A0A2K6CEY2_MACNE Loading...

Gamma-secretase subunit APH-1

Potential subunit of the gamma-secretase complex, an endoprotease complex that catalyzes the intramembrane cleavage of integral proteins such as Notch receptors.

AlphaFold DB , UniProt , Accession A0A2K6CEY2, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene APH1B, Length 257 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
1M57.5Low90.8Very high197 Ų19769.3 Ų69.397%0.9740%0.397SS*.  0-33.50-71.4-177.370.100112.5A4 V5M1-A4 PolarHBondContact O-N 3.2Å; M1-V5 WeakPolarHBondContact O-CB 3.34Å; M1-V5 VanDerWaalsContact O-CG2 3.24Å; M1-V5 WeakPolarHBondContact O-CG2 3.36Å; M1-V5 PolarHBondContact O-N 2.81Å
2T80.5Confident91.5Very high50 Ų5066.9 Ų66.931%0.30738%0.381SS..Hα-helixtrans-61-60.2-169.556.60000116A4 V5 F6 L141 G142 P143T2-A4 VanDerWaalsContact C-N 3.29Å; T2-A4 PolarHBondContact O-N 3.04Å; T2-V5 PolarHBondContact O-N 2.85Å; T2-F6 WeakPolarHBondContact O-CB 3.47Å; T2-F6 PolarHBondContact O-N 3.13Å; T2-L141 WeakPolarHBondContact CB-O 3.29Å; T2-L141 WeakPolarHBondContact CG2-O 3.25Å; T2-G142 VanDerWaalsContact CG2-C 3.47Å; T2-G142 WeakPolarHBondContact CG2-O 3.37Å; T2-P143 VanDerWaalsContact CG2-CA 3.5Å; T2-P143 HydrophobicContact CG2-CB 4.45Å
3A90.3Very high92Very high48 Ų4861.8 Ų61.840%0.39735%0.352SS..Hα-helixtrans-63.1-36.7179.700000112.2F6 F7A3-F6 PolarHBondContact O-N 3.14Å; A3-F7 HydrophobicContact CB-CD2 4.43Å; A3-F7 HydrophobicContact CB-CE2 4.47Å; A3-F7 WeakPolarHBondContact O-CD2 3.44Å; A3-F7 PolarHBondContact O-N 3.08Å
4A93.2Very high92.5Very high75 Ų7560.2 Ų60.262%0.6234%0.339SS*.Hα-helixtrans-64.9-43.1177.600000112.1M1 T2 G8M1-A4 PolarHBondContact O-N 3.2Å; T2-A4 VanDerWaalsContact C-N 3.29Å; T2-A4 PolarHBondContact O-N 3.04Å; A4-G8 PolarHBondContact O-N 3.21Å
5V94.1Very high92.8Very high51 Ų5157.7 Ų57.731%0.30933%0.332SS..Hα-helixtrans-64.7-44.9174.9171.50000110.3M1 T2 G8 C9 F156M1-V5 WeakPolarHBondContact O-CB 3.34Å; M1-V5 VanDerWaalsContact O-CG2 3.24Å; M1-V5 WeakPolarHBondContact O-CG2 3.36Å; M1-V5 PolarHBondContact O-N 2.81Å; T2-V5 PolarHBondContact O-N 2.85Å; V5-G8 PolarHBondContact O-N 3.45Å; V5-C9 VanDerWaalsContact O-CB 3.28Å; V5-C9 WeakPolarHBondContact O-CB 3.3Å; V5-C9 PolarHBondContact O-N 2.93Å; V5-C9 PolarHBondContact O-SG 3.18Å; V5-F156 HydrophobicContact CG1-CB 4.38Å; V5-F156 HydrophobicContact CG1-CD2 4.43Å
6F95.9Very high93.2Very high49 Ų4957.1 Ų57.122%0.21533%0.331CS..Hα-helixtrans-56.1-57.3175.9173.9-92.5000111.8T2 A3 G8 C9 A10 L137 L141T2-F6 WeakPolarHBondContact O-CB 3.47Å; T2-F6 PolarHBondContact O-N 3.13Å; A3-F6 PolarHBondContact O-N 3.14Å; F6-G8 VanDerWaalsContact C-N 3.35Å; F6-G8 PolarHBondContact O-N 3.17Å; F6-C9 PolarHBondContact O-N 3.32Å; F6-A10 VanDerWaalsContact O-CB 3.25Å; F6-A10 WeakPolarHBondContact O-CB 3.35Å; F6-A10 PolarHBondContact O-N 3.48Å; F6-L137 HydrophobicContact CD2-CD1 3.91Å; F6-L137 HydrophobicContact CD2-CG 3.81Å; F6-L137 WeakPolarHBondContact CD2-O 3.5Å; F6-L137 HydrophobicContact CE2-CD1 4.27Å; F6-L137 HydrophobicContact CE2-CD2 4.16Å; F6-L137 HydrophobicContact CE2-CG 3.7Å; F6-L137 HydrophobicContact CG-CD1 4.5Å; F6-L141 HydrophobicContact CB-CD2 3.63Å; F6-L141 HydrophobicContact CB-CG 4.2Å; F6-L141 HydrophobicContact CD1-CD2 4.12Å; F6-L141 HydrophobicContact CD2-CD1 4.04Å; F6-L141 HydrophobicContact CD2-CD2 3.73Å; F6-L141 HydrophobicContact CD2-CG 3.62Å; F6-L141 HydrophobicContact CE2-CD1 4.09Å; F6-L141 HydrophobicContact CE2-CD2 4.42Å; F6-L141 HydrophobicContact CE2-CG 4.19Å; F6-L141 HydrophobicContact CG-CD2 3.55Å; F6-L141 HydrophobicContact CG-CG 4Å
7F97.2Very high93.5Very high108 Ų10853.9 Ų53.947%0.47431%0.313SS..Hα-helixtrans-65.2-38.9-178.5-76.2-65.9000112.1A3 A10 F11A3-F7 HydrophobicContact CB-CD2 4.43Å; A3-F7 HydrophobicContact CB-CE2 4.47Å; A3-F7 WeakPolarHBondContact O-CD2 3.44Å; A3-F7 PolarHBondContact O-N 3.08Å; F7-A10 PolarHBondContact O-N 3.38Å; F7-F11 HydrophobicContact CB-CD2 4.49Å; F7-F11 HydrophobicContact CB-CE2 4.18Å; F7-F11 HydrophobicContact CD1-CE2 4.43Å; F7-F11 HydrophobicContact CD1-CZ 4.24Å; F7-F11 WeakPolarHBondContact O-CB 3.35Å; F7-F11 WeakPolarHBondContact O-CD2 3.14Å; F7-F11 VanDerWaalsContact O-CG 3.27Å; F7-F11 WeakPolarHBondContact O-CG 3.38Å; F7-F11 PolarHBondContact O-N 3.39Å
8G97Very high93.7Very high32 Ų3256.4 Ų56.433%0.3332%0.324SS..Hα-helixtrans-59.3-50.1174.900000112A4 V5 F6 F11 I12A4-G8 PolarHBondContact O-N 3.21Å; V5-G8 PolarHBondContact O-N 3.45Å; F6-G8 VanDerWaalsContact C-N 3.35Å; F6-G8 PolarHBondContact O-N 3.17Å; G8-F11 PolarHBondContact O-N 2.9Å; G8-I12 WeakPolarHBondContact O-CD1 3.07Å; G8-I12 VanDerWaalsContact O-CG1 3.25Å; G8-I12 WeakPolarHBondContact O-CG1 3.43Å; G8-I12 PolarHBondContact O-N 3.09Å
9C97.4Very high93.9Very high5 Ų555.6 Ų55.63%0.03433%0.325CS..Hα-helixtrans-66.6-39.6178.5-67.10000112.3V5 F6 I12 A13 F133 L137 A160V5-C9 VanDerWaalsContact O-CB 3.28Å; V5-C9 WeakPolarHBondContact O-CB 3.3Å; V5-C9 PolarHBondContact O-N 2.93Å; V5-C9 PolarHBondContact O-SG 3.18Å; F6-C9 PolarHBondContact O-N 3.32Å; C9-I12 PolarHBondContact O-N 3.34Å; C9-A13 WeakPolarHBondContact O-CB 3.38Å; C9-A13 PolarHBondContact O-N 3.4Å; C9-F133 HydrophobicContact CB-CE1 4.08Å; C9-F133 HydrophobicContact CB-CZ 3.9Å; C9-L137 HydrophobicContact CB-CD1 3.66Å; C9-A160 HydrophobicContact CB-CB 3.9Å; C9-A160 WeakPolarHBondContact O-CB 2.98Å
10A98.1Very high94.1Very high16 Ų1655.3 Ų55.313%0.13232%0.321CS..Hα-helixtrans-60.8-46176.500000111.6F6 F7 A13 F14 L137F6-A10 VanDerWaalsContact O-CB 3.25Å; F6-A10 WeakPolarHBondContact O-CB 3.35Å; F6-A10 PolarHBondContact O-N 3.48Å; F7-A10 PolarHBondContact O-N 3.38Å; A10-A13 PolarHBondContact O-N 3.44Å; A10-F14 WeakPolarHBondContact O-CB 3.45Å; A10-F14 PolarHBondContact O-N 3.15Å; A10-L137 HydrophobicContact CB-CD1 4.41Å; A10-L137 HydrophobicContact CB-CD2 3.87Å
11F98.2Very high94.3Very high131 Ų13156.5 Ų56.558%0.57532%0.321SS*.Hα-helixtrans-71.7-32.6178.9-65.7-34.5000113.1F7 G8 G15F7-F11 HydrophobicContact CB-CD2 4.49Å; F7-F11 HydrophobicContact CB-CE2 4.18Å; F7-F11 HydrophobicContact CD1-CE2 4.43Å; F7-F11 HydrophobicContact CD1-CZ 4.24Å; F7-F11 WeakPolarHBondContact O-CB 3.35Å; F7-F11 WeakPolarHBondContact O-CD2 3.14Å; F7-F11 VanDerWaalsContact O-CG 3.27Å; F7-F11 WeakPolarHBondContact O-CG 3.38Å; F7-F11 PolarHBondContact O-N 3.39Å; G8-F11 PolarHBondContact O-N 2.9Å; F11-G15 WeakPolarHBondContact O-CA 3.39Å; F11-G15 PolarHBondContact O-N 2.92Å
12I98.4Very high96.2Very high41 Ų4150.5 Ų50.521%0.2130%0.296CS..Hα-helixtrans-63-52.6171-71.1165.4000110G8 C9 L157 A160 F161 L164G8-I12 WeakPolarHBondContact O-CD1 3.07Å; G8-I12 VanDerWaalsContact O-CG1 3.25Å; G8-I12 WeakPolarHBondContact O-CG1 3.43Å; G8-I12 PolarHBondContact O-N 3.09Å; C9-I12 PolarHBondContact O-N 3.34Å; I12-L157 HydrophobicContact CD1-CD1 3.55Å; I12-A160 HydrophobicContact CB-CB 4.09Å; I12-A160 HydrophobicContact CG2-CB 3.87Å; I12-F161 HydrophobicContact CD1-CE2 4.18Å; I12-F161 HydrophobicContact CD1-CZ 4.08Å; I12-F161 HydrophobicContact CG1-CZ 4.49Å; I12-F161 HydrophobicContact CG2-CB 4.48Å; I12-F161 HydrophobicContact CG2-CD1 3.49Å; I12-F161 VanDerWaalsContact CG2-CD1 3.49Å; I12-F161 HydrophobicContact CG2-CD2 4.28Å; I12-F161 HydrophobicContact CG2-CE1 3.7Å; I12-F161 HydrophobicContact CG2-CE2 4.43Å; I12-F161 HydrophobicContact CG2-CG 3.82Å; I12-F161 HydrophobicContact CG2-CZ 4.16Å; I12-L164 WeakPolarHBondContact O-CB 3.47Å
13A98.3Very high96.9Very high0 Ų055.8 Ų55.80%032%0.315CS..Hα-helixtrans-67.1-50.9-174.900000112.5C9 A10 F133 A160 T163 I167C9-A13 WeakPolarHBondContact O-CB 3.38Å; C9-A13 PolarHBondContact O-N 3.4Å; A10-A13 PolarHBondContact O-N 3.44Å; A13-F133 HydrophobicContact CB-CD1 3.7Å; A13-F133 HydrophobicContact CB-CE1 3.87Å; A13-A160 WeakPolarHBondContact CA-O 3.32Å; A13-A160 HydrophobicContact CB-CB 4.35Å; A13-T163 HydrophobicContact CB-CG2 3.85Å; A13-I167 WeakPolarHBondContact O-CD1 3.48Å
14F98.4Very high97Very high40 Ų4055.4 Ų55.418%0.17531%0.308CS..Hα-helixtrans-110.4-8.8-168.5-60-75.1000114.2A10 A17 L18 V130 F133 V134 L137 T163 I167A10-F14 WeakPolarHBondContact O-CB 3.45Å; A10-F14 PolarHBondContact O-N 3.15Å; F14-A17 WeakPolarHBondContact O-CB 3.44Å; F14-A17 PolarHBondContact O-N 3.03Å; F14-L18 WeakPolarHBondContact O-CB 3.45Å; F14-L18 PolarHBondContact O-N 3.33Å; F14-V130 HydrophobicContact CE1-CG2 3.96Å; F14-V130 HydrophobicContact CZ-CG2 4.31Å; F14-F133 HydrophobicContact CE2-CD1 4.16Å; F14-V134 HydrophobicContact CE2-CG2 4.38Å; F14-V134 HydrophobicContact CZ-CG2 4.12Å; F14-L137 HydrophobicContact CE2-CD2 4.36Å; F14-T163 HydrophobicContact CE1-CG2 4.45Å; F14-T163 HydrophobicContact CZ-CG2 4.28Å; F14-I167 HydrophobicContact CD1-CD1 3.84Å; F14-I167 HydrophobicContact CE1-CD1 3.97Å
15G98.4Very high97.1Very high23 Ų2351.9 Ų51.924%0.23728%0.278CS..Hα-helixtrans-56.8-50.9-178.100000113F11 A17 L18 A19F11-G15 WeakPolarHBondContact O-CA 3.39Å; F11-G15 PolarHBondContact O-N 2.92Å; G15-A17 VanDerWaalsContact C-N 3.33Å; G15-A17 PolarHBondContact O-N 2.83Å; G15-L18 PolarHBondContact O-N 3.48Å; G15-A19 PolarHBondContact O-N 3.08Å
16P98.1Very high97.1Very high48 Ų4852 Ų5231%0.31228%0.284SS..Hα-helixtrans-61.7-38.6175.6-31.342.9000113.1A19 L20 L164 L168P16-A19 PolarHBondContact O-N 3.23Å; P16-L20 WeakPolarHBondContact O-CB 3.42Å; P16-L20 VanDerWaalsContact O-CG 3.24Å; P16-L20 WeakPolarHBondContact O-CG 3.37Å; P16-L20 PolarHBondContact O-N 2.93Å; P16-L164 HydrophobicContact CB-CD1 3.82Å; P16-L164 HydrophobicContact CG-CD1 3.47Å; P16-L164 VanDerWaalsContact CG-CD1 3.47Å; P16-L168 HydrophobicContact CB-CD2 4.35Å
17A97.9Very high96.8Very high3 Ų354.4 Ų54.43%0.02530%0.303CS..Hα-helixtrans-64.5-41.9176.600000112.1F14 G15 L20 Y21 L122 I126 I167F14-A17 WeakPolarHBondContact O-CB 3.44Å; F14-A17 PolarHBondContact O-N 3.03Å; G15-A17 VanDerWaalsContact C-N 3.33Å; G15-A17 PolarHBondContact O-N 2.83Å; A17-L20 PolarHBondContact O-N 3.01Å; A17-Y21 WeakPolarHBondContact O-CB 3.34Å; A17-Y21 PolarHBondContact O-N 3.23Å; A17-L122 HydrophobicContact CB-CD1 4.37Å; A17-I126 HydrophobicContact CB-CG1 3.99Å; A17-I167 HydrophobicContact CB-CG2 3.86Å
18L97.9Very high96.5Very high99 Ų9951.1 Ų51.152%0.51829%0.291SS..Hα-helixtrans-64.4-44.1175.7179.963.6000111.1F14 G15 Y21 V22F14-L18 WeakPolarHBondContact O-CB 3.45Å; F14-L18 PolarHBondContact O-N 3.33Å; G15-L18 PolarHBondContact O-N 3.48Å; L18-Y21 PolarHBondContact O-N 3.43Å; L18-V22 HydrophobicContact CD1-CG2 4.02Å; L18-V22 HydrophobicContact CG-CG2 4.36Å; L18-V22 WeakPolarHBondContact O-CB 3.38Å; L18-V22 VanDerWaalsContact O-CG2 3.32Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 3.31Å
19A98.1Very high96.3Very high40 Ų4054.1 Ų54.133%0.33130%0.304SS..Hα-helixtrans-60.4-47.8175.800000111.1G15 P16 Y21 V22 F23G15-A19 PolarHBondContact O-N 3.08Å; P16-A19 PolarHBondContact O-N 3.23Å; A19-Y21 VanDerWaalsContact C-N 3.33Å; A19-Y21 PolarHBondContact O-N 2.98Å; A19-V22 PolarHBondContact O-N 2.98Å; A19-F23 HydrophobicContact CB-CD2 4.24Å; A19-F23 HydrophobicContact CB-CE2 4.33Å; A19-F23 WeakPolarHBondContact O-CB 3.36Å; A19-F23 WeakPolarHBondContact O-CD2 3.41Å; A19-F23 PolarHBondContact O-N 3.32Å
20L97.4Very high95.9Very high49 Ų4956.9 Ų56.926%0.25732%0.318SS..Hα-helixtrans-57.5-45.9175.1-73.3177.7000111.4P16 A17 T24 Y118 L122 L168P16-L20 WeakPolarHBondContact O-CB 3.42Å; P16-L20 VanDerWaalsContact O-CG 3.24Å; P16-L20 WeakPolarHBondContact O-CG 3.37Å; P16-L20 PolarHBondContact O-N 2.93Å; A17-L20 PolarHBondContact O-N 3.01Å; L20-T24 WeakPolarHBondContact O-CB 3.21Å; L20-T24 PolarHBondContact O-N 3.28Å; L20-T24 PolarHBondContact O-OG1 3.32Å; L20-Y118 VanDerWaalsContact CB-OH 3.26Å; L20-Y118 WeakPolarHBondContact CB-OH 3.26Å; L20-Y118 HydrophobicContact CD1-CE2 4.43Å; L20-Y118 HydrophobicContact CD2-CE2 4.24Å; L20-Y118 VanDerWaalsContact CD2-OH 3.24Å; L20-Y118 WeakPolarHBondContact CD2-OH 3.49Å; L20-L122 HydrophobicContact CB-CD1 4.28Å; L20-L122 HydrophobicContact CB-CD2 3.98Å; L20-L122 HydrophobicContact CD1-CD1 4.12Å; L20-L168 HydrophobicContact CD1-CD2 4.08Å
21Y97.2Very high95.7Very high81 Ų8159.1 Ų59.132%0.31832%0.324SS..Iπ-helixtrans-59.8-54.2176.3175.5-99.3000112.6A17 L18 A19 F23 I25 A26 L35A17-Y21 WeakPolarHBondContact O-CB 3.34Å; A17-Y21 PolarHBondContact O-N 3.23Å; L18-Y21 PolarHBondContact O-N 3.43Å; A19-Y21 VanDerWaalsContact C-N 3.33Å; A19-Y21 PolarHBondContact O-N 2.98Å; Y21-F23 PolarHBondContact O-N 2.81Å; Y21-I25 HydrophobicContact CD2-CB 3.87Å; Y21-I25 HydrophobicContact CD2-CG1 4.4Å; Y21-I25 HydrophobicContact CD2-CG2 3.95Å; Y21-I25 HydrophobicContact CE2-CB 4.32Å; Y21-I25 HydrophobicContact CE2-CG2 4.01Å; Y21-I25 WeakPolarHBondContact O-CA 3.41Å; Y21-I25 WeakPolarHBondContact O-CB 3.42Å; Y21-I25 PolarHBondContact O-N 3Å; Y21-A26 HydrophobicContact CE1-CB 4.21Å; Y21-A26 PolarHBondContact O-N 2.99Å; Y21-L35 HydrophobicContact CD2-CD1 4.19Å
22V97.8Very high95.7Very high72 Ų7254.4 Ų54.444%0.43631%0.305SS..Iπ-helixtrans-62.9-45.9-175.21710000111.4L18 A19L18-V22 HydrophobicContact CD1-CG2 4.02Å; L18-V22 HydrophobicContact CG-CG2 4.36Å; L18-V22 WeakPolarHBondContact O-CB 3.38Å; L18-V22 VanDerWaalsContact O-CG2 3.32Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 3.31Å; A19-V22 PolarHBondContact O-N 2.98Å
23F95.2Very high95.5Very high161 Ų16157.2 Ų57.271%0.70632%0.32SS*.Iπ-helixtrans-84.2-21.8-173.1-66.6-60000114.4A19 Y21A19-F23 HydrophobicContact CB-CD2 4.24Å; A19-F23 HydrophobicContact CB-CE2 4.33Å; A19-F23 WeakPolarHBondContact O-CB 3.36Å; A19-F23 WeakPolarHBondContact O-CD2 3.41Å; A19-F23 PolarHBondContact O-N 3.32Å; Y21-F23 PolarHBondContact O-N 2.81Å
24T94.1Very high95.4Very high40 Ų4058.3 Ų58.325%0.24532%0.324CS..Iπ-helixtrans-124-28-172.376.80000114.9L20 R31 Y118L20-T24 WeakPolarHBondContact O-CB 3.21Å; L20-T24 PolarHBondContact O-N 3.28Å; L20-T24 PolarHBondContact O-OG1 3.32Å; T24-R31 WeakPolarHBondContact O-CD 3.39Å; T24-R31 PolarHBondContact O-NH1 2.86Å; T24-Y118 VanDerWaalsContact OG1-CE1 3.26Å; T24-Y118 WeakPolarHBondContact OG1-CE1 3.48Å; T24-Y118 PolarHBondContact OG1-OH 3.47Å
