-V171 VanDerWaalsContact O-N 3.09Å; W168-V171 PolarHBondContact O-N 2.81Å; W168-V171 VanDerWaalsContact O-N 3.16Å; V171-R173 VanDerWaalsContact C-N 3.33Å
172T96.8Very high94.3Very high36 Ų3682.7 Ų82.722%0.22140%0.4CS..SBendtrans-95.815.9-178.272.10000113.3W168W168-T172 HydrophobicContact CD2-CG2 3.64Å; W168-T172 HydrophobicContact CE3-CG2 3.79Å; W168-T172 HydrophobicContact CG-CG2 4.32Å; W168-T172 HydrophobicContact CH2-CG2 3.89Å; W168-T172 HydrophobicContact CZ2-CG2 3.73Å; W168-T172 HydrophobicContact CZ3-CG2 3.91Å; W168-T172 PolarHBondContact NE1-OG1 3.19Å; W168-T172 PolarHBondContact O-N 3.44Å; W168-T172 PolarHBondContact O-OG1 3.06Å
173R96.9Very high94.3Very high164 Ų16485.6 Ų85.662%0.61941%0.413SS*.PPolyproline II helixtrans-58.6142.7174.170.4-178.9-173.8-105.28.1110.1Q169 F170 V171Q169-R173 WeakPolarHBondContact O-CB 3.19Å; Q169-R173 PolarHBondContact O-N 3.07Å; F170-R173 WeakPolarHBondContact O-CG 3.18Å; F170-R173 PolarHBondContact O-NH1 3.25Å; V171-R173 VanDerWaalsContact C-N 3.33Å
174P97Very high94.2Very high48 Ų4887.9 Ų87.931%0.31242%0.423SS..PPolyproline II helixtrans-55.1148.1172.7-25.835.5000111.5K98K98-P174 HydrophobicContact CB-CB 3.6Å; K98-P174 HydrophobicContact CB-CG 3.97Å; K98-P174 HydrophobicContact CD-CB 4.29Å; K98-P174 HydrophobicContact CG-CB 3.86Å
175R96.6Very high94Very high190 Ų19089.7 Ų89.772%0.71742%0.424SS*.PPolyproline II helixtrans-61151.2174-65.4-173.1-68-153.40.8110R177 P178R175-R177 PolarHBondContact O-N 2.77Å; R175-P178 WeakPolarHBondContact O-CD 3.28Å; R175-P178 VanDerWaalsContact O-CG 3.27Å; R175-P178 WeakPolarHBondContact O-CG 3.36Å
176E93.2Very high93.8Very high148 Ų14895.8 Ų95.869%0.69245%0.453SS*.SBendtrans-63-32.3178.5-70.5179.6-179.100112.5
177R94.1Very high93.6Very high140 Ų14098.4 Ų98.453%0.52846%0.463SS..  trans-12688176.3-60.6-178-178-171.8-1.3109.3D84 Y94 R175 T179D84-R177 IonicContact OD2-NH2 3.15Å; D84-R177 PolarHBondContact OD2-NH2 3.15Å; Y94-R177 HydrophobicContact CD2-CG 4.33Å; Y94-R177 HydrophobicContact CE2-CG 4.43Å; R175-R177 PolarHBondContact O-N 2.77Å; R177-T179 PolarHBondContact O-N 3.45Å; R177-T179 VanDerWaalsContact O-N 3.13Å
178P90.6Very high93.4Very high42 Ų42104.9 Ų104.927%0.27350%0.495SS..  trans-76.525.3175.4-14.631.3000114.4K98 R175K98-P178 HydrophobicContact CG-CG 3.76Å; R175-P178 WeakPolarHBondContact O-CD 3.28Å; R175-P178 VanDerWaalsContact O-CG 3.27Å; R175-P178 WeakPolarHBondContact O-CG 3.36Å
179T71.6Confident93Very high147 Ų147112.4 Ų112.490%0.90253%0.532SS*.  trans-93.70-179.953.90000111.9Y94 R177Y94-T179 HydrophobicContact CD1-CG2 3.91Å; Y94-T179 HydrophobicContact CE1-CG2 3.84Å; R177-T179 PolarHBondContact O-N 3.45Å; R177-T179 VanDerWaalsContact O-N 3.13Å

Retrieved 179 of 179 residues in 178.3 ms (Link to these results)

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