25I94.3Very high95.4Very high0 Ų057.1 Ų57.10%032%0.32CS..Iπ-helixtrans-101-47.7-174.4-52.8-58.6000110.9Y21 T27 D28 R31 V32 L35 Y118 V119 L122Y21-I25 HydrophobicContact CD2-CB 3.87Å; Y21-I25 HydrophobicContact CD2-CG1 4.4Å; Y21-I25 HydrophobicContact CD2-CG2 3.95Å; Y21-I25 HydrophobicContact CE2-CB 4.32Å; Y21-I25 HydrophobicContact CE2-CG2 4.01Å; Y21-I25 WeakPolarHBondContact O-CA 3.41Å; Y21-I25 WeakPolarHBondContact O-CB 3.42Å; Y21-I25 PolarHBondContact O-N 3Å; I25-T27 PolarHBondContact O-N 3.43Å; I25-D28 PolarHBondContact O-N 3.32Å; I25-D28 VanDerWaalsContact O-N 3.15Å; I25-D28 VanDerWaalsContact O-O 3.12Å; I25-R31 HydrophobicContact CD1-CB 4.34Å; I25-R31 HydrophobicContact CG2-CB 3.88Å; I25-V32 HydrophobicContact CG2-CG2 3.94Å; I25-L35 HydrophobicContact CG1-CD1 4.04Å; I25-L35 HydrophobicContact CG2-CB 4.36Å; I25-L35 HydrophobicContact CG2-CD1 4.06Å; I25-Y118 HydrophobicContact CD1-CD1 4.34Å; I25-Y118 HydrophobicContact CD1-CE1 3.75Å; I25-V119 HydrophobicContact CD1-CB 4.21Å; I25-V119 HydrophobicContact CD1-CG1 4.2Å; I25-V119 HydrophobicContact CD1-CG2 3.45Å; I25-V119 VanDerWaalsContact CD1-CG2 3.45Å; I25-L122 HydrophobicContact CD1-CD2 4.34Å; I25-L122 HydrophobicContact CG1-CD2 3.86Å
26A94.3Very high95.3Very high53 Ų5361 Ų6144%0.43833%0.334SS..THydrogen-bonded Turntrans-63-16.8-171.600000114.3Y21 D28Y21-A26 HydrophobicContact CE1-CB 4.21Å; Y21-A26 PolarHBondContact O-N 2.99Å; A26-D28 VanDerWaalsContact C-N 3.28Å; A26-D28 PolarHBondContact O-N 3.39Å
27T90.1Very high95.3Very high101 Ų10160.1 Ų60.162%0.6233%0.331SS*.THydrogen-bonded Turntrans-73.2-17.3178.659.10000113.8I25I25-T27 PolarHBondContact O-N 3.43Å
28D89.7Confident95.3Very high38 Ų3860 Ų6020%0.20333%0.33CS..  trans-140.7116.9-171.9176.7-10.6000110.3I25 A26 L30 R31 V32I25-D28 PolarHBondContact O-N 3.32Å; I25-D28 VanDerWaalsContact O-N 3.15Å; I25-D28 VanDerWaalsContact O-O 3.12Å; A26-D28 VanDerWaalsContact C-N 3.28Å; A26-D28 PolarHBondContact O-N 3.39Å; D28-L30 PolarHBondContact O-N 3Å; D28-L30 WeakPolarHBondContact OD1-CB 3.43Å; D28-L30 PolarHBondContact OD1-N 2.87Å; D28-R31 HydrophobicContact CB-CB 4.41Å; D28-R31 HydrophobicContact CB-CG 3.87Å; D28-R31 WeakPolarHBondContact O-CB 3.42Å; D28-R31 PolarHBondContact O-N 3.06Å; D28-R31 VanDerWaalsContact O-N 3.08Å; D28-R31 IonicContact OD2-CZ 3.62Å; D28-R31 IonicContact OD2-NE 2.93Å; D28-R31 PolarHBondContact OD2-NE 2.97Å; D28-R31 IonicContact OD2-NH2 3.55Å; D28-V32 PolarHBondContact O-N 3.19Å
29P92.3Very high95.3Very high95 Ų9555.7 Ų55.762%0.61731%0.309SS*.Hα-helixtrans-62.6-29.4-175.226.2-34.5000113.1R31 V32 I33P29-R31 VanDerWaalsContact C-N 3.3Å; P29-R31 PolarHBondContact O-N 2.97Å; P29-V32 WeakPolarHBondContact O-CB 3.33Å; P29-V32 PolarHBondContact O-N 3.47Å; P29-I33 WeakPolarHBondContact O-CG1 3.31Å; P29-I33 PolarHBondContact O-N 2.79Å
30L90.8Very high95.4Very high63 Ų6359.5 Ų59.533%0.3332%0.318SS..Hα-helixtrans-64.3-38.3177-68.9176.2000111.1D28 V32 I33 F34D28-L30 PolarHBondContact O-N 3Å; D28-L30 WeakPolarHBondContact OD1-CB 3.43Å; D28-L30 PolarHBondContact OD1-N 2.87Å; L30-V32 VanDerWaalsContact C-N 3.32Å; L30-V32 PolarHBondContact O-N 2.98Å; L30-I33 PolarHBondContact O-N 3.41Å; L30-F34 HydrophobicContact CB-CE2 4.23Å; L30-F34 WeakPolarHBondContact O-CD2 3.35Å; L30-F34 WeakPolarHBondContact O-CG 3.47Å; L30-F34 PolarHBondContact O-N 3.39Å
31R93.9Very high95.4Very high64 Ų6459.1 Ų59.124%0.24231%0.314CS..Hα-helixtrans-65.6-38.4176.5-58.8176.7-156.9-178.6-1.5111.1T24 I25 D28 P29 F34 L35 L115 V119T24-R31 WeakPolarHBondContact O-CD 3.39Å; T24-R31 PolarHBondContact O-NH1 2.86Å; I25-R31 HydrophobicContact CD1-CB 4.34Å; I25-R31 HydrophobicContact CG2-CB 3.88Å; D28-R31 HydrophobicContact CB-CB 4.41Å; D28-R31 HydrophobicContact CB-CG 3.87Å; D28-R31 WeakPolarHBondContact O-CB 3.42Å; D28-R31 PolarHBondContact O-N 3.06Å; D28-R31 VanDerWaalsContact O-N 3.08Å; D28-R31 IonicContact OD2-CZ 3.62Å; D28-R31 IonicContact OD2-NE 2.93Å; D28-R31 PolarHBondContact OD2-NE 2.97Å; D28-R31 IonicContact OD2-NH2 3.55Å; P29-R31 VanDerWaalsContact C-N 3.3Å; P29-R31 PolarHBondContact O-N 2.97Å; R31-F34 PolarHBondContact O-N 3.48Å; R31-L35 WeakPolarHBondContact O-CB 3.37Å; R31-L35 PolarHBondContact O-N 2.6Å; R31-L115 HydrophobicContact CG-CD2 4.42Å; R31-V119 HydrophobicContact CB-CG2 4.24Å; R31-V119 HydrophobicContact CG-CG2 4.4Å; R31-V119 WeakPolarHBondContact O-CG1 3.41Å
32V96.6Very high95.5Very high32 Ų3255.7 Ų55.719%0.19430%0.301CS..Hα-helixtrans-62.6-46175.1-179.80000110.6I25 D28 P29 L30 F34 L35 I36I25-V32 HydrophobicContact CG2-CG2 3.94Å; D28-V32 PolarHBondContact O-N 3.19Å; P29-V32 WeakPolarHBondContact O-CB 3.33Å; P29-V32 PolarHBondContact O-N 3.47Å; L30-V32 VanDerWaalsContact C-N 3.32Å; L30-V32 PolarHBondContact O-N 2.98Å; V32-F34 PolarHBondContact O-N 2.88Å; V32-L35 WeakPolarHBondContact O-CB 3.24Å; V32-L35 PolarHBondContact O-N 3.47Å; V32-I36 HydrophobicContact CG1-CD1 3.91Å; V32-I36 WeakPolarHBondContact O-CG1 3.35Å; V32-I36 PolarHBondContact O-N 3.01Å
33I95.6Very high95.5Very high100 Ų10054.9 Ų54.951%0.51329%0.294SS..Hα-helixtrans-59.7-47.9178.2-67164.7000110.7P29 L30 L35 I36 A37P29-I33 WeakPolarHBondContact O-CG1 3.31Å; P29-I33 PolarHBondContact O-N 2.79Å; L30-I33 PolarHBondContact O-N 3.41Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.01Å; I33-I36 PolarHBondContact O-N 3.49Å; I33-A37 WeakPolarHBondContact O-CB 3.49Å; I33-A37 PolarHBondContact O-N 3.44Å
34F95.2Very high95.7Very high22 Ų2249 Ų4910%0.09627%0.271CS..Hα-helixtrans-67.7-29.5177.8-63.3-44.9000113.1L30 R31 V32 G38 Y90 L94 L101 P111 L116 V119L30-F34 HydrophobicContact CB-CE2 4.23Å; L30-F34 WeakPolarHBondContact O-CD2 3.35Å; L30-F34 WeakPolarHBondContact O-CG 3.47Å; L30-F34 PolarHBondContact O-N 3.39Å; R31-F34 PolarHBondContact O-N 3.48Å; V32-F34 PolarHBondContact O-N 2.88Å; F34-G38 PolarHBondContact O-N 3.22Å; F34-Y90 WeakPolarHBondContact CA-OH 3.22Å; F34-Y90 PolarHBondContact O-OH 3.21Å; F34-L94 HydrophobicContact CB-CD2 4.31Å; F34-L94 HydrophobicContact CD1-CD2 3.37Å; F34-L94 HydrophobicContact CE1-CD2 3.75Å; F34-L94 HydrophobicContact CG-CD2 3.87Å; F34-L101 HydrophobicContact CZ-CD1 4.24Å; F34-P111 HydrophobicContact CE2-CG 4.2Å; F34-L116 HydrophobicContact CD2-CD2 3.36Å; F34-L116 HydrophobicContact CE2-CD2 3.6Å; F34-L116 HydrophobicContact CG-CD2 4.06Å; F34-L116 HydrophobicContact CZ-CD2 4.45Å; F34-V119 HydrophobicContact CB-CG1 4.01Å
35L97.9Very high95.9Very high15 Ų1547 Ų478%0.07926%0.259CS..Hα-helixtrans-66.2-48.8173.4-175.3142.3000110.9Y21 I25 R31 V32 I33 A37 G38 A39 V119 L122 I126Y21-L35 HydrophobicContact CD2-CD1 4.19Å; I25-L35 HydrophobicContact CG1-CD1 4.04Å; I25-L35 HydrophobicContact CG2-CB 4.36Å; I25-L35 HydrophobicContact CG2-CD1 4.06Å; R31-L35 WeakPolarHBondContact O-CB 3.37Å; R31-L35 PolarHBondContact O-N 2.6Å; V32-L35 WeakPolarHBondContact O-CB 3.24Å; V32-L35 PolarHBondContact O-N 3.47Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.01Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 3.35Å; L35-G38 PolarHBondContact O-N 3.14Å; L35-A39 PolarHBondContact O-N 3.01Å; L35-V119 HydrophobicContact CB-CG1 3.76Å; L35-L122 HydrophobicContact CD1-CB 4.37Å; L35-L122 HydrophobicContact CD1-CD2 3.81Å; L35-L122 HydrophobicContact CD1-CG 3.98Å; L35-I126 HydrophobicContact CD1-CD1 4.32Å
36I98.1Very high96Very high104 Ų10449.2 Ų49.253%0.53327%0.27SS..Hα-helixtrans-62.9-43.5179.8-66.3170.4000110.4V32 I33 G38 A39 F40V32-I36 HydrophobicContact CG1-CD1 3.91Å; V32-I36 WeakPolarHBondContact O-CG1 3.35Å; V32-I36 PolarHBondContact O-N 3.01Å; I33-I36 PolarHBondContact O-N 3.49Å; I36-G38 VanDerWaalsContact C-N 3.32Å; I36-G38 PolarHBondContact O-N 2.93Å; I36-A39 PolarHBondContact O-N 3.28Å; I36-F40 WeakPolarHBondContact O-CB 3.41Å; I36-F40 PolarHBondContact O-N 2.89Å
37A97.8Very high96.2Very high30 Ų3051.6 Ų51.625%0.24828%0.275CS..Hα-helixtrans-61.3-40.5175.300000111.8I33 L35 F40 F41 Y90I33-A37 WeakPolarHBondContact O-CB 3.49Å; I33-A37 PolarHBondContact O-N 3.44Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 3.35Å; A37-F40 WeakPolarHBondContact O-CB 3.47Å; A37-F40 PolarHBondContact O-N 2.84Å; A37-F41 VanDerWaalsContact O-CD2 3.3Å; A37-F41 WeakPolarHBondContact O-CD2 3.38Å; A37-F41 PolarHBondContact O-N 3.36Å; A37-Y90 HydrophobicContact CB-CE2 3.93Å; A37-Y90 WeakPolarHBondContact CB-OH 3.25Å
38G97.8Very high96.6Very high0 Ų049.9 Ų49.90%026%0.261CS..Hα-helixtrans-61.1-46.2174.100000112.7F34 L35 I36 F40 F41 W42 Y90 F124F34-G38 PolarHBondContact O-N 3.22Å; L35-G38 PolarHBondContact O-N 3.14Å; I36-G38 VanDerWaalsContact C-N 3.32Å; I36-G38 PolarHBondContact O-N 2.93Å; G38-F40 VanDerWaalsContact C-N 3.31Å; G38-F40 PolarHBondContact O-N 2.59Å; G38-F41 PolarHBondContact O-N 3.41Å; G38-W42 PolarHBondContact O-N 3.43Å; G38-Y90 VanDerWaalsContact CA-CE1 3.41Å; G38-Y90 PolarHBondContact N-OH 3.31Å; G38-F124 VanDerWaalsContact O-CD2 3.3Å; G38-F124 WeakPolarHBondContact O-CD2 3.24Å; G38-F124 WeakPolarHBondContact O-CE2 3.26Å
39A98.4Very high97Very high9 Ų948.3 Ų48.37%0.07425%0.254CS..Hα-helixtrans-60-40.3175.100000112.2L35 I36 W42 L43 M127L35-A39 PolarHBondContact O-N 3.01Å; I36-A39 PolarHBondContact O-N 3.28Å; A39-W42 WeakPolarHBondContact O-CB 3.34Å; A39-W42 PolarHBondContact O-N 2.85Å; A39-L43 WeakPolarHBondContact O-CG 3.3Å; A39-L43 PolarHBondContact O-N 3.3Å; A39-M127 HydrophobicContact CB-CB 4.02Å; A39-M127 HydrophobicContact CB-CE 3.82Å
40F98.3Very high97.2Very high121 Ų12146.5 Ų46.553%0.53124%0.243SC..Hα-helixtrans-63-45174.6176.1-101.3000112.3I36 A37 G38 W42 L43 V44I36-F40 WeakPolarHBondContact O-CB 3.41Å; I36-F40 PolarHBondContact O-N 2.89Å; A37-F40 WeakPolarHBondContact O-CB 3.47Å; A37-F40 PolarHBondContact O-N 2.84Å; G38-F40 VanDerWaalsContact C-N 3.31Å; G38-F40 PolarHBondContact O-N 2.59Å; F40-W42 VanDerWaalsContact C-N 3.26Å; F40-W42 PolarHBondContact O-N 3.26Å; F40-L43 WeakPolarHBondContact O-CB 3.17Å; F40-L43 PolarHBondContact O-N 3.42Å; F40-L43 VanDerWaalsContact O-N 3.08Å; F40-V44 HydrophobicContact CD1-CG2 4.19Å; F40-V44 HydrophobicContact CD2-CG2 4.48Å; F40-V44 HydrophobicContact CE1-CG2 3.7Å; F40-V44 HydrophobicContact CE2-CG2 4.03Å; F40-V44 HydrophobicContact CZ-CG2 3.62Å; F40-V44 WeakPolarHBondContact O-CG2 3.44Å; F40-V44 PolarHBondContact O-N 3.43Å
41F98.4Very high97.4Very high41 Ų4148.1 Ų48.118%0.1825%0.251CS..Hα-helixtrans-60.4-37.4175.8-92.1-108.2000112A37 G38 V44 S45 F86 A89 Y90 L93 F124A37-F41 VanDerWaalsContact O-CD2 3.3Å; A37-F41 WeakPolarHBondContact O-CD2 3.38Å; A37-F41 PolarHBondContact O-N 3.36Å; G38-F41 PolarHBondContact O-N 3.41Å; F41-V44 PolarHBondContact O-N 3.06Å; F41-S45 WeakPolarHBondContact O-CB 3.41Å; F41-S45 PolarHBondContact O-N 2.86Å; F41-F86 HydrophobicContact CB-CD1 4.46Å; F41-F86 AromaticContact CD1-CD1 3.82Å; F41-F86 HydrophobicContact CD1-CD1 3.82Å; F41-F86 HydrophobicContact CD1-CE1 4.49Å; F41-F86 HydrophobicContact CG-CD1 4.5Å; F41-F86 WeakPolarHBondContact O-CD1 3.45Å; F41-A89 HydrophobicContact CE1-CB 4.39Å; F41-Y90 HydrophobicContact CB-CG 4.45Å; F41-Y90 HydrophobicContact CD1-CD2 4.22Å; F41-Y90 HydrophobicContact CD1-CG 4.29Å; F41-Y90 AromaticContact CD2-CD2 3.73Å; F41-Y90 HydrophobicContact CD2-CD2 3.73Å; F41-Y90 HydrophobicContact CD2-CE2 4.24Å; F41-Y90 HydrophobicContact CD2-CG 4.35Å; F41-Y90 HydrophobicContact CE1-CD2 4.32Å; F41-Y90 AromaticContact CE2-CD2 3.83Å; F41-Y90 HydrophobicContact CE2-CD2 3.83Å; F41-Y90 HydrophobicContact CE2-CE2 4.34Å; F41-Y90 AromaticContact CG-CD2 3.93Å; F41-Y90 HydrophobicContact CG-CD2 3.93Å; F41-Y90 HydrophobicContact CG-CG 4.11Å; F41-Y90 HydrophobicContact CZ-CD2 4.14Å; F41-L93 HydrophobicContact CE2-CD1 4.16Å; F41-L93 HydrophobicContact CZ-CD1 3.72Å; F41-F124 HydrophobicContact CB-CE2 4.15Å; F41-F124 HydrophobicContact CB-CZ 4.2Å
42W98.6Very high97.5Very high9 Ų947.8 Ų47.83%0.03426%0.256CS..Hα-helixtrans-62.5-44.3172.4-173.390.6000111.7G38 A39 F40 V44 S45 L46 F124 M127 F131G38-W42 PolarHBondContact O-N 3.43Å; A39-W42 WeakPolarHBondContact O-CB 3.34Å; A39-W42 PolarHBondContact O-N 2.85Å; F40-W42 VanDerWaalsContact C-N 3.26Å; F40-W42 PolarHBondContact O-N 3.26Å; W42-V44 PolarHBondContact O-N 2.97Å; W42-S45 WeakPolarHBondContact O-CB 3.2Å; W42-S45 PolarHBondContact O-N 3.03Å; W42-S45 PolarHBondContact O-OG 2.94Å; W42-L46 HydrophobicContact CH2-CB 4.49Å; W42-L46 HydrophobicContact CH2-CD2 3.67Å; W42-L46 HydrophobicContact CH2-CG 4.48Å; W42-L46 HydrophobicContact CZ3-CB 4.34Å; W42-L46 HydrophobicContact CZ3-CD2 3.78Å; W42-L46 PolarHBondContact O-N 3.07Å; W42-F124 HydrophobicContact CB-CD1 4.13Å; W42-F124 HydrophobicContact CB-CD2 4.31Å; W42-F124 HydrophobicContact CB-CE1 4.29Å; W42-F124 HydrophobicContact CB-CE2 4.48Å; W42-F124 HydrophobicContact CB-CG 4.12Å; W42-F124 HydrophobicContact CB-CZ 4.47Å; W42-F124 AromaticContact CD1-CD1 3.57Å; W42-F124 HydrophobicContact CG-CD1 4.25Å; W42-F124 HydrophobicContact CG-CG 4.46Å; W42-M127 HydrophobicContact CD2-CB 4.22Å; W42-M127 HydrophobicContact CD2-CG 4.16Å; W42-M127 HydrophobicContact CE3-CB 3.82Å; W42-M127 HydrophobicContact CE3-CG 3.28Å; W42-M127 HydrophobicContact CZ3-CB 4.41Å; W42-M127 HydrophobicContact CZ3-CG 3.7Å; W42-F131 HydrophobicContact CH2-CB 3.55Å; W42-F131 HydrophobicContact CH2-CD1 4.34Å; W42-F131 HydrophobicContact CH2-CD2 4.27Å; W42-F131 AromaticContact CH2-CG 3.79Å; W42-F131 HydrophobicContact CH2-CG 3.79Å; W42-F131 HydrophobicContact CZ3-CB 3.88Å; W42-F131 HydrophobicContact CZ3-CD1 4.29Å; W42-F131 AromaticContact CZ3-CD2 3.69Å; W42-F131 HydrophobicContact CZ3-CD2 3.69Å; W42-F131 HydrophobicContact CZ3-CE2 4.35Å; W42-F131 AromaticContact CZ3-CG 3.67Å; W42-F131 HydrophobicContact CZ3-CG 3.67Å
43L98.4Very high97.4Very high54 Ų5449.7 Ų49.728%0.28326%0.26SS..Hα-helixtrans-60.4-44.8176.2-70.8173.7000112.8A39 F40 S45 L46 L47 M127 F131A39-L43 WeakPolarHBondContact O-CG 3.3Å; A39-L43 PolarHBondContact O-N 3.3Å; F40-L43 WeakPolarHBondContact O-CB 3.17Å; F40-L43 PolarHBondContact O-N 3.42Å; F40-L43 VanDerWaalsContact O-N 3.08Å; L43-S45 VanDerWaalsContact C-N 3.27Å; L43-S45 PolarHBondContact O-N 3.14Å; L43-L46 PolarHBondContact O-N 3.34Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 PolarHBondContact O-N 2.9Å; L43-M127 HydrophobicContact CD1-CE 3.92Å; L43-M127 HydrophobicContact CD1-CG 4.44Å; L43-M127 HydrophobicContact CD1-SD 4.14Å; L43-M127 HydrophobicContact CD2-CG 3.67Å; L43-M127 HydrophobicContact CD2-SD 3.71Å; L43-M127 HydrophobicContact CG-CE 4.28Å; L43-M127 HydrophobicContact CG-CG 3.77Å; L43-M127 HydrophobicContact CG-SD 4.02Å; L43-F131 HydrophobicContact CD2-CD2 3.91Å; L43-F131 HydrophobicContact CD2-CE2 3.18Å; L43-F131 HydrophobicContact CD2-CZ 3.61Å
44V98.5Very high97.3Very high37 Ų3749.6 Ų49.622%0.22426%0.256CS..Hα-helixtrans-62.7-39.6177.5179.10000110.5F40 F41 W42 L46 L47 I48 F86F40-V44 HydrophobicContact CD1-CG2 4.19Å; F40-V44 HydrophobicContact CD2-CG2 4.48Å; F40-V44 HydrophobicContact CE1-CG2 3.7Å; F40-V44 HydrophobicContact CE2-CG2 4.03Å; F40-V44 HydrophobicContact CZ-CG2 3.62Å; F40-V44 WeakPolarHBondContact O-CG2 3.44Å; F40-V44 PolarHBondContact O-N 3.43Å; F41-V44 PolarHBondContact O-N 3.06Å; W42-V44 PolarHBondContact O-N 2.97Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 3.39Å; V44-L47 PolarHBondContact O-N 3.27Å; V44-I48 HydrophobicContact CG1-CD1 4.11Å; V44-I48 WeakPolarHBondContact O-CG1 3.35Å; V44-I48 PolarHBondContact O-N 2.82Å; V44-F86 HydrophobicContact CB-CD1 4.4Å; V44-F86 HydrophobicContact CB-CE1 3.83Å; V44-F86 HydrophobicContact CB-CZ 4.48Å; V44-F86 HydrophobicContact CG1-CD1 4.44Å; V44-F86 HydrophobicContact CG1-CE1 3.43Å; V44-F86 VanDerWaalsContact CG1-CE1 3.43Å; V44-F86 HydrophobicContact CG1-CZ 3.72Å
45S98.4Very high97.1Very high0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-60.8-41.7175.784.60000111.9F41 W42 L43 S49 I82 Q83 F86F41-S45 WeakPolarHBondContact O-CB 3.41Å; F41-S45 PolarHBondContact O-N 2.86Å; W42-S45 WeakPolarHBondContact O-CB 3.2Å; W42-S45 PolarHBondContact O-N 3.03Å; W42-S45 PolarHBondContact O-OG 2.94Å; L43-S45 VanDerWaalsContact C-N 3.27Å; L43-S45 PolarHBondContact O-N 3.14Å; S45-S49 WeakPolarHBondContact O-CB 3.44Å; S45-S49 PolarHBondContact O-N 3.41Å; S45-S49 PolarHBondContact O-OG 2.86Å; S45-I82 WeakPolarHBondContact O-CG2 3.36Å; S45-Q83 VanDerWaalsContact OG-CG 3.3Å; S45-Q83 WeakPolarHBondContact OG-CG 3.16Å; S45-F86 VanDerWaalsContact CB-CG 3.49Å
46L97.8Very high96.7Very high45 Ų4553.6 Ų53.624%0.23628%0.279CS..Hα-helixtrans-69.8-39.9177.4-173.369.2000111.7W42 L43 V44 I48 S49 S50 F131W42-L46 HydrophobicContact CH2-CB 4.49Å; W42-L46 HydrophobicContact CH2-CD2 3.67Å; W42-L46 HydrophobicContact CH2-CG 4.48Å; W42-L46 HydrophobicContact CZ3-CB 4.34Å; W42-L46 HydrophobicContact CZ3-CD2 3.78Å; W42-L46 PolarHBondContact O-N 3.07Å; L43-L46 PolarHBondContact O-N 3.34Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 3.39Å; L46-I48 PolarHBondContact O-N 2.94Å; L46-S49 WeakPolarHBondContact O-CB 3.48Å; L46-S49 PolarHBondContact O-N 3.43Å; L46-S50 WeakPolarHBondContact O-CB 3.47Å; L46-S50 PolarHBondContact O-N 3.26Å; L46-F131 HydrophobicContact CD2-CD1 3.33Å; L46-F131 HydrophobicContact CD2-CE1 3.46Å; L46-F131 VanDerWaalsContact CD2-CE1 3.46Å; L46-F131 HydrophobicContact CD2-CG 4.07Å; L46-F131 HydrophobicContact CD2-CZ 4.31Å
47L98.1Very high96.3Very high103 Ų10353.6 Ų53.654%0.53927%0.273SS..Hα-helixtrans-57.3-50.6176.1177.764.4000110.7L43 V44 S49 S50 L51L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 PolarHBondContact O-N 2.9Å; V44-L47 PolarHBondContact O-N 3.27Å; L47-S49 VanDerWaalsContact C-N 3.32Å; L47-S49 PolarHBondContact O-N 3.42Å; L47-S50 PolarHBondContact O-N 2.99Å; L47-S50 PolarHBondContact O-OG 2.85Å; L47-L51 WeakPolarHBondContact O-CG 3.5Å; L47-L51 PolarHBondContact O-N 3.28Å
48I98.2Very high95.8Very high65 Ų6556 Ų5633%0.33328%0.284SS..Hα-helixtrans-62.5-42177.5-64.6169.9000110.7V44 L46 S50 L51 V52 I82 F86V44-I48 HydrophobicContact CG1-CD1 4.11Å; V44-I48 WeakPolarHBondContact O-CG1 3.35Å; V44-I48 PolarHBondContact O-N 2.82Å; L46-I48 PolarHBondContact O-N 2.94Å; I48-S50 VanDerWaalsContact C-N 3.3Å; I48-S50 PolarHBondContact O-N 3.32Å; I48-L51 PolarHBondContact O-N 2.9Å; I48-V52 WeakPolarHBondContact O-CG2 3.41Å; I48-V52 PolarHBondContact O-N 3.15Å; I48-I82 HydrophobicContact CG2-CD1 4.27Å; I48-F86 HydrophobicContact CD1-CE2 3.67Å; I48-F86 HydrophobicContact CD1-CZ 3.4Å; I48-F86 VanDerWaalsContact CD1-CZ 3.4Å
49S97.6Very high95.4Very high6 Ų662.2 Ų62.24%0.04232%0.316CS..Hα-helixtrans-59.5-41.3176.4-55.10000112.2S45 L46 L47 V52 W53 S79 I82S45-S49 WeakPolarHBondContact O-CB 3.44Å; S45-S49 PolarHBondContact O-N 3.41Å; S45-S49 PolarHBondContact O-OG 2.86Å; L46-S49 WeakPolarHBondContact O-CB 3.48Å; L46-S49 PolarHBondContact O-N 3.43Å; L47-S49 VanDerWaalsContact C-N 3.32Å; L47-S49 PolarHBondContact O-N 3.42Å; S49-V52 PolarHBondContact O-N 2.89Å; S49-W53 PolarHBondContact O-N 2.92Å; S49-S79 VanDerWaalsContact OG-CA 3.32Å; S49-S79 WeakPolarHBondContact OG-CA 3.5Å; S49-I82 WeakPolarHBondContact OG-CD1 3.3Å
50S96.4Very high94.6Very high56 Ų5664.8 Ų64.839%0.39233%0.331SS..Hα-helixtrans-67-36.317875.50000112.3L46 L47 I48 W53 F54L46-S50 WeakPolarHBondContact O-CB 3.47Å; L46-S50 PolarHBondContact O-N 3.26Å; L47-S50 PolarHBondContact O-N 2.99Å; L47-S50 PolarHBondContact O-OG 2.85Å; I48-S50 VanDerWaalsContact C-N 3.3Å; I48-S50 PolarHBondContact O-N 3.32Å; S50-W53 PolarHBondContact O-N 3.38Å; S50-F54 VanDerWaalsContact O-CB 3.27Å; S50-F54 WeakPolarHBondContact O-CB 3.3Å; S50-F54 PolarHBondContact O-N 3.47Å
51L96.6Very high93.3Very high97 Ų9765 Ų6551%0.50834%0.337SS..Hα-helixtrans-64.8-43.8173.3-68.1172.8000111.2L47 I48 W53 F54 M55L47-L51 WeakPolarHBondContact O-CG 3.5Å; L47-L51 PolarHBondContact O-N 3.28Å; I48-L51 PolarHBondContact O-N 2.9Å; L51-W53 PolarHBondContact O-N 3.47Å; L51-F54 PolarHBondContact O-N 2.92Å; L51-M55 WeakPolarHBondContact O-CB 3.32Å; L51-M55 VanDerWaalsContact O-CG 3.32Å; L51-M55 WeakPolarHBondContact O-CG 3.39Å; L51-M55 PolarHBondContact O-N 3.28Å
52V95Very high91.7Very high57 Ų5768.4 Ų68.435%0.34536%0.358SS..Hα-helixtrans-61.2-46.1176.61750000110.8I48 S49 M55 A56 V78 I82I48-V52 WeakPolarHBondContact O-CG2 3.41Å; I48-V52 PolarHBondContact O-N 3.15Å; S49-V52 PolarHBondContact O-N 2.89Å; V52-M55 PolarHBondContact O-N 3.05Å; V52-A56 WeakPolarHBondContact O-CB 3.27Å; V52-A56 PolarHBondContact O-N 3.19Å; V52-V78 HydrophobicContact CB-CG1 4.45Å; V52-V78 HydrophobicContact CG1-CG1 3.98Å; V52-I82 HydrophobicContact CG2-CD1 4.44Å
53W94.4Very high89.8Confident73 Ų7375.9 Ų75.928%0.27739%0.39SS..Hα-helixtrans-62.8-42.7176.4-179.983.5000112.2S49 S50 L51 A56 R57 L71 L72S49-W53 PolarHBondContact O-N 2.92Å; S50-W53 PolarHBondContact O-N 3.38Å; L51-W53 PolarHBondContact O-N 3.47Å; W53-A56 PolarHBondContact O-N 3.09Å; W53-R57 WeakPolarHBondContact O-CB 3.34Å; W53-R57 PolarHBondContact O-N 2.9Å; W53-L71 PolarHBondContact NE1-O 3.34Å; W53-L72 HydrophobicContact CZ2-CD2 3.8Å
54F92.6Very high88.1Confident97 Ų9780.2 Ų80.243%0.42541%0.414SS..Hα-helixtrans-61.2-47177.5179.8-99.3000111.8S50 L51 A56 R57 V58S50-F54 VanDerWaalsContact O-CB 3.27Å; S50-F54 WeakPolarHBondContact O-CB 3.3Å; S50-F54 PolarHBondContact O-N 3.47Å; L51-F54 PolarHBondContact O-N 2.92Å; F54-A56 PolarHBondContact O-N 3.39Å; F54-R57 WeakPolarHBondContact O-CB 3.43Å; F54-R57 PolarHBondContact O-N 2.88Å; F54-V58 HydrophobicContact CD1-CG2 4.28Å; F54-V58 HydrophobicContact CE1-CG2 3.87Å; F54-V58 HydrophobicContact CE2-CG2 4.34Å; F54-V58 HydrophobicContact CZ-CG2 3.91Å; F54-V58 WeakPolarHBondContact O-CG2 3.31Å; F54-V58 PolarHBondContact O-N 2.96Å
55M92.3Very high86.6Confident102 Ų10280.2 Ų80.250%0.50242%0.422SS..Hα-helixtrans-61.5-43.9176.1-70.1-54.4-60.200111.7L51 V52 R57 V58 I59L51-M55 WeakPolarHBondContact O-CB 3.32Å; L51-M55 VanDerWaalsContact O-CG 3.32Å; L51-M55 WeakPolarHBondContact O-CG 3.39Å; L51-M55 PolarHBondContact O-N 3.28Å; V52-M55 PolarHBondContact O-N 3.05Å; M55-R57 VanDerWaalsContact C-N 3.27Å; M55-R57 PolarHBondContact O-N 2.94Å; M55-V58 PolarHBondContact O-N 3.25Å; M55-I59 WeakPolarHBondContact O-CD1 3.13Å; M55-I59 VanDerWaalsContact O-CG1 3.27Å; M55-I59 WeakPolarHBondContact O-CG1 3.36Å; M55-I59 PolarHBondContact O-N 3.42Å
56A90.1Very high85.3Confident19 Ų1984.8 Ų84.816%0.15745%0.451CS..Hα-helixtrans-60.7-38.5176.500000111.7V52 W53 F54 T60 L71 F74V52-A56 WeakPolarHBondContact O-CB 3.27Å; V52-A56 PolarHBondContact O-N 3.19Å; W53-A56 PolarHBondContact O-N 3.09Å; F54-A56 PolarHBondContact O-N 3.39Å; A56-T60 WeakPolarHBondContact O-CB 3.17Å; A56-T60 PolarHBondContact O-N 3.34Å; A56-T60 VanDerWaalsContact O-N 3.13Å; A56-T60 PolarHBondContact O-OG1 3.07Å; A56-L71 HydrophobicContact CB-CD1 3.91Å; A56-F74 HydrophobicContact CB-CE1 4.31Å
57R88.2Confident84.3Confident105 Ų10585.8 Ų85.840%0.39646%0.459SS..Hα-helixtrans-65.8-43.6175.4-167.8-91.4-89-173.7-6.7112.2W53 F54 M55 I59 T60 L71W53-R57 WeakPolarHBondContact O-CB 3.34Å; W53-R57 PolarHBondContact O-N 2.9Å; F54-R57 WeakPolarHBondContact O-CB 3.43Å; F54-R57 PolarHBondContact O-N 2.88Å; M55-R57 VanDerWaalsContact C-N 3.27Å; M55-R57 PolarHBondContact O-N 2.94Å; R57-I59 VanDerWaalsContact C-N 3.33Å; R57-I59 PolarHBondContact O-N 3.08Å; R57-T60 PolarHBondContact O-N 2.95Å; R57-L71 HydrophobicContact CB-CD2 3.71Å; R57-L71 HydrophobicContact CG-CD2 3.99Å
58V88.6Confident83.6Confident79 Ų7986.3 Ų86.348%0.47946%0.459SS..Hα-helixtrans-64.5-38.2179171.30000111.5F54 M55F54-V58 HydrophobicContact CD1-CG2 4.28Å; F54-V58 HydrophobicContact CE1-CG2 3.87Å; F54-V58 HydrophobicContact CE2-CG2 4.34Å; F54-V58 HydrophobicContact CZ-CG2 3.91Å; F54-V58 WeakPolarHBondContact O-CG2 3.31Å; F54-V58 PolarHBondContact O-N 2.96Å; M55-V58 PolarHBondContact O-N 3.25Å
59I87.8Confident82.9Confident131 Ų13189.9 Ų89.967%0.67247%0.472SS*.Hα-helixtrans-72.7-34.7-179.6-66.4164.7000112.2M55 R57 D61M55-I59 WeakPolarHBondContact O-CD1 3.13Å; M55-I59 VanDerWaalsContact O-CG1 3.27Å; M55-I59 WeakPolarHBondContact O-CG1 3.36Å; M55-I59 PolarHBondContact O-N 3.42Å; R57-I59 VanDerWaalsContact C-N 3.33Å; R57-I59 PolarHBondContact O-N 3.08Å; I59-D61 PolarHBondContact O-N 3.27Å
60T82.3Confident82.4Confident64 Ų6497.2 Ų97.239%0.39350%0.5SS..Hα-helixtrans-77.6-7-170.3-54.60000113.6A56 R57 T67A56-T60 WeakPolarHBondContact O-CB 3.17Å; A56-T60 PolarHBondContact O-N 3.34Å; A56-T60 VanDerWaalsContact O-N 3.13Å; A56-T60 PolarHBondContact O-OG1 3.07Å; R57-T60 PolarHBondContact O-N 2.95Å; T60-T67 HydrophobicContact CG2-CG2 3.81Å
61D72.1Confident82.1Confident124 Ų12495.6 Ų95.666%0.66349%0.487SS*.  trans55.3146.8-176.9-160.120.6000114.1I59 K63I59-D61 PolarHBondContact O-N 3.27Å; D61-K63 PolarHBondContact O-N 3.32Å
62N63.8Low81.8Confident114 Ų11495.1 Ų95.161%0.6148%0.484SS*.  trans-69.268.3-170.4-83.7-27.7000112.9D64N62-D64 PolarHBondContact O-N 3.04Å
63K58.8Low81.6Confident165 Ų16594.3 Ų94.372%0.71748%0.477SS*.  trans-9190.4164.7-74-172.6176.3177.80108.7D61 G65D61-K63 PolarHBondContact O-N 3.32Å; K63-G65 PolarHBondContact O-N 2.9Å; K63-G65 VanDerWaalsContact O-N 3.11Å
64D62.2Low81.6Confident145 Ų14595.7 Ų95.778%0.77549%0.486SS*.  trans-55.9112.1174.3-61.1-35.1000109.6N62N62-D64 PolarHBondContact O-N 3.04Å
65G67.6Low81.6Confident38 Ų3891.4 Ų91.439%0.39247%0.469SS..SBendtrans169.7-167-172.600000114K63 T67 Q68K63-G65 PolarHBondContact O-N 2.9Å; K63-G65 VanDerWaalsContact O-N 3.11Å; G65-T67 PolarHBondContact O-N 3.38Å; G65-Q68 PolarHBondContact O-N 3.38Å
66P70.1Confident81.8Confident95 Ų9587.8 Ų87.862%0.61746%0.455SS*.Hα-helixtrans-58.6-20.8-177.724.2-34000113.5Q68 K69 Y70P66-Q68 VanDerWaalsContact C-N 3.28Å; P66-Q68 PolarHBondContact O-N 3.37Å; P66-K69 PolarHBondContact O-N 2.86Å; P66-Y70 HydrophobicContact CB-CE2 4.13Å; P66-Y70 WeakPolarHBondContact O-CD2 3.27Å; P66-Y70 PolarHBondContact O-N 2.72Å
67T78.2Confident82.1Confident66 Ų6690.6 Ų90.641%0.40546%0.464SS..Hα-helixtrans-54.7-38.2175.8-45.90000112.9T60 G65 K69 Y70 L71T60-T67 HydrophobicContact CG2-CG2 3.81Å; G65-T67 PolarHBondContact O-N 3.38Å; T67-K69 PolarHBondContact O-N 3.07Å; T67-Y70 PolarHBondContact O-N 2.87Å; T67-L71 WeakPolarHBondContact O-CB 3.35Å; T67-L71 PolarHBondContact O-N 3.18Å
68Q82.4Confident82.5Confident114 Ų11487.1 Ų87.153%0.53345%0.454SS..Hα-helixtrans-66.6-39.2179.7-173-179-0.600112G65 P66 L71 L72G65-Q68 PolarHBondContact O-N 3.38Å; P66-Q68 VanDerWaalsContact C-N 3.28Å; P66-Q68 PolarHBondContact O-N 3.37Å; Q68-L71 PolarHBondContact O-N 3.46Å; Q68-L72 WeakPolarHBondContact O-CG 3.41Å; Q68-L72 PolarHBondContact O-N 3.37Å
69K84.9Confident82.9Confident140 Ų14084.3 Ų84.361%0.60944%0.438SS*.Hα-helixtrans-62.5-44.9176.4-176.5178.7178.8178.10110.9P66 T67 L71 L72 I73P66-K69 PolarHBondContact O-N 2.86Å; T67-K69 PolarHBondContact O-N 3.07Å; K69-L71 VanDerWaalsContact C-N 3.31Å; K69-L71 PolarHBondContact O-N 3.26Å; K69-L72 PolarHBondContact O-N 3.42Å; K69-I73 HydrophobicContact CG-CD1 4.29Å; K69-I73 WeakPolarHBondContact O-CG1 3.43Å; K69-I73 PolarHBondContact O-N 3.48Å; K69-I73 VanDerWaalsContact O-N 3.08Å
70Y86.6Confident83.4Confident160 Ų16078.2 Ų78.263%0.62741%0.407SS*.Hα-helixtrans-64.4-36.9176-66.6-64.8000112.2P66 T67 L72 I73 F74P66-Y70 HydrophobicContact CB-CE2 4.13Å; P66-Y70 WeakPolarHBondContact O-CD2 3.27Å; P66-Y70 PolarHBondContact O-N 2.72Å; T67-Y70 PolarHBondContact O-N 2.87Å; Y70-L72 VanDerWaalsContact C-N 3.35Å; Y70-L72 PolarHBondContact O-N 3.03Å; Y70-I73 PolarHBondContact O-N 3.49Å; Y70-F74 WeakPolarHBondContact O-CB 3.25Å; Y70-F74 PolarHBondContact O-N 2.91Å
71L89.3Confident84.2Confident22 Ų2281.4 Ų81.412%0.11541%0.413CS..Hα-helixtrans-65.5-36.9176.6-163.673.4000112.5W53 A56 R57 T67 Q68 K69 F74 G75W53-L71 PolarHBondContact NE1-O 3.34Å; A56-L71 HydrophobicContact CB-CD1 3.91Å; R57-L71 HydrophobicContact CB-CD2 3.71Å; R57-L71 HydrophobicContact CG-CD2 3.99Å; T67-L71 WeakPolarHBondContact O-CB 3.35Å; T67-L71 PolarHBondContact O-N 3.18Å; Q68-L71 PolarHBondContact O-N 3.46Å; K69-L71 VanDerWaalsContact C-N 3.31Å; K69-L71 PolarHBondContact O-N 3.26Å; L71-F74 HydrophobicContact CD1-CD1 4.5Å; L71-G75 PolarHBondContact O-N 3.47Å
72L90Very high85.4Confident88 Ų8876.5 Ų76.546%0.46139%0.386SS..Hα-helixtrans-65.9-45.1173-71.7171.2000111.8W53 Q68 K69 Y70 F74 G75 A76W53-L72 HydrophobicContact CZ2-CD2 3.8Å; Q68-L72 WeakPolarHBondContact O-CG 3.41Å; Q68-L72 PolarHBondContact O-N 3.37Å; K69-L72 PolarHBondContact O-N 3.42Å; Y70-L72 VanDerWaalsContact C-N 3.35Å; Y70-L72 PolarHBondContact O-N 3.03Å; L72-F74 VanDerWaalsContact C-N 3.33Å; L72-F74 PolarHBondContact O-N 3Å; L72-G75 PolarHBondContact O-N 3.39Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 2.95Å
73I92.3Very high87.1Confident39 Ų3971.6 Ų71.620%0.236%0.36CS..Hα-helixtrans-60.8-45.4176.2-65.7167000110.2K69 Y70 A76 F77 F204K69-I73 HydrophobicContact CG-CD1 4.29Å; K69-I73 WeakPolarHBondContact O-CG1 3.43Å; K69-I73 PolarHBondContact O-N 3.48Å; K69-I73 VanDerWaalsContact O-N 3.08Å; Y70-I73 PolarHBondContact O-N 3.49Å; I73-A76 PolarHBondContact O-N 3.25Å; I73-F77 HydrophobicContact CG2-CD2 3.93Å; I73-F77 HydrophobicContact CG2-CE2 3.55Å; I73-F77 HydrophobicContact CG2-CZ 4.1Å; I73-F77 PolarHBondContact O-N 3.33Å; I73-F204 HydrophobicContact CG1-CD2 4.19Å; I73-F204 HydrophobicContact CG1-CE2 4.37Å; I73-F204 HydrophobicContact CG1-CG 4.31Å; I73-F204 HydrophobicContact CG2-CD2 4.4Å; I73-F204 HydrophobicContact CG2-CE2 4.16Å
74F92.6Very high89Confident102 Ų10264.3 Ų64.345%0.44733%0.328SS..Hα-helixtrans-57.6-51.3174.5169.5-101.7000111.6A56 Y70 L71 L72 A76 F77 V78A56-F74 HydrophobicContact CB-CE1 4.31Å; Y70-F74 WeakPolarHBondContact O-CB 3.25Å; Y70-F74 PolarHBondContact O-N 2.91Å; L71-F74 HydrophobicContact CD1-CD1 4.5Å; L72-F74 VanDerWaalsContact C-N 3.33Å; L72-F74 PolarHBondContact O-N 3Å; F74-A76 VanDerWaalsContact C-N 3.29Å; F74-A76 PolarHBondContact O-N 3.4Å; F74-F77 PolarHBondContact O-N 3.39Å; F74-V78 HydrophobicContact CD1-CG2 4.41Å; F74-V78 HydrophobicContact CD2-CG2 4.08Å; F74-V78 HydrophobicContact CE1-CG2 3.99Å; F74-V78 HydrophobicContact CE2-CG2 3.63Å; F74-V78 HydrophobicContact CG-CG2 4.45Å; F74-V78 HydrophobicContact CZ-CG2 3.59Å; F74-V78 WeakPolarHBondContact O-CB 3.14Å; F74-V78 WeakPolarHBondContact O-CG2 3.47Å; F74-V78 PolarHBondContact O-N 3.45Å
75G94.4Very high90.7Very high8 Ų861.8 Ų61.88%0.08231%0.313CS..Hα-helixtrans-58-41.7178.700000112.6L71 L72 V78 S79L71-G75 PolarHBondContact O-N 3.47Å; L72-G75 PolarHBondContact O-N 3.39Å; G75-V78 PolarHBondContact O-N 3.41Å; G75-S79 WeakPolarHBondContact O-CB 3.38Å; G75-S79 PolarHBondContact O-N 2.88Å
76A94.8Very high92.2Very high25 Ų2562 Ų6221%0.20730%0.303CS..Hα-helixtrans-65.4-45177.600000112.3L72 I73 F74 S79 V80 F204L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 2.95Å; I73-A76 PolarHBondContact O-N 3.25Å; F74-A76 VanDerWaalsContact C-N 3.29Å; F74-A76 PolarHBondContact O-N 3.4Å; A76-S79 WeakPolarHBondContact O-CB 3.5Å; A76-S79 PolarHBondContact O-N 3.49Å; A76-S79 VanDerWaalsContact O-N 3.16Å; A76-S79 PolarHBondContact O-OG 2.97Å; A76-V80 WeakPolarHBondContact O-CG2 3.45Å; A76-V80 PolarHBondContact O-N 2.67Å; A76-F204 HydrophobicContact CB-CE1 4.12Å; A76-F204 HydrophobicContact CB-CE2 4.45Å; A76-F204 HydrophobicContact CB-CZ 3.46Å; A76-F204 VanDerWaalsContact CB-CZ 3.46Å
77F96.2Very high93.5Very high79 Ų7957.5 Ų57.535%0.34627%0.274SS..Hα-helixtrans-64.8-40.9175.7-70.4-28.4000113.1I73 F74 S79 V80 Y81 L197 A201 F204I73-F77 HydrophobicContact CG2-CD2 3.93Å; I73-F77 HydrophobicContact CG2-CE2 3.55Å; I73-F77 HydrophobicContact CG2-CZ 4.1Å; I73-F77 PolarHBondContact O-N 3.33Å; F74-F77 PolarHBondContact O-N 3.39Å; F77-S79 VanDerWaalsContact C-N 3.26Å; F77-S79 PolarHBondContact O-N 2.89Å; F77-V80 PolarHBondContact O-N 2.83Å; F77-Y81 PolarHBondContact O-N 2.89Å; F77-Y81 VanDerWaalsContact O-N 3.09Å; F77-L197 HydrophobicContact CB-CD2 4.13Å; F77-L197 HydrophobicContact CD1-CD2 3.55Å; F77-L197 HydrophobicContact CE1-CD2 4.28Å; F77-L197 HydrophobicContact CG-CD2 4.11Å; F77-A201 HydrophobicContact CE1-CB 3.97Å; F77-A201 HydrophobicContact CZ-CB 4.04Å; F77-F204 HydrophobicContact CE1-CE2 4.05Å; F77-F204 HydrophobicContact CZ-CE2 4.26Å
78V97.4Very high94.5Very high32 Ų3256.2 Ų56.219%0.19426%0.263CS..Hα-helixtrans-59.6-41172169.40000110.4V52 F74 G75 V80 Y81 I82V52-V78 HydrophobicContact CB-CG1 4.45Å; V52-V78 HydrophobicContact CG1-CG1 3.98Å; F74-V78 HydrophobicContact CD1-CG2 4.41Å; F74-V78 HydrophobicContact CD2-CG2 4.08Å; F74-V78 HydrophobicContact CE1-CG2 3.99Å; F74-V78 HydrophobicContact CE2-CG2 3.63Å; F74-V78 HydrophobicContact CG-CG2 4.45Å; F74-V78 HydrophobicContact CZ-CG2 3.59Å; F74-V78 WeakPolarHBondContact O-CB 3.14Å; F74-V78 WeakPolarHBondContact O-CG2 3.47Å; F74-V78 PolarHBondContact O-N 3.45Å; G75-V78 PolarHBondContact O-N 3.41Å; V78-V80 PolarHBondContact O-N 3.47Å; V78-Y81 PolarHBondContact O-N 3.04Å; V78-I82 HydrophobicContact CG1-CD1 3.62Å; V78-I82 HydrophobicContact CG1-CG1 4.3Å; V78-I82 WeakPolarHBondContact O-CG1 3.27Å; V78-I82 PolarHBondContact O-N 3.14Å
79S97.8Very high95.2Very high19 Ų1952.8 Ų52.813%0.13325%0.254CS..Hα-helixtrans-63.3-40.8178.284.10000112.9S49 G75 A76 F77 Y81 I82 Q83S49-S79 VanDerWaalsContact OG-CA 3.32Å; S49-S79 WeakPolarHBondContact OG-CA 3.5Å; G75-S79 WeakPolarHBondContact O-CB 3.38Å; G75-S79 PolarHBondContact O-N 2.88Å; A76-S79 WeakPolarHBondContact O-CB 3.5Å; A76-S79 PolarHBondContact O-N 3.49Å; A76-S79 VanDerWaalsContact O-N 3.16Å; A76-S79 PolarHBondContact O-OG 2.97Å; F77-S79 VanDerWaalsContact C-N 3.26Å; F77-S79 PolarHBondContact O-N 2.89Å; S79-Y81 VanDerWaalsContact C-N 3.35Å; S79-Y81 PolarHBondContact O-N 3.43Å; S79-I82 PolarHBondContact O-N 2.94Å; S79-Q83 WeakPolarHBondContact O-CB 3.19Å; S79-Q83 WeakPolarHBondContact O-CG 3.41Å; S79-Q83 PolarHBondContact O-N 3.42Å
80V98.3Very high95.8Very high3 Ų346.2 Ų46.22%0.01823%0.225CC..Hα-helixtrans-61.9-45.4176170.10000110.3A76 F77 V78 I82 Q83 E84 L193 H196 L197 S200A76-V80 WeakPolarHBondContact O-CG2 3.45Å; A76-V80 PolarHBondContact O-N 2.67Å; F77-V80 PolarHBondContact O-N 2.83Å; V78-V80 PolarHBondContact O-N 3.47Å; V80-I82 PolarHBondContact O-N 3.16Å; V80-Q83 WeakPolarHBondContact O-CB 3.26Å; V80-Q83 PolarHBondContact O-N 3.34Å; V80-E84 WeakPolarHBondContact O-CG 3.35Å; V80-E84 PolarHBondContact O-N 2.86Å; V80-L193 HydrophobicContact CG1-CD1 4.15Å; V80-H196 HydrophobicContact CG1-CB 3.99Å; V80-L197 HydrophobicContact CB-CD2 3.81Å; V80-L197 HydrophobicContact CG1-CD2 3.65Å; V80-L197 HydrophobicContact CG1-CG 3.79Å; V80-L197 HydrophobicContact CG2-CD2 4.39Å; V80-S200 WeakPolarHBondContact CG2-OG 3.48Å
81Y98.3Very high96.3Very high131 Ų13139.3 Ų39.351%0.51420%0.198SC..Hα-helixtrans-60.4-46.8177.1-179.2-97.2000112.2F77 V78 S79 Q83 E84 M85 L193F77-Y81 PolarHBondContact O-N 2.89Å; F77-Y81 VanDerWaalsContact O-N 3.09Å; V78-Y81 PolarHBondContact O-N 3.04Å; S79-Y81 VanDerWaalsContact C-N 3.35Å; S79-Y81 PolarHBondContact O-N 3.43Å; Y81-Q83 VanDerWaalsContact C-N 3.35Å; Y81-Q83 PolarHBondContact O-N 2.84Å; Y81-E84 PolarHBondContact O-N 3.46Å; Y81-M85 HydrophobicContact CD1-CG 4.21Å; Y81-M85 HydrophobicContact CE1-CG 3.8Å; Y81-M85 WeakPolarHBondContact O-CG 3.26Å; Y81-M85 PolarHBondContact O-N 3.06Å; Y81-L193 HydrophobicContact CD2-CD2 4.3Å
82I98.4Very high96.7Very high22 Ų2245.6 Ų45.611%0.11322%0.22CC..Hα-helixtrans-64.1-40.5178.2-65.4169.4000110.6S45 I48 S49 V52 V78 S79 V80 E84 M85 F86S45-I82 WeakPolarHBondContact O-CG2 3.36Å; I48-I82 HydrophobicContact CG2-CD1 4.27Å; S49-I82 WeakPolarHBondContact OG-CD1 3.3Å; V52-I82 HydrophobicContact CG2-CD1 4.44Å; V78-I82 HydrophobicContact CG1-CD1 3.62Å; V78-I82 HydrophobicContact CG1-CG1 4.3Å; V78-I82 WeakPolarHBondContact O-CG1 3.27Å; V78-I82 PolarHBondContact O-N 3.14Å; S79-I82 PolarHBondContact O-N 2.94Å; V80-I82 PolarHBondContact O-N 3.16Å; I82-E84 VanDerWaalsContact C-N 3.35Å; I82-E84 PolarHBondContact O-N 2.9Å; I82-M85 WeakPolarHBondContact O-CB 3.33Å; I82-M85 PolarHBondContact O-N 2.96Å; I82-F86 HydrophobicContact CG2-CD2 3.8Å; I82-F86 HydrophobicContact CG2-CE2 3.96Å; I82-F86 WeakPolarHBondContact O-CD2 3.49Å; I82-F86 PolarHBondContact O-N 3.38Å
83Q98.5Very high97Very high11 Ų1145.4 Ų45.45%0.05122%0.22CC..Hα-helixtrans-58.2-43.7174.8-76.6174.954.300112.2S45 S79 V80 Y81 F86 R87 H196S45-Q83 VanDerWaalsContact OG-CG 3.3Å; S45-Q83 WeakPolarHBondContact OG-CG 3.16Å; S79-Q83 WeakPolarHBondContact O-CB 3.19Å; S79-Q83 WeakPolarHBondContact O-CG 3.41Å; S79-Q83 PolarHBondContact O-N 3.42Å; V80-Q83 WeakPolarHBondContact O-CB 3.26Å; V80-Q83 PolarHBondContact O-N 3.34Å; Y81-Q83 VanDerWaalsContact C-N 3.35Å; Y81-Q83 PolarHBondContact O-N 2.84Å; Q83-F86 PolarHBondContact O-N 2.92Å; Q83-R87 PolarHBondContact O-N 3.24Å; Q83-H196 PolarHBondContact OE1-CE1 3.17Å
84E98.3Very high97.1Very high12 Ų1243.6 Ų43.66%0.05621%0.21CC..Hα-helixtrans-67.6-36.8176.4-65.6-52.2134.200112.5V80 Y81 I82 R87 F88 L193 H196V80-E84 WeakPolarHBondContact O-CG 3.35Å; V80-E84 PolarHBondContact O-N 2.86Å; Y81-E84 PolarHBondContact O-N 3.46Å; I82-E84 VanDerWaalsContact C-N 3.35Å; I82-E84 PolarHBondContact O-N 2.9Å; E84-R87 WeakPolarHBondContact O-CB 3.25Å; E84-R87 PolarHBondContact O-N 3.1Å; E84-R87 IonicContact OE1-CZ 2.75Å; E84-R87 IonicContact OE1-NH1 2.67Å; E84-R87 PolarHBondContact OE1-NH1 3.43Å; E84-R87 IonicContact OE1-NH2 3.96Å; E84-R87 PolarHBondContact OE1-NH2 3.07Å; E84-R87 IonicContact OE2-CZ 2.75Å; E84-R87 IonicContact OE2-NE 2.72Å; E84-R87 IonicContact OE2-NH1 3.35Å; E84-R87 PolarHBondContact OE2-NH1 3.43Å; E84-R87 IonicContact OE2-NH2 3.11Å; E84-F88 PolarHBondContact O-N 3.49Å; E84-L193 HydrophobicContact CB-CD1 4.28Å; E84-L193 HydrophobicContact CG-CB 4.44Å; E84-L193 HydrophobicContact CG-CD1 3.75Å; E84-H196 IonicContact OE1-CE1 2.75Å; E84-H196 IonicContact OE1-CG 2.7Å; E84-H196 IonicContact OE1-ND1 3.78Å; E84-H196 PolarHBondContact OE1-ND1 3.34Å
85M98.3Very high97.2Very high91 Ų9141.7 Ų41.745%0.44820%0.202SC..Hα-helixtrans-63.3-41.5173.2-72.7-61.1-63.400112.1Y81 I82 R87 F88 A89Y81-M85 HydrophobicContact CD1-CG 4.21Å; Y81-M85 HydrophobicContact CE1-CG 3.8Å; Y81-M85 WeakPolarHBondContact O-CG 3.26Å; Y81-M85 PolarHBondContact O-N 3.06Å; I82-M85 WeakPolarHBondContact O-CB 3.33Å; I82-M85 PolarHBondContact O-N 2.96Å; M85-R87 VanDerWaalsContact C-N 3.35Å; M85-F88 WeakPolarHBondContact O-CB 3.43Å; M85-F88 PolarHBondContact O-N 3.41Å; M85-A89 PolarHBondContact O-N 2.84Å
86F98.4Very high97.1Very high43 Ų4349 Ų4919%0.18923%0.231CC..Hα-helixtrans-68.3-33.7175.1-91.9-101.9000112.4F41 V44 S45 I48 I82 Q83 F88 A89 Y90F41-F86 HydrophobicContact CB-CD1 4.46Å; F41-F86 AromaticContact CD1-CD1 3.82Å; F41-F86 HydrophobicContact CD1-CD1 3.82Å; F41-F86 HydrophobicContact CD1-CE1 4.49Å; F41-F86 HydrophobicContact CG-CD1 4.5Å; F41-F86 WeakPolarHBondContact O-CD1 3.45Å; V44-F86 HydrophobicContact CB-CD1 4.4Å; V44-F86 HydrophobicContact CB-CE1 3.83Å; V44-F86 HydrophobicContact CB-CZ 4.48Å; V44-F86 HydrophobicContact CG1-CD1 4.44Å; V44-F86 HydrophobicContact CG1-CE1 3.43Å; V44-F86 VanDerWaalsContact CG1-CE1 3.43Å; V44-F86 HydrophobicContact CG1-CZ 3.72Å; S45-F86 VanDerWaalsContact CB-CG 3.49Å; I48-F86 HydrophobicContact CD1-CE2 3.67Å; I48-F86 HydrophobicContact CD1-CZ 3.4Å; I48-F86 VanDerWaalsContact CD1-CZ 3.4Å; I82-F86 HydrophobicContact CG2-CD2 3.8Å; I82-F86 HydrophobicContact CG2-CE2 3.96Å; I82-F86 WeakPolarHBondContact O-CD2 3.49Å; I82-F86 PolarHBondContact O-N 3.38Å; Q83-F86 PolarHBondContact O-N 2.92Å; F86-F88 VanDerWaalsContact C-N 3.33Å; F86-A89 PolarHBondContact O-N 2.89Å; F86-Y90 WeakPolarHBondContact O-CB 3.01Å; F86-Y90 PolarHBondContact O-N 3.34Å
87R98.3Very high96.9Very high0 Ų049.3 Ų49.30%023%0.234CC..Hα-helixtrans-61.2-42.8170.7-171.5176.9-61.5143.315.7111.5Q83 E84 M85 Y90 Y91 F124 H170 F177 F178Q83-R87 PolarHBondContact O-N 3.24Å; E84-R87 WeakPolarHBondContact O-CB 3.25Å; E84-R87 PolarHBondContact O-N 3.1Å; E84-R87 IonicContact OE1-CZ 2.75Å; E84-R87 IonicContact OE1-NH1 2.67Å; E84-R87 PolarHBondContact OE1-NH1 3.43Å; E84-R87 IonicContact OE1-NH2 3.96Å; E84-R87 PolarHBondContact OE1-NH2 3.07Å; E84-R87 IonicContact OE2-CZ 2.75Å; E84-R87 IonicContact OE2-NE 2.72Å; E84-R87 IonicContact OE2-NH1 3.35Å; E84-R87 PolarHBondContact OE2-NH1 3.43Å; E84-R87 IonicContact OE2-NH2 3.11Å; M85-R87 VanDerWaalsContact C-N 3.35Å; R87-Y90 PolarHBondContact O-N 3.23Å; R87-Y91 PolarHBondContact O-N 2.89Å; R87-F124 HydrophobicContact CB-CE1 3.96Å; R87-F124 HydrophobicContact CB-CZ 4.13Å; R87-H170 PolarHBondContact NH2-ND1 3.02Å; R87-H170 VanDerWaalsContact NH2-ND1 3.15Å; R87-F177 HydrophobicContact CG-CD1 4.15Å; R87-F177 HydrophobicContact CG-CE1 4.35Å; R87-F177 HydrophobicContact CG-CG 4.38Å; R87-F178 HydrophobicContact CG-CE1 4.38Å
88F98.3Very high96.6Very high39 Ų3946.4 Ų46.417%0.17122%0.224CC..Hα-helixtrans-63.3-44.6174.6-172.8-113.6000112.8E84 M85 F86 Y90 Y91 R92 F177 W186 L189E84-F88 PolarHBondContact O-N 3.49Å; M85-F88 WeakPolarHBondContact O-CB 3.43Å; M85-F88 PolarHBondContact O-N 3.41Å; F86-F88 VanDerWaalsContact C-N 3.33Å; F88-Y90 VanDerWaalsContact C-N 3.3Å; F88-Y90 PolarHBondContact O-N 3.48Å; F88-Y91 HydrophobicContact CD2-CD1 4.31Å; F88-Y91 HydrophobicContact CE2-CD1 4.35Å; F88-Y91 PolarHBondContact O-N 3.31Å; F88-R92 VanDerWaalsContact CE1-CZ 3.43Å; F88-R92 VanDerWaalsContact CZ-NE 3.3Å; F88-R92 PolarHBondContact O-N 2.94Å; F88-R92 VanDerWaalsContact O-N 3.07Å; F88-F177 HydrophobicContact CB-CE1 4.06Å; F88-F177 HydrophobicContact CB-CZ 3.81Å; F88-F177 AromaticContact CD2-CE1 3.95Å; F88-F177 HydrophobicContact CD2-CE1 3.95Å; F88-F177 HydrophobicContact CD2-CZ 4.05Å; F88-F177 HydrophobicContact CG-CZ 4.4Å; F88-W186 HydrophobicContact CE2-CZ3 4.22Å; F88-W186 HydrophobicContact CZ-CH2 4.34Å; F88-W186 HydrophobicContact CZ-CZ3 4.29Å; F88-L189 HydrophobicContact CD2-CD2 4.4Å
89A98.1Very high96.1Very high43 Ų4350.6 Ų50.636%0.35524%0.241SC..Hα-helixtrans-60.1-43.3176.100000111.1F41 M85 F86 R92 L93F41-A89 HydrophobicContact CE1-CB 4.39Å; M85-A89 PolarHBondContact O-N 2.84Å; F86-A89 PolarHBondContact O-N 2.89Å; A89-R92 PolarHBondContact O-N 3.35Å; A89-L93 PolarHBondContact O-N 3.49Å
90Y97.9Very high95.7Very high1 Ų151 Ų510%0.00425%0.248CC..Hα-helixtrans-67.4-40.9178.8-170.1-130.7000112.5F34 A37 G38 F41 F86 R87 F88 R92 L93 L94 S120 F124F34-Y90 WeakPolarHBondContact CA-OH 3.22Å; F34-Y90 PolarHBondContact O-OH 3.21Å; A37-Y90 HydrophobicContact CB-CE2 3.93Å; A37-Y90 WeakPolarHBondContact CB-OH 3.25Å; G38-Y90 VanDerWaalsContact CA-CE1 3.41Å; G38-Y90 PolarHBondContact N-OH 3.31Å; F41-Y90 HydrophobicContact CB-CG 4.45Å; F41-Y90 HydrophobicContact CD1-CD2 4.22Å; F41-Y90 HydrophobicContact CD1-CG 4.29Å; F41-Y90 AromaticContact CD2-CD2 3.73Å; F41-Y90 HydrophobicContact CD2-CD2 3.73Å; F41-Y90 HydrophobicContact CD2-CE2 4.24Å; F41-Y90 HydrophobicContact CD2-CG 4.35Å; F41-Y90 HydrophobicContact CE1-CD2 4.32Å; F41-Y90 AromaticContact CE2-CD2 3.83Å; F41-Y90 HydrophobicContact CE2-CD2 3.83Å; F41-Y90 HydrophobicContact CE2-CE2 4.34Å; F41-Y90 AromaticContact CG-CD2 3.93Å; F41-Y90 HydrophobicContact CG-CD2 3.93Å; F41-Y90 HydrophobicContact CG-CG 4.11Å; F41-Y90 HydrophobicContact CZ-CD2 4.14Å; F86-Y90 WeakPolarHBondContact O-CB 3.01Å; F86-Y90 PolarHBondContact O-N 3.34Å; R87-Y90 PolarHBondContact O-N 3.23Å; F88-Y90 VanDerWaalsContact C-N 3.3Å; F88-Y90 PolarHBondContact O-N 3.48Å; Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 2.85Å; Y90-L93 HydrophobicContact CE2-CD2 4.31Å; Y90-L93 PolarHBondContact O-N 3.38Å; Y90-L94 HydrophobicContact CD1-CD1 3.84Å; Y90-L94 HydrophobicContact CD1-CG 4.42Å; Y90-L94 HydrophobicContact CD2-CG 4.29Å; Y90-L94 HydrophobicContact CE1-CD1 3.45Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.45Å; Y90-L94 HydrophobicContact CE1-CD2 4.5Å; Y90-L94 HydrophobicContact CE1-CG 4.05Å; Y90-L94 HydrophobicContact CE2-CD1 4.22Å; Y90-L94 HydrophobicContact CE2-CD2 4.09Å; Y90-L94 HydrophobicContact CE2-CG 3.87Å; Y90-L94 HydrophobicContact CG-CD1 4.37Å; Y90-L94 WeakPolarHBondContact O-CB 3.46Å; Y90-L94 WeakPolarHBondContact O-CG 3.38Å; Y90-L94 PolarHBondContact O-N 3.44Å; Y90-S120 WeakPolarHBondContact CD1-OG 3.48Å; Y90-S120 WeakPolarHBondContact CE1-OG 3.41Å; Y90-F124 HydrophobicContact CD1-CE2 4.21Å
91Y97.4Very high95.1Very high15 Ų1554.2 Ų54.26%0.05927%0.265CS..Hα-helixtrans-53.5-47.5169.7157.1-101.4000111.9R87 F88 L93 L94 K95 M113 F178 C181 E182R87-Y91 PolarHBondContact O-N 2.89Å; F88-Y91 HydrophobicContact CD2-CD1 4.31Å; F88-Y91 HydrophobicContact CE2-CD1 4.35Å; F88-Y91 PolarHBondContact O-N 3.31Å; Y91-L93 VanDerWaalsContact C-N 3.32Å; Y91-L93 PolarHBondContact O-N 3.35Å; Y91-L94 PolarHBondContact O-N 3.24Å; Y91-K95 HydrophobicContact CE2-CD 4.32Å; Y91-K95 WeakPolarHBondContact O-CB 3.45Å; Y91-K95 PolarHBondContact O-N 3.44Å; Y91-K95 PolarHBondContact OH-NZ 3.49Å; Y91-M113 HydrophobicContact CD2-SD 4.23Å; Y91-M113 HydrophobicContact CE2-CE 4.46Å; Y91-M113 HydrophobicContact CE2-SD 4.15Å; Y91-F178 HydrophobicContact CD2-CD1 4.37Å; Y91-F178 AromaticContact CD2-CD2 3.69Å; Y91-F178 HydrophobicContact CD2-CD2 3.69Å; Y91-F178 AromaticContact CD2-CE2 3.88Å; Y91-F178 HydrophobicContact CD2-CE2 3.88Å; Y91-F178 AromaticContact CD2-CG 3.95Å; Y91-F178 HydrophobicContact CD2-CG 3.95Å; Y91-F178 HydrophobicContact CD2-CZ 4.3Å; Y91-F178 HydrophobicContact CE2-CD2 4.5Å; Y91-F178 HydrophobicContact CG-CE2 4.5Å; Y91-F178 HydrophobicContact CG-CZ 4.49Å; Y91-C181 HydrophobicContact CD1-CB 3.93Å; Y91-C181 HydrophobicContact CD2-CB 4.26Å; Y91-C181 HydrophobicContact CE1-CB 3.48Å; Y91-C181 VanDerWaalsContact CE1-CB 3.48Å; Y91-C181 HydrophobicContact CE2-CB 3.84Å; Y91-C181 HydrophobicContact CG-CB 4.3Å; Y91-C181 VanDerWaalsContact CZ-CB 3.41Å; Y91-E182 HydrophobicContact CE2-CG 4.4Å; Y91-E182 PolarHBondContact OH-OE1 3.44Å
92R96.9Very high94.5Very high154 Ų15454.8 Ų54.858%0.58127%0.27SS*.Hα-helixtrans-62.2-40.4178.6-73.9-173173.5-165.7-1.4112.1F88 A89 Y90 K96F88-R92 VanDerWaalsContact CE1-CZ 3.43Å; F88-R92 VanDerWaalsContact CZ-NE 3.3Å; F88-R92 PolarHBondContact O-N 2.94Å; F88-R92 VanDerWaalsContact O-N 3.07Å; A89-R92 PolarHBondContact O-N 3.35Å; Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 2.85Å; R92-K96 PolarHBondContact O-N 3.14Å
93L96.7Very high93.9Very high85 Ų8558 Ų5845%0.44530%0.295SS..Hα-helixtrans-63.3-48.6176.1-174.3154.8000110.8F41 A89 Y90 Y91 K95 K96 A97F41-L93 HydrophobicContact CE2-CD1 4.16Å; F41-L93 HydrophobicContact CZ-CD1 3.72Å; A89-L93 PolarHBondContact O-N 3.49Å; Y90-L93 HydrophobicContact CE2-CD2 4.31Å; Y90-L93 PolarHBondContact O-N 3.38Å; Y91-L93 VanDerWaalsContact C-N 3.32Å; Y91-L93 PolarHBondContact O-N 3.35Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.43Å; L93-K96 PolarHBondContact O-N 3.09Å; L93-A97 WeakPolarHBondContact O-CB 3.42Å; L93-A97 PolarHBondContact O-N 3.26Å
94L94.5Very high93.3Very high1 Ų164.3 Ų64.31%0.00533%0.327CS..Hα-helixtrans-61.5-39.6178.4-76.1176.5000112.4F34 Y90 Y91 A97 S98 L116 F178F34-L94 HydrophobicContact CB-CD2 4.31Å; F34-L94 HydrophobicContact CD1-CD2 3.37Å; F34-L94 HydrophobicContact CE1-CD2 3.75Å; F34-L94 HydrophobicContact CG-CD2 3.87Å; Y90-L94 HydrophobicContact CD1-CD1 3.84Å; Y90-L94 HydrophobicContact CD1-CG 4.42Å; Y90-L94 HydrophobicContact CD2-CG 4.29Å; Y90-L94 HydrophobicContact CE1-CD1 3.45Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.45Å; Y90-L94 HydrophobicContact CE1-CD2 4.5Å; Y90-L94 HydrophobicContact CE1-CG 4.05Å; Y90-L94 HydrophobicContact CE2-CD1 4.22Å; Y90-L94 HydrophobicContact CE2-CD2 4.09Å; Y90-L94 HydrophobicContact CE2-CG 3.87Å; Y90-L94 HydrophobicContact CG-CD1 4.37Å; Y90-L94 WeakPolarHBondContact O-CB 3.46Å; Y90-L94 WeakPolarHBondContact O-CG 3.38Å; Y90-L94 PolarHBondContact O-N 3.44Å; Y91-L94 PolarHBondContact O-N 3.24Å; L94-A97 PolarHBondContact O-N 2.75Å; L94-S98 VanDerWaalsContact O-CB 3.31Å; L94-S98 WeakPolarHBondContact O-CB 3.44Å; L94-S98 PolarHBondContact O-N 3.03Å; L94-L116 HydrophobicContact CB-CD1 4.47Å; L94-L116 HydrophobicContact CD1-CB 4.34Å; L94-F178 HydrophobicContact CD1-CE2 3.88Å; L94-F178 HydrophobicContact CD1-CZ 3.87Å
95K93.6Very high92.6Very high61 Ų6167.2 Ų67.227%0.26534%0.343SS..Hα-helixtrans-61.1-48.8174.6-175.4164.4-173150.40112Y91 L93 A97 S98 E99 M113 E182Y91-K95 HydrophobicContact CE2-CD 4.32Å; Y91-K95 WeakPolarHBondContact O-CB 3.45Å; Y91-K95 PolarHBondContact O-N 3.44Å; Y91-K95 PolarHBondContact OH-NZ 3.49Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.43Å; K95-A97 VanDerWaalsContact C-N 3.32Å; K95-A97 PolarHBondContact O-N 2.75Å; K95-S98 PolarHBondContact O-N 3.3Å; K95-E99 WeakPolarHBondContact CE-OE1 3.36Å; K95-E99 WeakPolarHBondContact O-CG 3.3Å; K95-E99 PolarHBondContact O-N 3.3Å; K95-M113 HydrophobicContact CB-CE 3.86Å; K95-M113 HydrophobicContact CG-CE 4.06Å; K95-E182 IonicContact NZ-OE1 3.95Å; K95-E182 PolarHBondContact NZ-OE1 3.14Å; K95-E182 IonicContact NZ-OE2 2.93Å
96K92.9Very high91.4Very high162 Ų16268.1 Ų68.170%0.70436%0.356SS*.Hα-helixtrans-62.6-40.1176.6-169.8174.9-178.5-178.90112.1R92 L93 G100R92-K96 PolarHBondContact O-N 3.14Å; L93-K96 PolarHBondContact O-N 3.09Å; K96-G100 PolarHBondContact O-N 2.99Å
97A91Very high89.9Confident32 Ų3269.8 Ų69.826%0.26439%0.385SS..Hα-helixtrans-65.3-45176.600000111.7L93 L94 K95 E99 G100 L101L93-A97 WeakPolarHBondContact O-CB 3.42Å; L93-A97 PolarHBondContact O-N 3.26Å; L94-A97 PolarHBondContact O-N 2.75Å; K95-A97 VanDerWaalsContact C-N 3.32Å; K95-A97 PolarHBondContact O-N 2.75Å; A97-E99 PolarHBondContact O-N 2.98Å; A97-G100 PolarHBondContact O-N 2.99Å; A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 VanDerWaalsContact O-CG 3.3Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 2.91Å
98S88.4Confident88.7Confident18 Ų1875.5 Ų75.513%0.12641%0.412CS..Hα-helixtrans-63.1-40.6177.9-177.20000112.3L94 K95 K102L94-S98 VanDerWaalsContact O-CB 3.31Å; L94-S98 WeakPolarHBondContact O-CB 3.44Å; L94-S98 PolarHBondContact O-N 3.03Å; K95-S98 PolarHBondContact O-N 3.3Å; S98-K102 WeakPolarHBondContact O-CB 3.43Å; S98-K102 PolarHBondContact O-N 3.48Å; S98-K102 VanDerWaalsContact O-N 3.17Å
99E88.7Confident87.4Confident119 Ų11980.3 Ų80.356%0.55644%0.444SS*.Hα-helixtrans-66.3-41.2175.6-72.3168.9-176.300111.4K95 A97 K102 S103K95-E99 WeakPolarHBondContact CE-OE1 3.36Å; K95-E99 WeakPolarHBondContact O-CG 3.3Å; K95-E99 PolarHBondContact O-N 3.3Å; A97-E99 PolarHBondContact O-N 2.98Å; E99-K102 PolarHBondContact O-N 3.44Å; E99-S103 PolarHBondContact O-N 3.17Å
100G88.1Confident86.2Confident27 Ų2779.9 Ų79.928%0.27844%0.44SS..Hα-helixtrans-68-39.2176.600000113.8K96 A97 K102 S103 I104K96-G100 PolarHBondContact O-N 2.99Å; A97-G100 PolarHBondContact O-N 2.99Å; G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 PolarHBondContact O-N 3.46Å; G100-S103 PolarHBondContact O-N 3.37Å; G100-S103 PolarHBondContact O-OG 2.89Å; G100-I104 WeakPolarHBondContact O-CG1 3.37Å; G100-I104 PolarHBondContact O-N 3.45Å
101L86Confident85.2Confident72 Ų7281 Ų8138%0.37745%0.448SS..Hα-helixtrans-63.7-40.9175.2-73.6170.9000111.2F34 A97 S103 I104 N105F34-L101 HydrophobicContact CZ-CD1 4.24Å; A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 VanDerWaalsContact O-CG 3.3Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 2.91Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 2.62Å; L101-I104 PolarHBondContact O-N 2.99Å; L101-N105 PolarHBondContact O-N 3.19Å; L101-N105 VanDerWaalsContact O-N 3.08Å
102K84.9Confident84.7Confident142 Ų14283.4 Ų83.462%0.61747%0.467SS*.Hα-helixtrans-63.5-33.2177.6-170.4178.7178.7-177.50112.9S98 E99 G100 A110S98-K102 WeakPolarHBondContact O-CB 3.43Å; S98-K102 PolarHBondContact O-N 3.48Å; S98-K102 VanDerWaalsContact O-N 3.17Å; E99-K102 PolarHBondContact O-N 3.44Å; G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 PolarHBondContact O-N 3.46Å; K102-A110 HydrophobicContact CB-CB 4.04Å; K102-A110 HydrophobicContact CG-CB 4.45Å
103S86.6Confident84.4Confident91 Ų9177.7 Ų77.764%0.63645%0.447SS*.Hα-helixtrans-79-31.8179660000113.2E99 G100 L101E99-S103 PolarHBondContact O-N 3.17Å; G100-S103 PolarHBondContact O-N 3.37Å; G100-S103 PolarHBondContact O-OG 2.89Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 2.62Å
104I87.1Confident84.1Confident142 Ų14280.8 Ų80.873%0.72845%0.453SS*.Hα-helixtrans-77.5-39-180-66.5168.5000111.4G100 L101G100-I104 WeakPolarHBondContact O-CG1 3.37Å; G100-I104 PolarHBondContact O-N 3.45Å; L101-I104 PolarHBondContact O-N 2.99Å
105N81.6Confident84Confident74 Ų7482.7 Ų82.740%0.39646%0.463SS..  trans-128.377.2179.8-164.29.1000111.8L101 G107 E108L101-N105 PolarHBondContact O-N 3.19Å; L101-N105 VanDerWaalsContact O-N 3.08Å; N105-G107 PolarHBondContact O-N 3.46Å; N105-G107 VanDerWaalsContact O-N 3.14Å; N105-E108 HydrophobicContact CB-CB 4.39Å; N105-E108 VanDerWaalsContact ND2-CB 3.34Å; N105-E108 WeakPolarHBondContact ND2-CB 3.42Å; N105-E108 PolarHBondContact ND2-OE2 2.94Å; N105-E108 PolarHBondContact O-N 3.01Å; N105-E108 VanDerWaalsContact O-N 3.13Å
106P73.6Confident84Confident110 Ų11080 Ų8071%0.71445%0.451SS*.THydrogen-bonded Turntrans-65.7-16.6-176.426.2-34.4000114E108P106-E108 VanDerWaalsContact C-N 3.34Å
107G67.6Low84.1Confident77 Ų7772.3 Ų72.379%0.79442%0.418SS*.THydrogen-bonded Turntrans-80.2-12.2176.400000114.3N105N105-G107 PolarHBondContact O-N 3.46Å; N105-G107 VanDerWaalsContact O-N 3.14Å
108E72.6Confident84.4Confident121 Ų12172.3 Ų72.357%0.56541%0.412SS*.SBendtrans-109.8131.6-178.9-167.1172.1-165.200110.7N105 P106 A110N105-E108 HydrophobicContact CB-CB 4.39Å; N105-E108 VanDerWaalsContact ND2-CB 3.34Å; N105-E108 WeakPolarHBondContact ND2-CB 3.42Å; N105-E108 PolarHBondContact ND2-OE2 2.94Å; N105-E108 PolarHBondContact O-N 3.01Å; N105-E108 VanDerWaalsContact O-N 3.13Å; P106-E108 VanDerWaalsContact C-N 3.34Å; E108-A110 PolarHBondContact O-N 3.48Å
109T71.1Confident84.9Confident140 Ų14071.5 Ų71.586%0.85941%0.406SS*.  trans-69.5107-177.2-9.70000109.9
110A72.2Confident85.3Confident33 Ų3365.8 Ų65.827%0.27338%0.379SS..PPolyproline II helixtrans-54.3142.8176.200000111.5K102 E108 S112K102-A110 HydrophobicContact CB-CB 4.04Å; K102-A110 HydrophobicContact CG-CB 4.45Å; E108-A110 PolarHBondContact O-N 3.48Å; A110-S112 PolarHBondContact O-N 3.28Å
111P77.4Confident85.8Confident24 Ų2464.5 Ų64.516%0.15637%0.366CS..PPolyproline II helixtrans-59.8130.7-17821.8-31.2000110.7F34 L116F34-P111 HydrophobicContact CE2-CG 4.2Å; P111-L116 HydrophobicContact CB-CD2 4.03Å; P111-L116 HydrophobicContact CB-CG 4.25Å; P111-L116 HydrophobicContact CG-CD1 4.4Å; P111-L116 HydrophobicContact CG-CD2 4.12Å; P111-L116 HydrophobicContact CG-CG 4.47Å
112S86.9Confident86.4Confident67 Ų6761.1 Ų61.147%0.46935%0.348SS..PPolyproline II helixtrans-61.4143.2-178.475.50000111.5A110 R114 L115 L116A110-S112 PolarHBondContact O-N 3.28Å; S112-R114 PolarHBondContact O-N 3.34Å; S112-R114 VanDerWaalsContact O-N 3.14Å; S112-L115 WeakPolarHBondContact O-CB 3.24Å; S112-L115 PolarHBondContact O-N 3.01Å; S112-L115 WeakPolarHBondContact OG-CB 3.49Å; S112-L115 PolarHBondContact OG-N 3.27Å; S112-L116 PolarHBondContact O-N 3.43Å
113M89.9Confident87Confident34 Ų3454.3 Ų54.317%0.16732%0.319CS..Hα-helixtrans-58.5-30.6178.5-171.258.168.100112.6Y91 K95 L116 A117 F178 E182Y91-M113 HydrophobicContact CD2-SD 4.23Å; Y91-M113 HydrophobicContact CE2-CE 4.46Å; Y91-M113 HydrophobicContact CE2-SD 4.15Å; K95-M113 HydrophobicContact CB-CE 3.86Å; K95-M113 HydrophobicContact CG-CE 4.06Å; M113-L116 PolarHBondContact O-N 3.03Å; M113-L116 HydrophobicContact SD-CB 4.48Å; M113-L116 HydrophobicContact SD-CD1 4.46Å; M113-A117 WeakPolarHBondContact O-CB 3.49Å; M113-A117 PolarHBondContact O-N 3.48Å; M113-F178 HydrophobicContact CG-CD2 4.23Å; M113-F178 HydrophobicContact SD-CD2 3.7Å; M113-F178 HydrophobicContact SD-CE2 4.04Å; M113-E182 HydrophobicContact CG-CG 3.87Å
114R90.8Very high87.6Confident150 Ų15050 Ų5057%0.56629%0.288SS*.Hα-helixtrans-65.4-43.1175.1-64.4-176.4-172.7167.49.2112S112 A117 Y118 A231S112-R114 PolarHBondContact O-N 3.34Å; S112-R114 VanDerWaalsContact O-N 3.14Å; R114-A117 WeakPolarHBondContact O-CB 3.25Å; R114-A117 PolarHBondContact O-N 3.04Å; R114-Y118 PolarHBondContact O-N 3.31Å; R114-Y118 VanDerWaalsContact O-N 3.09Å; R114-A231 PolarHBondContact NH1-O 2.68Å
115L92.1Very high88.1Confident41 Ų4143.2 Ų43.222%0.21525%0.254CS..Hα-helixtrans-63.3-47174.9178.964.3000110R31 S112 A117 Y118 V119R31-L115 HydrophobicContact CG-CD2 4.42Å; S112-L115 WeakPolarHBondContact O-CB 3.24Å; S112-L115 PolarHBondContact O-N 3.01Å; S112-L115 WeakPolarHBondContact OG-CB 3.49Å; S112-L115 PolarHBondContact OG-N 3.27Å; L115-A117 VanDerWaalsContact C-N 3.29Å; L115-A117 PolarHBondContact O-N 3.27Å; L115-Y118 HydrophobicContact CD1-CD1 4.3Å; L115-Y118 WeakPolarHBondContact O-CB 3.05Å; L115-Y118 PolarHBondContact O-N 3.2Å; L115-Y118 VanDerWaalsContact O-N 3.15Å; L115-V119 HydrophobicContact CD1-CG2 4.23Å; L115-V119 HydrophobicContact CG-CG2 4.32Å; L115-V119 VanDerWaalsContact O-CG2 3.25Å; L115-V119 WeakPolarHBondContact O-CG2 3.22Å; L115-V119 PolarHBondContact O-N 2.89Å
116L93.9Very high88.9Confident3 Ų341.7 Ų41.72%0.01625%0.245CC..Hα-helixtrans-59.6-38.4177.2-64.9179.7000112.5F34 L94 P111 S112 M113 V119 S120F34-L116 HydrophobicContact CD2-CD2 3.36Å; F34-L116 HydrophobicContact CE2-CD2 3.6Å; F34-L116 HydrophobicContact CG-CD2 4.06Å; F34-L116 HydrophobicContact CZ-CD2 4.45Å; L94-L116 HydrophobicContact CB-CD1 4.47Å; L94-L116 HydrophobicContact CD1-CB 4.34Å; P111-L116 HydrophobicContact CB-CD2 4.03Å; P111-L116 HydrophobicContact CB-CG 4.25Å; P111-L116 HydrophobicContact CG-CD1 4.4Å; P111-L116 HydrophobicContact CG-CD2 4.12Å; P111-L116 HydrophobicContact CG-CG 4.47Å; S112-L116 PolarHBondContact O-N 3.43Å; M113-L116 PolarHBondContact O-N 3.03Å; M113-L116 HydrophobicContact SD-CB 4.48Å; M113-L116 HydrophobicContact SD-CD1 4.46Å; L116-V119 PolarHBondContact O-N 2.95Å; L116-S120 WeakPolarHBondContact O-CB 3.37Å; L116-S120 PolarHBondContact O-N 3.27Å
117A96.6Very high90.1Very high1 Ų138.4 Ų38.41%0.00822%0.22CC..Hα-helixtrans-61.5-45.6174.500000112.4M113 R114 L115 G121 F178M113-A117 WeakPolarHBondContact O-CB 3.49Å; M113-A117 PolarHBondContact O-N 3.48Å; R114-A117 WeakPolarHBondContact O-CB 3.25Å; R114-A117 PolarHBondContact O-N 3.04Å; L115-A117 VanDerWaalsContact C-N 3.29Å; L115-A117 PolarHBondContact O-N 3.27Å; A117-G121 PolarHBondContact O-N 2.85Å; A117-F178 HydrophobicContact CB-CB 3.42Å; A117-F178 VanDerWaalsContact CB-CB 3.42Å; A117-F178 HydrophobicContact CB-CD1 4.11Å; A117-F178 HydrophobicContact CB-CD2 3.44Å; A117-F178 VanDerWaalsContact CB-CD2 3.44Å; A117-F178 HydrophobicContact CB-CE2 4.19Å; A117-F178 HydrophobicContact CB-CG 3.39Å
118Y97.4Very high91.6Very high33 Ų3335.4 Ų35.413%0.12919%0.188CC..Hα-helixtrans-62.6-48.9176.2162.7-99.9000111.7L20 T24 I25 R114 L115 S120 G121 L122 V171 I175L20-Y118 VanDerWaalsContact CB-OH 3.26Å; L20-Y118 WeakPolarHBondContact CB-OH 3.26Å; L20-Y118 HydrophobicContact CD1-CE2 4.43Å; L20-Y118 HydrophobicContact CD2-CE2 4.24Å; L20-Y118 VanDerWaalsContact CD2-OH 3.24Å; L20-Y118 WeakPolarHBondContact CD2-OH 3.49Å; T24-Y118 VanDerWaalsContact OG1-CE1 3.26Å; T24-Y118 WeakPolarHBondContact OG1-CE1 3.48Å; T24-Y118 PolarHBondContact OG1-OH 3.47Å; I25-Y118 HydrophobicContact CD1-CD1 4.34Å; I25-Y118 HydrophobicContact CD1-CE1 3.75Å; R114-Y118 PolarHBondContact O-N 3.31Å; R114-Y118 VanDerWaalsContact O-N 3.09Å; L115-Y118 HydrophobicContact CD1-CD1 4.3Å; L115-Y118 WeakPolarHBondContact O-CB 3.05Å; L115-Y118 PolarHBondContact O-N 3.2Å; L115-Y118 VanDerWaalsContact O-N 3.15Å; Y118-S120 PolarHBondContact O-N 3.45Å; Y118-G121 PolarHBondContact O-N 3.42Å; Y118-L122 WeakPolarHBondContact O-CB 3.38Å; Y118-L122 PolarHBondContact O-N 3.44Å; Y118-V171 HydrophobicContact CD2-CG1 3.57Å; Y118-V171 HydrophobicContact CE2-CG1 3.85Å; Y118-I175 HydrophobicContact CD2-CD1 4.4Å
119V97.5Very high92.8Very high0 Ų029.7 Ų29.70%016%0.161CC..Hα-helixtrans-61.3-45178.4177.30000111.2I25 R31 F34 L35 L115 L116 L122 G123I25-V119 HydrophobicContact CD1-CB 4.21Å; I25-V119 HydrophobicContact CD1-CG1 4.2Å; I25-V119 HydrophobicContact CD1-CG2 3.45Å; I25-V119 VanDerWaalsContact CD1-CG2 3.45Å; R31-V119 HydrophobicContact CB-CG2 4.24Å; R31-V119 HydrophobicContact CG-CG2 4.4Å; R31-V119 WeakPolarHBondContact O-CG1 3.41Å; F34-V119 HydrophobicContact CB-CG1 4.01Å; L35-V119 HydrophobicContact CB-CG1 3.76Å; L115-V119 HydrophobicContact CD1-CG2 4.23Å; L115-V119 HydrophobicContact CG-CG2 4.32Å; L115-V119 VanDerWaalsContact O-CG2 3.25Å; L115-V119 WeakPolarHBondContact O-CG2 3.22Å; L115-V119 PolarHBondContact O-N 2.89Å; L116-V119 PolarHBondContact O-N 2.95Å; V119-L122 PolarHBondContact O-N 2.97Å; V119-G123 PolarHBondContact O-N 3.12Å
120S97.6Very high94.1Very high0 Ų025.7 Ų25.70%014%0.136CC..Hα-helixtrans-59.3-48.2175.6174.80000111.6Y90 L116 Y118 L122 G123 F124Y90-S120 WeakPolarHBondContact CD1-OG 3.48Å; Y90-S120 WeakPolarHBondContact CE1-OG 3.41Å; L116-S120 WeakPolarHBondContact O-CB 3.37Å; L116-S120 PolarHBondContact O-N 3.27Å; Y118-S120 PolarHBondContact O-N 3.45Å; S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 3.5Å; S120-G123 PolarHBondContact O-N 2.95Å; S120-F124 WeakPolarHBondContact O-CD2 3.28Å; S120-F124 PolarHBondContact O-N 2.99Å; S120-F124 VanDerWaalsContact O-N 3.07Å
121G98.1Very high95.2Very high0 Ų029.5 Ų29.50%015%0.147CC..Hα-helixtrans-62.7-40.1179.800000112.1A117 Y118 F124 G125 H170A117-G121 PolarHBondContact O-N 2.85Å; Y118-G121 PolarHBondContact O-N 3.42Å; G121-F124 PolarHBondContact O-N 3.21Å; G121-G125 PolarHBondContact O-N 2.61Å; G121-H170 VanDerWaalsContact CA-O 3.25Å; G121-H170 WeakPolarHBondContact CA-O 3.27Å; G121-H170 CarbonylContact O-C 3.53Å
122L98.5Very high96Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-64.6-41.8175.2-175.461.4000112.2A17 L20 I25 L35 Y118 V119 S120 G125 I126 V171A17-L122 HydrophobicContact CB-CD1 4.37Å; L20-L122 HydrophobicContact CB-CD1 4.28Å; L20-L122 HydrophobicContact CB-CD2 3.98Å; L20-L122 HydrophobicContact CD1-CD1 4.12Å; I25-L122 HydrophobicContact CD1-CD2 4.34Å; I25-L122 HydrophobicContact CG1-CD2 3.86Å; L35-L122 HydrophobicContact CD1-CB 4.37Å; L35-L122 HydrophobicContact CD1-CD2 3.81Å; L35-L122 HydrophobicContact CD1-CG 3.98Å; Y118-L122 WeakPolarHBondContact O-CB 3.38Å; Y118-L122 PolarHBondContact O-N 3.44Å; V119-L122 PolarHBondContact O-N 2.97Å; S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 3.5Å; L122-G125 PolarHBondContact O-N 3.11Å; L122-I126 HydrophobicContact CD1-CD1 3.98Å; L122-I126 HydrophobicContact CD1-CG1 4.08Å; L122-I126 HydrophobicContact CD2-CD1 4.47Å; L122-I126 HydrophobicContact CG-CD1 3.82Å; L122-I126 HydrophobicContact CG-CG1 4.34Å; L122-I126 WeakPolarHBondContact O-CG1 3.47Å; L122-I126 PolarHBondContact O-N 3.2Å; L122-V171 HydrophobicContact CB-CG2 4Å; L122-V171 HydrophobicContact CD1-CG2 3.94Å
123G98.4Very high96.4Very high0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-60.7-45.2175.400000113V119 S120 M127V119-G123 PolarHBondContact O-N 3.12Å; S120-G123 PolarHBondContact O-N 2.95Å; G123-M127 PolarHBondContact O-N 2.86Å
124F98.6Very high96.8Very high0 Ų029.6 Ų29.60%015%0.149CC..Hα-helixtrans-60.7-46.2173.1-88.1-122.5000111.3G38 F41 W42 R87 Y90 S120 G121 S128 H170G38-F124 VanDerWaalsContact O-CD2 3.3Å; G38-F124 WeakPolarHBondContact O-CD2 3.24Å; G38-F124 WeakPolarHBondContact O-CE2 3.26Å; F41-F124 HydrophobicContact CB-CE2 4.15Å; F41-F124 HydrophobicContact CB-CZ 4.2Å; W42-F124 HydrophobicContact CB-CD1 4.13Å; W42-F124 HydrophobicContact CB-CD2 4.31Å; W42-F124 HydrophobicContact CB-CE1 4.29Å; W42-F124 HydrophobicContact CB-CE2 4.48Å; W42-F124 HydrophobicContact CB-CG 4.12Å; W42-F124 HydrophobicContact CB-CZ 4.47Å; W42-F124 AromaticContact CD1-CD1 3.57Å; W42-F124 HydrophobicContact CG-CD1 4.25Å; W42-F124 HydrophobicContact CG-CG 4.46Å; R87-F124 HydrophobicContact CB-CE1 3.96Å; R87-F124 HydrophobicContact CB-CZ 4.13Å; Y90-F124 HydrophobicContact CD1-CE2 4.21Å; S120-F124 WeakPolarHBondContact O-CD2 3.28Å; S120-F124 PolarHBondContact O-N 2.99Å; S120-F124 VanDerWaalsContact O-N 3.07Å; G121-F124 PolarHBondContact O-N 3.21Å; F124-S128 WeakPolarHBondContact O-CB 3.33Å; F124-S128 PolarHBondContact O-N 3.39Å; F124-H170 HydrophobicContact CB-CB 4.25Å
125G98.5Very high97Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-59.4-54.5179.900000112.6G121 L122 M127 S128 G129 I167 H170G121-G125 PolarHBondContact O-N 2.61Å; L122-G125 PolarHBondContact O-N 3.11Å; G125-M127 VanDerWaalsContact C-N 3.34Å; G125-M127 PolarHBondContact O-N 2.94Å; G125-S128 PolarHBondContact O-N 3.17Å; G125-G129 PolarHBondContact O-N 3.38Å; G125-I167 VanDerWaalsContact O-CG1 3.27Å; G125-I167 WeakPolarHBondContact O-CG1 3.44Å; G125-H170 VanDerWaalsContact CA-CB 3.45Å
126I98.5Very high97.1Very high41 Ų4128.2 Ų28.221%0.2115%0.154CC..Hα-helixtrans-56.3-48.9-179.7-70.8169.5000110.5A17 L35 L122 G129 V130A17-I126 HydrophobicContact CB-CG1 3.99Å; L35-I126 HydrophobicContact CD1-CD1 4.32Å; L122-I126 HydrophobicContact CD1-CD1 3.98Å; L122-I126 HydrophobicContact CD1-CG1 4.08Å; L122-I126 HydrophobicContact CD2-CD1 4.47Å; L122-I126 HydrophobicContact CG-CD1 3.82Å; L122-I126 HydrophobicContact CG-CG1 4.34Å; L122-I126 WeakPolarHBondContact O-CG1 3.47Å; L122-I126 PolarHBondContact O-N 3.2Å; I126-G129 PolarHBondContact O-N 3.21Å; I126-V130 HydrophobicContact CG2-CG2 4.31Å; I126-V130 WeakPolarHBondContact O-CB 3.5Å; I126-V130 WeakPolarHBondContact O-CG2 3.41Å; I126-V130 PolarHBondContact O-N 2.88Å
127M98.4Very high97.2Very high41 Ų4128.5 Ų28.520%0.20216%0.155CC..Hα-helixtrans-68-39.5-176.1-167.758.170.200112.3A39 W42 L43 G123 G125 G129 V130 F131A39-M127 HydrophobicContact CB-CB 4.02Å; A39-M127 HydrophobicContact CB-CE 3.82Å; W42-M127 HydrophobicContact CD2-CB 4.22Å; W42-M127 HydrophobicContact CD2-CG 4.16Å; W42-M127 HydrophobicContact CE3-CB 3.82Å; W42-M127 HydrophobicContact CE3-CG 3.28Å; W42-M127 HydrophobicContact CZ3-CB 4.41Å; W42-M127 HydrophobicContact CZ3-CG 3.7Å; L43-M127 HydrophobicContact CD1-CE 3.92Å; L43-M127 HydrophobicContact CD1-CG 4.44Å; L43-M127 HydrophobicContact CD1-SD 4.14Å; L43-M127 HydrophobicContact CD2-CG 3.67Å; L43-M127 HydrophobicContact CD2-SD 3.71Å; L43-M127 HydrophobicContact CG-CE 4.28Å; L43-M127 HydrophobicContact CG-CG 3.77Å; L43-M127 HydrophobicContact CG-SD 4.02Å; G123-M127 PolarHBondContact O-N 2.86Å; G125-M127 VanDerWaalsContact C-N 3.34Å; G125-M127 PolarHBondContact O-N 2.94Å; M127-G129 VanDerWaalsContact C-N 3.34Å; M127-G129 PolarHBondContact O-N 3.41Å; M127-V130 PolarHBondContact O-N 3.47Å; M127-F131 HydrophobicContact CG-CD2 4.39Å; M127-F131 PolarHBondContact O-N 3.21Å; M127-F131 HydrophobicContact SD-CD2 4.01Å; M127-F131 HydrophobicContact SD-CE2 4.14Å
128S98Very high97.1Very high15 Ų1531.7 Ų31.711%0.10518%0.177CC..Hα-helixtrans-59.3-43.5171.4-174.80000112.2F124 G125 S132 I166 H170F124-S128 WeakPolarHBondContact O-CB 3.33Å; F124-S128 PolarHBondContact O-N 3.39Å; G125-S128 PolarHBondContact O-N 3.17Å; S128-S132 WeakPolarHBondContact O-CB 3.45Å; S128-S132 PolarHBondContact O-N 3.15Å; S128-S132 PolarHBondContact O-OG 3.15Å; S128-I166 WeakPolarHBondContact OG-CG2 3.41Å; S128-H170 PolarHBondContact OG-NE2 3.04Å
129G97.9Very high97Very high0 Ų035.3 Ų35.30%020%0.199CC..Hα-helixtrans-64.8-42.9175.900000113.3G125 I126 M127 S132 F133G125-G129 PolarHBondContact O-N 3.38Å; I126-G129 PolarHBondContact O-N 3.21Å; M127-G129 VanDerWaalsContact C-N 3.34Å; M127-G129 PolarHBondContact O-N 3.41Å; G129-S132 WeakPolarHBondContact CA-OG 3.47Å; G129-S132 PolarHBondContact O-N 3.41Å; G129-S132 PolarHBondContact O-OG 3.42Å; G129-S132 VanDerWaalsContact O-OG 3.05Å; G129-F133 PolarHBondContact O-N 3.26Å
130V97.8Very high96.8Very high56 Ų5635.5 Ų35.534%0.33920%0.2SC..Hα-helixtrans-60.1-50.3176.91640000110.5F14 I126 M127 S132 F133 V134F14-V130 HydrophobicContact CE1-CG2 3.96Å; F14-V130 HydrophobicContact CZ-CG2 4.31Å; I126-V130 HydrophobicContact CG2-CG2 4.31Å; I126-V130 WeakPolarHBondContact O-CB 3.5Å; I126-V130 WeakPolarHBondContact O-CG2 3.41Å; I126-V130 PolarHBondContact O-N 2.88Å; M127-V130 PolarHBondContact O-N 3.47Å; V130-S132 VanDerWaalsContact C-N 3.33Å; V130-S132 PolarHBondContact O-N 2.92Å; V130-F133 PolarHBondContact O-N 3.35Å; V130-V134 HydrophobicContact CB-CG2 4.26Å; V130-V134 HydrophobicContact CG1-CG2 4.01Å; V130-V134 HydrophobicContact CG2-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CB 3.09Å; V130-V134 WeakPolarHBondContact O-CG2 3.28Å; V130-V134 PolarHBondContact O-N 3.31Å
131F96.4Very high96.6Very high113 Ų11339.5 Ų39.550%0.49622%0.221SC..Hα-helixtrans-64.3-35.1179.7-102.3-104.6000113.5W42 L43 L46 M127W42-F131 HydrophobicContact CH2-CB 3.55Å; W42-F131 HydrophobicContact CH2-CD1 4.34Å; W42-F131 HydrophobicContact CH2-CD2 4.27Å; W42-F131 AromaticContact CH2-CG 3.79Å; W42-F131 HydrophobicContact CH2-CG 3.79Å; W42-F131 HydrophobicContact CZ3-CB 3.88Å; W42-F131 HydrophobicContact CZ3-CD1 4.29Å; W42-F131 AromaticContact CZ3-CD2 3.69Å; W42-F131 HydrophobicContact CZ3-CD2 3.69Å; W42-F131 HydrophobicContact CZ3-CE2 4.35Å; W42-F131 AromaticContact CZ3-CG 3.67Å; W42-F131 HydrophobicContact CZ3-CG 3.67Å; L43-F131 HydrophobicContact CD2-CD2 3.91Å; L43-F131 HydrophobicContact CD2-CE2 3.18Å; L43-F131 HydrophobicContact CD2-CZ 3.61Å; L46-F131 HydrophobicContact CD2-CD1 3.33Å; L46-F131 HydrophobicContact CD2-CE1 3.46Å; L46-F131 VanDerWaalsContact CD2-CE1 3.46Å; L46-F131 HydrophobicContact CD2-CG 4.07Å; L46-F131 HydrophobicContact CD2-CZ 4.31Å; M127-F131 HydrophobicContact CG-CD2 4.39Å; M127-F131 PolarHBondContact O-N 3.21Å; M127-F131 HydrophobicContact SD-CD2 4.01Å; M127-F131 HydrophobicContact SD-CE2 4.14Å
132S93.7Very high96.3Very high63 Ų6340.9 Ų40.944%0.44124%0.235SC..Hα-helixtrans-79.1-28.2-177.554.50000113.8S128 G129 V130S128-S132 WeakPolarHBondContact O-CB 3.45Å; S128-S132 PolarHBondContact O-N 3.15Å; S128-S132 PolarHBondContact O-OG 3.15Å; G129-S132 WeakPolarHBondContact CA-OG 3.47Å; G129-S132 PolarHBondContact O-N 3.41Å; G129-S132 PolarHBondContact O-OG 3.42Å; G129-S132 VanDerWaalsContact O-OG 3.05Å; V130-S132 VanDerWaalsContact C-N 3.33Å; V130-S132 PolarHBondContact O-N 2.92Å
133F96.8Very high95.9Very high1 Ų147.4 Ų47.40%0.00428%0.278CS..Hα-helixtrans-128.5-23.1-166.2-166.4-134000116.6C9 A13 F14 G129 V130 N135 T136 L137 A160 T163C9-F133 HydrophobicContact CB-CE1 4.08Å; C9-F133 HydrophobicContact CB-CZ 3.9Å; A13-F133 HydrophobicContact CB-CD1 3.7Å; A13-F133 HydrophobicContact CB-CE1 3.87Å; F14-F133 HydrophobicContact CE2-CD1 4.16Å; G129-F133 PolarHBondContact O-N 3.26Å; V130-F133 PolarHBondContact O-N 3.35Å; F133-N135 VanDerWaalsContact C-N 3.32Å; F133-N135 PolarHBondContact O-N 3.44Å; F133-T136 HydrophobicContact CD2-CG2 4.18Å; F133-T136 HydrophobicContact CE2-CG2 4.02Å; F133-T136 PolarHBondContact O-N 2.73Å; F133-L137 HydrophobicContact CD1-CB 4.12Å; F133-L137 HydrophobicContact CD1-CD2 4.37Å; F133-L137 HydrophobicContact CE1-CB 3.99Å; F133-L137 HydrophobicContact CE1-CD1 3.83Å; F133-L137 HydrophobicContact CE1-CD2 4.26Å; F133-L137 HydrophobicContact CE1-CG 4.24Å; F133-L137 HydrophobicContact CE2-CB 4.39Å; F133-L137 HydrophobicContact CG-CB 4.38Å; F133-L137 HydrophobicContact CZ-CB 4.13Å; F133-L137 HydrophobicContact CZ-CD1 3.99Å; F133-L137 WeakPolarHBondContact O-CB 3.19Å; F133-L137 PolarHBondContact O-N 3.01Å; F133-A160 HydrophobicContact CE1-CB 3.75Å; F133-A160 HydrophobicContact CZ-CB 3.75Å; F133-T163 HydrophobicContact CB-CG2 4.02Å; F133-T163 WeakPolarHBondContact CB-OG1 3.49Å; F133-T163 HydrophobicContact CD1-CG2 4.47Å
134V96.7Very high95.5Very high64 Ų6449.9 Ų49.939%0.38830%0.304SS..Hα-helixtrans-61.6-38.8-171.2166.80000113.1F14 V130 L137 S138F14-V134 HydrophobicContact CE2-CG2 4.38Å; F14-V134 HydrophobicContact CZ-CG2 4.12Å; V130-V134 HydrophobicContact CB-CG2 4.26Å; V130-V134 HydrophobicContact CG1-CG2 4.01Å; V130-V134 HydrophobicContact CG2-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CB 3.09Å; V130-V134 WeakPolarHBondContact O-CG2 3.28Å; V130-V134 PolarHBondContact O-N 3.31Å; V134-L137 PolarHBondContact O-N 3.33Å; V134-S138 PolarHBondContact O-N 3.41Å
135N96.4Very high95Very high127 Ų12754.2 Ų54.268%0.67933%0.33SS*.Hα-helixtrans-64.7-51.4176.1-67-29.4000111F133 L137 S138 D139F133-N135 VanDerWaalsContact C-N 3.32Å; F133-N135 PolarHBondContact O-N 3.44Å; N135-L137 VanDerWaalsContact C-N 3.27Å; N135-L137 PolarHBondContact O-N 3.01Å; N135-S138 WeakPolarHBondContact O-CA 3.18Å; N135-S138 VanDerWaalsContact O-CB 3.26Å; N135-S138 WeakPolarHBondContact O-CB 3.35Å; N135-S138 PolarHBondContact O-N 3.47Å; N135-D139 PolarHBondContact O-N 3.31Å; N135-D139 VanDerWaalsContact O-N 3.15Å
136T94Very high94.7Very high34 Ų3456.1 Ų56.121%0.20934%0.342CS..Hα-helixtrans-59.1-38.5176.4-53.10000112.4F133 S138 D139 S140 F155 F156F133-T136 HydrophobicContact CD2-CG2 4.18Å; F133-T136 HydrophobicContact CE2-CG2 4.02Å; F133-T136 PolarHBondContact O-N 2.73Å; T136-S138 VanDerWaalsContact C-N 3.33Å; T136-D139 WeakPolarHBondContact O-CB 3.41Å; T136-D139 PolarHBondContact O-N 2.92Å; T136-S140 PolarHBondContact O-N 3.22Å; T136-F155 HydrophobicContact CG2-CD1 4.35Å; T136-F155 HydrophobicContact CG2-CE1 3.53Å; T136-F155 HydrophobicContact CG2-CZ 4.3Å; T136-F156 HydrophobicContact CG2-CD1 3.97Å; T136-F156 HydrophobicContact CG2-CE1 3.96Å; T136-F156 WeakPolarHBondContact O-CE1 3.48Å
137L95.5Very high94.3Very high10 Ų1055.6 Ų55.65%0.05235%0.346CS..Hα-helixtrans-65.1-39.8176.7179.861.8000110.6F6 C9 A10 F14 F133 V134 N135 D139 S140F6-L137 HydrophobicContact CD2-CD1 3.91Å; F6-L137 HydrophobicContact CD2-CG 3.81Å; F6-L137 WeakPolarHBondContact CD2-O 3.5Å; F6-L137 HydrophobicContact CE2-CD1 4.27Å; F6-L137 HydrophobicContact CE2-CD2 4.16Å; F6-L137 HydrophobicContact CE2-CG 3.7Å; F6-L137 HydrophobicContact CG-CD1 4.5Å; C9-L137 HydrophobicContact CB-CD1 3.66Å; A10-L137 HydrophobicContact CB-CD1 4.41Å; A10-L137 HydrophobicContact CB-CD2 3.87Å; F14-L137 HydrophobicContact CE2-CD2 4.36Å; F133-L137 HydrophobicContact CD1-CB 4.12Å; F133-L137 HydrophobicContact CD1-CD2 4.37Å; F133-L137 HydrophobicContact CE1-CB 3.99Å; F133-L137 HydrophobicContact CE1-CD1 3.83Å; F133-L137 HydrophobicContact CE1-CD2 4.26Å; F133-L137 HydrophobicContact CE1-CG 4.24Å; F133-L137 HydrophobicContact CE2-CB 4.39Å; F133-L137 HydrophobicContact CG-CB 4.38Å; F133-L137 HydrophobicContact CZ-CB 4.13Å; F133-L137 HydrophobicContact CZ-CD1 3.99Å; F133-L137 WeakPolarHBondContact O-CB 3.19Å; F133-L137 PolarHBondContact O-N 3.01Å; V134-L137 PolarHBondContact O-N 3.33Å; N135-L137 VanDerWaalsContact C-N 3.27Å; N135-L137 PolarHBondContact O-N 3.01Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 3.44Å; L137-S140 WeakPolarHBondContact O-CB 3.31Å; L137-S140 PolarHBondContact O-N 2.98Å; L137-S140 VanDerWaalsContact O-N 3.15Å; L137-S140 PolarHBondContact O-OG 3.04Å
138S95.3Very high94Very high67 Ų6761 Ų6147%0.46938%0.375SS..Hα-helixtrans-59.2-40.4173.5-172.90000111.9V134 N135 T136 S140 L141V134-S138 PolarHBondContact O-N 3.41Å; N135-S138 WeakPolarHBondContact O-CA 3.18Å; N135-S138 VanDerWaalsContact O-CB 3.26Å; N135-S138 WeakPolarHBondContact O-CB 3.35Å; N135-S138 PolarHBondContact O-N 3.47Å; T136-S138 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 3.34Å; S138-L141 WeakPolarHBondContact O-CB 3.36Å; S138-L141 PolarHBondContact O-N 2.92Å; S138-L141 VanDerWaalsContact O-N 3.12Å
139D93.9Very high93.6Very high110 Ų11068.3 Ų68.359%0.58841%0.407SS*.Hα-helixtrans-62.1-27.2178.4-62.5-27.9000112.6N135 T136 L137 L141 G142 F156N135-D139 PolarHBondContact O-N 3.31Å; N135-D139 VanDerWaalsContact O-N 3.15Å; T136-D139 WeakPolarHBondContact O-CB 3.41Å; T136-D139 PolarHBondContact O-N 2.92Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 3.44Å; D139-L141 PolarHBondContact O-N 2.85Å; D139-G142 PolarHBondContact O-N 3.38Å; D139-G142 VanDerWaalsContact O-N 3.11Å; D139-F156 HydrophobicContact CB-CE1 4.33Å; D139-F156 HydrophobicContact CB-CZ 4.4Å
140S93.7Very high93.1Very high4 Ų471.9 Ų71.93%0.02844%0.443CS..THydrogen-bonded Turntrans-68.5-11.4177.579.60000114.8T136 L137 S138 G142T136-S140 PolarHBondContact O-N 3.22Å; L137-S140 WeakPolarHBondContact O-CB 3.31Å; L137-S140 PolarHBondContact O-N 2.98Å; L137-S140 VanDerWaalsContact O-N 3.15Å; L137-S140 PolarHBondContact O-OG 3.04Å; S138-S140 PolarHBondContact O-N 3.34Å; S140-G142 PolarHBondContact O-N 3.48Å
141L94Very high92.6Very high83 Ų8373.3 Ų73.344%0.43545%0.449SS..THydrogen-bonded Turntrans-72.8-18.7172-69.9167.7000112.5T2 F6 S138 D139T2-L141 WeakPolarHBondContact CB-O 3.29Å; T2-L141 WeakPolarHBondContact CG2-O 3.25Å; F6-L141 HydrophobicContact CB-CD2 3.63Å; F6-L141 HydrophobicContact CB-CG 4.2Å; F6-L141 HydrophobicContact CD1-CD2 4.12Å; F6-L141 HydrophobicContact CD2-CD1 4.04Å; F6-L141 HydrophobicContact CD2-CD2 3.73Å; F6-L141 HydrophobicContact CD2-CG 3.62Å; F6-L141 HydrophobicContact CE2-CD1 4.09Å; F6-L141 HydrophobicContact CE2-CD2 4.42Å; F6-L141 HydrophobicContact CE2-CG 4.19Å; F6-L141 HydrophobicContact CG-CD2 3.55Å; F6-L141 HydrophobicContact CG-CG 4Å; S138-L141 WeakPolarHBondContact O-CB 3.36Å; S138-L141 PolarHBondContact O-N 2.92Å; S138-L141 VanDerWaalsContact O-N 3.12Å; D139-L141 PolarHBondContact O-N 2.85Å
142G90.9Very high92.3Very high29 Ų2970.1 Ų70.130%0.29944%0.441SS..SBendtrans-67.9153.3175.600000112.3T2 D139 S140 G144T2-G142 VanDerWaalsContact CG2-C 3.47Å; T2-G142 WeakPolarHBondContact CG2-O 3.37Å; D139-G142 PolarHBondContact O-N 3.38Å; D139-G142 VanDerWaalsContact O-N 3.11Å; S140-G142 PolarHBondContact O-N 3.48Å; G142-G144 PolarHBondContact O-N 3.16Å
143P90.3Very high92.1Very high137 Ų13771.1 Ų71.189%0.8945%0.446SS*.SBendtrans-67.3-16.1-179.228.3-35.3000114.1T2T2-P143 VanDerWaalsContact CG2-CA 3.5Å; T2-P143 HydrophobicContact CG2-CB 4.45Å
144G89.3Confident91.8Very high53 Ų5377.2 Ų77.255%0.54647%0.474SS..  trans-91152.7179.100000113.1G142G142-G144 PolarHBondContact O-N 3.16Å
145T90Very high91.5Very high91 Ų9177.6 Ų77.656%0.55847%0.471SS*.  trans-108.1161.4166-168.60000110P153T145-P153 HydrophobicContact CG2-CB 4.23Å; T145-P153 PolarHBondContact OG1-O 3.02Å
146V90.4Very high91.4Very high39 Ų3972.3 Ų72.324%0.23644%0.442CS..SBendtrans-61.9144.3172.5177.80000109.9D151 P153 F155 F156V146-D151 HydrophobicContact CG1-CB 3.56Å; V146-P153 VanDerWaalsContact O-CA 3.3Å; V146-P153 WeakPolarHBondContact O-CA 3.47Å; V146-F155 HydrophobicContact CB-CB 3.91Å; V146-F155 HydrophobicContact CB-CD1 4.5Å; V146-F155 HydrophobicContact CB-CG 4.41Å; V146-F155 HydrophobicContact CG1-CB 4.04Å; V146-F155 HydrophobicContact CG1-CG 4.34Å; V146-F155 HydrophobicContact CG2-CB 4.02Å; V146-F155 HydrophobicContact CG2-CD1 3.7Å; V146-F155 HydrophobicContact CG2-CE1 4.48Å; V146-F155 HydrophobicContact CG2-CG 4.09Å; V146-F156 HydrophobicContact CG2-CE2 4.17Å; V146-F156 HydrophobicContact CG2-CZ 4.14Å
147G90.2Very high91.4Very high30 Ų3074.1 Ų74.131%0.30945%0.45SS..  trans134.8-1.517100000117H149 G150 D151G147-H149 PolarHBondContact O-N 3.45Å; G147-H149 VanDerWaalsContact O-N 3.15Å; G147-G150 PolarHBondContact O-N 3.47Å; G147-D151 WeakPolarHBondContact CA-O 3.38Å
148I92.4Very high91.3Very high155 Ų15575.4 Ų75.480%0.79545%0.454SS*.THydrogen-bonded Turntrans-59.5-27.5176.8-164169.4000113
149H91Very high91.3Very high169 Ų16973.1 Ų73.178%0.78244%0.438SS*.THydrogen-bonded Turntrans-10220.2176.3-59.5109000113.5G147G147-H149 PolarHBondContact O-N 3.45Å; G147-H149 VanDerWaalsContact O-N 3.15Å
150G86.3Confident91.5Very high74 Ų7467.9 Ų67.976%0.76341%0.41SS*.SBendtrans89.54.4177.500000115.6G147G147-G150 PolarHBondContact O-N 3.47Å
151D88.2Confident91.7Very high87 Ų8770.8 Ų70.847%0.46542%0.423SS..  trans-70.7161.8171-69.1-50.7000112.5V146 G147V146-D151 HydrophobicContact CG1-CB 3.56Å; G147-D151 WeakPolarHBondContact CA-O 3.38Å
152S88.4Confident91.8Very high45 Ų4567.6 Ų67.632%0.31541%0.405SS..  trans-70.8134-179.9178.70000112.1Q154 F155S152-Q154 PolarHBondContact O-N 2.81Å; S152-Q154 VanDerWaalsContact O-N 3.15Å; S152-Q154 PolarHBondContact OG-N 3.27Å; S152-F155 WeakPolarHBondContact O-CB 3.33Å; S152-F155 PolarHBondContact O-N 2.84Å
153P90Very high92.1Very high84 Ų8466.6 Ų66.655%0.54539%0.393SS..THydrogen-bonded Turntrans-67.4-12.1173.429.4-35.5000113.3T145 V146 F155T145-P153 HydrophobicContact CG2-CB 4.23Å; T145-P153 PolarHBondContact OG1-O 3.02Å; V146-P153 VanDerWaalsContact O-CA 3.3Å; V146-P153 WeakPolarHBondContact O-CA 3.47Å; P153-F155 VanDerWaalsContact C-N 3.28Å; P153-F155 PolarHBondContact O-N 2.9Å
154Q90.5Very high92.5Very high130 Ų13061 Ų6161%0.60736%0.356SS*.THydrogen-bonded Turntrans-87.38177.8-62.6-179.8-30.800113.4S152 F156 L157 Y158S152-Q154 PolarHBondContact O-N 2.81Å; S152-Q154 VanDerWaalsContact O-N 3.15Å; S152-Q154 PolarHBondContact OG-N 3.27Å; Q154-F156 PolarHBondContact O-N 3.13Å; Q154-L157 WeakPolarHBondContact O-CB 3.45Å; Q154-L157 PolarHBondContact O-N 3.2Å; Q154-Y158 PolarHBondContact O-N 2.99Å
155F91.5Very high93Very high71 Ų7158.5 Ų58.531%0.31133%0.33SS..Hα-helixtrans-49.6-51.3-176.3177.4-101.1000113.4T136 V146 S152 P153 L157 Y158 S159T136-F155 HydrophobicContact CG2-CD1 4.35Å; T136-F155 HydrophobicContact CG2-CE1 3.53Å; T136-F155 HydrophobicContact CG2-CZ 4.3Å; V146-F155 HydrophobicContact CB-CB 3.91Å; V146-F155 HydrophobicContact CB-CD1 4.5Å; V146-F155 HydrophobicContact CB-CG 4.41Å; V146-F155 HydrophobicContact CG1-CB 4.04Å; V146-F155 HydrophobicContact CG1-CG 4.34Å; V146-F155 HydrophobicContact CG2-CB 4.02Å; V146-F155 HydrophobicContact CG2-CD1 3.7Å; V146-F155 HydrophobicContact CG2-CE1 4.48Å; V146-F155 HydrophobicContact CG2-CG 4.09Å; S152-F155 WeakPolarHBondContact O-CB 3.33Å; S152-F155 PolarHBondContact O-N 2.84Å; P153-F155 VanDerWaalsContact C-N 3.28Å; P153-F155 PolarHBondContact O-N 2.9Å; F155-L157 VanDerWaalsContact C-N 3.28Å; F155-L157 PolarHBondContact O-N 3.25Å; F155-Y158 PolarHBondContact O-N 3.05Å; F155-S159 WeakPolarHBondContact O-CB 3.41Å; F155-S159 PolarHBondContact O-N 2.81Å; F155-S159 PolarHBondContact O-OG 3.2Å; F155-S159 VanDerWaalsContact O-OG 3.14Å
156F94.1Very high93.3Very high16 Ų1655.3 Ų55.37%0.0731%0.31CS..Hα-helixtrans-59.4-39179.9-66.1-59.7000112.9V5 T136 D139 V146 Q154 A160V5-F156 HydrophobicContact CG1-CB 4.38Å; V5-F156 HydrophobicContact CG1-CD2 4.43Å; T136-F156 HydrophobicContact CG2-CD1 3.97Å; T136-F156 HydrophobicContact CG2-CE1 3.96Å; T136-F156 WeakPolarHBondContact O-CE1 3.48Å; D139-F156 HydrophobicContact CB-CE1 4.33Å; D139-F156 HydrophobicContact CB-CZ 4.4Å; V146-F156 HydrophobicContact CG2-CE2 4.17Å; V146-F156 HydrophobicContact CG2-CZ 4.14Å; Q154-F156 PolarHBondContact O-N 3.13Å; F156-A160 WeakPolarHBondContact O-CB 3.5Å; F156-A160 PolarHBondContact O-N 3.34Å
157L94.4Very high93.7Very high73 Ų7353.5 Ų53.538%0.38230%0.298SS..Hα-helixtrans-69.2-43.9179.3-16873.2000111.1I12 Q154 F155 A160 F161I12-L157 HydrophobicContact CD1-CD1 3.55Å; Q154-L157 WeakPolarHBondContact O-CB 3.45Å; Q154-L157 PolarHBondContact O-N 3.2Å; F155-L157 VanDerWaalsContact C-N 3.28Å; F155-L157 PolarHBondContact O-N 3.25Å; L157-A160 PolarHBondContact O-N 3.07Å; L157-F161 HydrophobicContact CD1-CD2 4.39Å; L157-F161 HydrophobicContact CD1-CE2 3.91Å; L157-F161 HydrophobicContact CD2-CE2 4.23Å; L157-F161 HydrophobicContact CG-CD2 3.99Å; L157-F161 HydrophobicContact CG-CE2 3.78Å; L157-F161 VanDerWaalsContact O-CD2 3.26Å; L157-F161 WeakPolarHBondContact O-CD2 3.22Å; L157-F161 PolarHBondContact O-N 3.38Å
158Y93.6Very high94.1Very high37 Ų3753.5 Ų53.515%0.14529%0.291CS..Hα-helixtrans-60.3-47.6175.3172.8-96.5000111.3Q154 F155 A160 F161 M162 Y209 L213Q154-Y158 PolarHBondContact O-N 2.99Å; F155-Y158 PolarHBondContact O-N 3.05Å; Y158-A160 VanDerWaalsContact C-N 3.34Å; Y158-A160 PolarHBondContact O-N 2.96Å; Y158-F161 PolarHBondContact O-N 3.2Å; Y158-M162 HydrophobicContact CD1-CG 4.24Å; Y158-M162 HydrophobicContact CD2-CG 4.33Å; Y158-M162 HydrophobicContact CE1-CG 3.75Å; Y158-M162 HydrophobicContact CE2-CG 3.82Å; Y158-M162 HydrophobicContact CE2-SD 4.28Å; Y158-M162 WeakPolarHBondContact O-CB 3.4Å; Y158-M162 WeakPolarHBondContact O-CG 3.37Å; Y158-M162 PolarHBondContact O-N 3.41Å; Y158-Y209 HydrophobicContact CD1-CD1 4.09Å; Y158-Y209 AromaticContact CE1-CD1 3.72Å; Y158-Y209 HydrophobicContact CE1-CD1 3.72Å; Y158-Y209 HydrophobicContact CE1-CE1 4.43Å; Y158-Y209 HydrophobicContact CE2-CD1 4.35Å; Y158-Y209 WeakPolarHBondContact CE2-O 3.44Å; Y158-Y209 AromaticContact CZ-CD1 3.86Å; Y158-L213 HydrophobicContact CD2-CB 4.13Å; Y158-L213 HydrophobicContact CD2-CD1 4.34Å; Y158-L213 HydrophobicContact CD2-CD2 4.1Å; Y158-L213 HydrophobicContact CD2-CG 4.43Å; Y158-L213 HydrophobicContact CE2-CB 3.81Å; Y158-L213 HydrophobicContact CE2-CD1 4.25Å; Y158-L213 HydrophobicContact CE2-CG 4.44Å
159S95Very high94.4Very high19 Ų1946.1 Ų46.113%0.13325%0.253CS..Hα-helixtrans-58.9-44.8176.4-63.60000111.5F155 F161 M162 T163F155-S159 WeakPolarHBondContact O-CB 3.41Å; F155-S159 PolarHBondContact O-N 2.81Å; F155-S159 PolarHBondContact O-OG 3.2Å; F155-S159 VanDerWaalsContact O-OG 3.14Å; S159-F161 PolarHBondContact O-N 2.99Å; S159-M162 PolarHBondContact O-N 3.27Å; S159-T163 WeakPolarHBondContact O-CB 3.44Å; S159-T163 PolarHBondContact O-N 3.48Å; S159-T163 PolarHBondContact O-OG1 2.75Å
160A97.5Very high94.8Very high0 Ų038 Ų380%022%0.216CC..Hα-helixtrans-59.8-46.117800000112.7C9 I12 A13 F133 F156 L157 Y158 T163 L164C9-A160 HydrophobicContact CB-CB 3.9Å; C9-A160 WeakPolarHBondContact O-CB 2.98Å; I12-A160 HydrophobicContact CB-CB 4.09Å; I12-A160 HydrophobicContact CG2-CB 3.87Å; A13-A160 WeakPolarHBondContact CA-O 3.32Å; A13-A160 HydrophobicContact CB-CB 4.35Å; F133-A160 HydrophobicContact CE1-CB 3.75Å; F133-A160 HydrophobicContact CZ-CB 3.75Å; F156-A160 WeakPolarHBondContact O-CB 3.5Å; F156-A160 PolarHBondContact O-N 3.34Å; L157-A160 PolarHBondContact O-N 3.07Å; Y158-A160 VanDerWaalsContact C-N 3.34Å; Y158-A160 PolarHBondContact O-N 2.96Å; A160-T163 PolarHBondContact O-N 2.75Å; A160-L164 PolarHBondContact O-N 2.7Å
161F97.6Very high95.4Very high65 Ų6534.7 Ų34.729%0.28518%0.181SC..Hα-helixtrans-68.4-38.8177.6-80-65.2000112.8I12 L157 Y158 S159 T163 L164 V165 L213 F217I12-F161 HydrophobicContact CD1-CE2 4.18Å; I12-F161 HydrophobicContact CD1-CZ 4.08Å; I12-F161 HydrophobicContact CG1-CZ 4.49Å; I12-F161 HydrophobicContact CG2-CB 4.48Å; I12-F161 HydrophobicContact CG2-CD1 3.49Å; I12-F161 VanDerWaalsContact CG2-CD1 3.49Å; I12-F161 HydrophobicContact CG2-CD2 4.28Å; I12-F161 HydrophobicContact CG2-CE1 3.7Å; I12-F161 HydrophobicContact CG2-CE2 4.43Å; I12-F161 HydrophobicContact CG2-CG 3.82Å; I12-F161 HydrophobicContact CG2-CZ 4.16Å; L157-F161 HydrophobicContact CD1-CD2 4.39Å; L157-F161 HydrophobicContact CD1-CE2 3.91Å; L157-F161 HydrophobicContact CD2-CE2 4.23Å; L157-F161 HydrophobicContact CG-CD2 3.99Å; L157-F161 HydrophobicContact CG-CE2 3.78Å; L157-F161 VanDerWaalsContact O-CD2 3.26Å; L157-F161 WeakPolarHBondContact O-CD2 3.22Å; L157-F161 PolarHBondContact O-N 3.38Å; Y158-F161 PolarHBondContact O-N 3.2Å; S159-F161 PolarHBondContact O-N 2.99Å; F161-T163 VanDerWaalsContact C-N 3.32Å; F161-T163 PolarHBondContact O-N 3.15Å; F161-L164 HydrophobicContact CD1-CD2 4.41Å; F161-L164 WeakPolarHBondContact O-CB 3.49Å; F161-L164 PolarHBondContact O-N 2.8Å; F161-V165 WeakPolarHBondContact O-CG2 3.42Å; F161-V165 PolarHBondContact O-N 3.49Å; F161-L213 HydrophobicContact CB-CD1 3.85Å; F161-L213 HydrophobicContact CB-CD2 4.13Å; F161-F217 HydrophobicContact CB-CE2 4.11Å; F161-F217 HydrophobicContact CB-CZ 4.36Å; F161-F217 HydrophobicContact CD1-CE2 4.22Å; F161-F217 AromaticContact CD1-CZ 3.82Å; F161-F217 HydrophobicContact CD1-CZ 3.82Å; F161-F217 HydrophobicContact CG-CE2 4.45Å; F161-F217 HydrophobicContact CG-CZ 4.46Å
162M96.4Very high95.9Very high15 Ų1532.7 Ų32.77%0.07417%0.168CC..Hα-helixtrans-63.2-40.7174.1-77.2-56.3-57.900111.5Y158 S159 V165 I166 T203 L213 A216Y158-M162 HydrophobicContact CD1-CG 4.24Å; Y158-M162 HydrophobicContact CD2-CG 4.33Å; Y158-M162 HydrophobicContact CE1-CG 3.75Å; Y158-M162 HydrophobicContact CE2-CG 3.82Å; Y158-M162 HydrophobicContact CE2-SD 4.28Å; Y158-M162 WeakPolarHBondContact O-CB 3.4Å; Y158-M162 WeakPolarHBondContact O-CG 3.37Å; Y158-M162 PolarHBondContact O-N 3.41Å; S159-M162 PolarHBondContact O-N 3.27Å; M162-V165 PolarHBondContact O-N 3.36Å; M162-I166 WeakPolarHBondContact O-CG1 3.19Å; M162-I166 PolarHBondContact O-N 3.04Å; M162-T203 HydrophobicContact CE-CG2 4.05Å; M162-L213 HydrophobicContact CG-CD1 3.79Å; M162-L213 HydrophobicContact SD-CD1 3.4Å; M162-L213 WeakPolarHBondContact SD-CD1 3.47Å; M162-A216 HydrophobicContact CE-CB 4.04Å; M162-A216 HydrophobicContact SD-CB 4.04Å
163T98Very high96.4Very high8 Ų830.6 Ų30.65%0.04915%0.153CC..Hα-helixtrans-61.2-44.4174.8-65.40000111.6A13 F14 F133 S159 A160 F161 V165 I166 I167A13-T163 HydrophobicContact CB-CG2 3.85Å; F14-T163 HydrophobicContact CE1-CG2 4.45Å; F14-T163 HydrophobicContact CZ-CG2 4.28Å; F133-T163 HydrophobicContact CB-CG2 4.02Å; F133-T163 WeakPolarHBondContact CB-OG1 3.49Å; F133-T163 HydrophobicContact CD1-CG2 4.47Å; S159-T163 WeakPolarHBondContact O-CB 3.44Å; S159-T163 PolarHBondContact O-N 3.48Å; S159-T163 PolarHBondContact O-OG1 2.75Å; A160-T163 PolarHBondContact O-N 2.75Å; F161-T163 VanDerWaalsContact C-N 3.32Å; F161-T163 PolarHBondContact O-N 3.15Å; T163-V165 VanDerWaalsContact C-N 3.34Å; T163-V165 PolarHBondContact O-N 2.85Å; T163-I166 PolarHBondContact O-N 3.43Å; T163-I167 HydrophobicContact CG2-CD1 3.71Å; T163-I167 HydrophobicContact CG2-CG1 4.38Å; T163-I167 WeakPolarHBondContact O-CD1 3.45Å; T163-I167 VanDerWaalsContact O-CG1 3.26Å; T163-I167 WeakPolarHBondContact O-CG1 3.5Å; T163-I167 PolarHBondContact O-N 2.93Å
164L98.4Very high96.7Very high21 Ų2126.6 Ų26.611%0.1113%0.127CC..Hα-helixtrans-55.4-49172.6169.861.7000111.7I12 P16 A160 F161 I166 I167 L168I12-L164 WeakPolarHBondContact O-CB 3.47Å; P16-L164 HydrophobicContact CB-CD1 3.82Å; P16-L164 HydrophobicContact CG-CD1 3.47Å; P16-L164 VanDerWaalsContact CG-CD1 3.47Å; A160-L164 PolarHBondContact O-N 2.7Å; F161-L164 HydrophobicContact CD1-CD2 4.41Å; F161-L164 WeakPolarHBondContact O-CB 3.49Å; F161-L164 PolarHBondContact O-N 2.8Å; L164-I166 PolarHBondContact O-N 3.28Å; L164-I167 PolarHBondContact O-N 2.67Å; L164-L168 HydrophobicContact CD1-CD1 3.71Å; L164-L168 HydrophobicContact CD1-CG 3.97Å; L164-L168 HydrophobicContact CG-CD1 4.28Å; L164-L168 PolarHBondContact O-N 2.95Å
165V98.3Very high97.1Very high0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-58.9-47.1179.5168.60000110.8F161 M162 T163 L168 L169 A216 F217 L220F161-V165 WeakPolarHBondContact O-CG2 3.42Å; F161-V165 PolarHBondContact O-N 3.49Å; M162-V165 PolarHBondContact O-N 3.36Å; T163-V165 VanDerWaalsContact C-N 3.34Å; T163-V165 PolarHBondContact O-N 2.85Å; V165-L168 PolarHBondContact O-N 3.48Å; V165-L169 HydrophobicContact CG1-CD1 3.62Å; V165-L169 HydrophobicContact CG1-CG 4.23Å; V165-L169 VanDerWaalsContact O-CB 3.25Å; V165-L169 WeakPolarHBondContact O-CB 3.44Å; V165-L169 VanDerWaalsContact O-CG 3.29Å; V165-L169 WeakPolarHBondContact O-CG 3.46Å; V165-L169 PolarHBondContact O-N 2.68Å; V165-A216 HydrophobicContact CG1-CB 3.92Å; V165-F217 HydrophobicContact CG2-CD1 4.04Å; V165-F217 HydrophobicContact CG2-CD2 3.82Å; V165-F217 HydrophobicContact CG2-CE1 3.86Å; V165-F217 HydrophobicContact CG2-CE2 3.64Å; V165-F217 HydrophobicContact CG2-CG 4.01Å; V165-F217 HydrophobicContact CG2-CZ 3.65Å; V165-L220 HydrophobicContact CG1-CB 4.28Å; V165-L220 HydrophobicContact CG2-CD2 4.12Å
166I98.1Very high97.4Very high24 Ų2418.2 Ų18.212%0.1239%0.09CC..Hα-helixtrans-63.5-43.9178.8-68.3-64.8000111.8S128 M162 T163 L164 L168 L169 H170 V199S128-I166 WeakPolarHBondContact OG-CG2 3.41Å; M162-I166 WeakPolarHBondContact O-CG1 3.19Å; M162-I166 PolarHBondContact O-N 3.04Å; T163-I166 PolarHBondContact O-N 3.43Å; L164-I166 PolarHBondContact O-N 3.28Å; I166-L168 PolarHBondContact O-N 3.41Å; I166-L169 PolarHBondContact O-N 3.2Å; I166-H170 PolarHBondContact O-CD2 3.21Å; I166-H170 PolarHBondContact O-N 3.37Å; I166-V199 HydrophobicContact CD1-CG1 3.61Å
167I98.7Very high97.6Very high0 Ų017.8 Ų17.80%09%0.088CC..Hα-helixtrans-58.4-51178.2-69.4159.5000110.5A13 F14 A17 G125 T163 L164 H170 V171A13-I167 WeakPolarHBondContact O-CD1 3.48Å; F14-I167 HydrophobicContact CD1-CD1 3.84Å; F14-I167 HydrophobicContact CE1-CD1 3.97Å; A17-I167 HydrophobicContact CB-CG2 3.86Å; G125-I167 VanDerWaalsContact O-CG1 3.27Å; G125-I167 WeakPolarHBondContact O-CG1 3.44Å; T163-I167 HydrophobicContact CG2-CD1 3.71Å; T163-I167 HydrophobicContact CG2-CG1 4.38Å; T163-I167 WeakPolarHBondContact O-CD1 3.45Å; T163-I167 VanDerWaalsContact O-CG1 3.26Å; T163-I167 WeakPolarHBondContact O-CG1 3.5Å; T163-I167 PolarHBondContact O-N 2.93Å; L164-I167 PolarHBondContact O-N 2.67Å; I167-H170 PolarHBondContact O-N 3.31Å; I167-V171 PolarHBondContact O-N 2.66Å
168L98.6Very high97.7Very high30 Ų3014.4 Ų14.416%0.1577%0.07CC..Hα-helixtrans-70.2-35.2-178.3-67-179.5000112.4P16 L20 L164 V165 I166 H170 V171 F172 L220P16-L168 HydrophobicContact CB-CD2 4.35Å; L20-L168 HydrophobicContact CD1-CD2 4.08Å; L164-L168 HydrophobicContact CD1-CD1 3.71Å; L164-L168 HydrophobicContact CD1-CG 3.97Å; L164-L168 HydrophobicContact CG-CD1 4.28Å; L164-L168 PolarHBondContact O-N 2.95Å; V165-L168 PolarHBondContact O-N 3.48Å; I166-L168 PolarHBondContact O-N 3.41Å; L168-H170 VanDerWaalsContact C-N 3.34Å; L168-H170 PolarHBondContact O-N 3.13Å; L168-V171 WeakPolarHBondContact O-CB 3.32Å; L168-V171 PolarHBondContact O-N 2.82Å; L168-V171 VanDerWaalsContact O-N 3.16Å; L168-F172 HydrophobicContact CB-CE2 4.25Å; L168-F172 VanDerWaalsContact O-CD2 3.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.49Å; L168-F172 WeakPolarHBondContact O-CG 3.32Å; L168-F172 PolarHBondContact O-N 3.17Å; L168-L220 HydrophobicContact CB-CD1 3.47Å; L168-L220 VanDerWaalsContact CB-CD1 3.47Å; L168-L220 HydrophobicContact CD1-CD1 4.43Å; L168-L220 HydrophobicContact CD1-CD2 4.17Å
169L98.6Very high97.8Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-61.7-40.6173.1-82.7173000111.9V165 I166 V171 F172 W173 V199 I219 L220 M223V165-L169 HydrophobicContact CG1-CD1 3.62Å; V165-L169 HydrophobicContact CG1-CG 4.23Å; V165-L169 VanDerWaalsContact O-CB 3.25Å; V165-L169 WeakPolarHBondContact O-CB 3.44Å; V165-L169 VanDerWaalsContact O-CG 3.29Å; V165-L169 WeakPolarHBondContact O-CG 3.46Å; V165-L169 PolarHBondContact O-N 2.68Å; I166-L169 PolarHBondContact O-N 3.2Å; L169-V171 VanDerWaalsContact C-N 3.27Å; L169-V171 PolarHBondContact O-N 3.22Å; L169-F172 PolarHBondContact O-N 2.81Å; L169-W173 HydrophobicContact CB-CD2 4.1Å; L169-W173 HydrophobicContact CB-CE3 3.95Å; L169-W173 HydrophobicContact CB-CH2 3.74Å; L169-W173 HydrophobicContact CB-CZ2 3.93Å; L169-W173 HydrophobicContact CB-CZ3 3.77Å; L169-W173 HydrophobicContact CD1-CH2 3.84Å; L169-W173 HydrophobicContact CD1-CZ2 3.86Å; L169-W173 HydrophobicContact CD2-CZ2 4.06Å; L169-W173 HydrophobicContact CG-CH2 4.3Å; L169-W173 HydrophobicContact CG-CZ2 4.19Å; L169-W173 WeakPolarHBondContact O-CB 3.4Å; L169-W173 VanDerWaalsContact O-CD2 3.31Å; L169-W173 PolarHBondContact O-N 3.38Å; L169-V199 HydrophobicContact CD1-CB 4.43Å; L169-V199 HydrophobicContact CD1-CG1 4.04Å; L169-V199 HydrophobicContact CD1-CG2 3.84Å; L169-I219 HydrophobicContact CD2-CG2 4.19Å; L169-L220 HydrophobicContact CD2-CB 4.43Å; L169-L220 HydrophobicContact CD2-CD1 4.18Å; L169-L220 HydrophobicContact CG-CB 4.42Å; L169-L220 HydrophobicContact CG-CD1 3.87Å; L169-M223 HydrophobicContact CD2-CB 3.89Å; L169-M223 HydrophobicContact CD2-CG 4.17Å
170H98.7Very high97.9Very high0 Ų012.7 Ų12.70%06%0.062CC..Hα-helixtrans-60.7-35.9173.6-82.5-64.2000112.9R87 G121 F124 G125 S128 I166 I167 L168 W173 G174 H196R87-H170 PolarHBondContact NH2-ND1 3.02Å; R87-H170 VanDerWaalsContact NH2-ND1 3.15Å; G121-H170 VanDerWaalsContact CA-O 3.25Å; G121-H170 WeakPolarHBondContact CA-O 3.27Å; G121-H170 CarbonylContact O-C 3.53Å; F124-H170 HydrophobicContact CB-CB 4.25Å; G125-H170 VanDerWaalsContact CA-CB 3.45Å; S128-H170 PolarHBondContact OG-NE2 3.04Å; I166-H170 PolarHBondContact O-CD2 3.21Å; I166-H170 PolarHBondContact O-N 3.37Å; I167-H170 PolarHBondContact O-N 3.31Å; L168-H170 VanDerWaalsContact C-N 3.34Å; L168-H170 PolarHBondContact O-N 3.13Å; H170-W173 AromaticContact ND1-CE3 3.97Å; H170-G174 PolarHBondContact O-N 3.42Å; H170-H196 AromaticContact CE1-CE1 3.66Å; H170-H196 AromaticContact CE1-NE2 3.9Å
171V98.6Very high97.8Very high3 Ų313.4 Ų13.42%0.0187%0.066CC..Hα-helixtrans-61.4-52.9172.3179.50000110.4Y118 L122 I167 L168 L169 G174 I175Y118-V171 HydrophobicContact CD2-CG1 3.57Å; Y118-V171 HydrophobicContact CE2-CG1 3.85Å; L122-V171 HydrophobicContact CB-CG2 4Å; L122-V171 HydrophobicContact CD1-CG2 3.94Å; I167-V171 PolarHBondContact O-N 2.66Å; L168-V171 WeakPolarHBondContact O-CB 3.32Å; L168-V171 PolarHBondContact O-N 2.82Å; L168-V171 VanDerWaalsContact O-N 3.16Å; L169-V171 VanDerWaalsContact C-N 3.27Å; L169-V171 PolarHBondContact O-N 3.22Å; V171-G174 PolarHBondContact O-N 2.85Å; V171-I175 HydrophobicContact CG1-CD1 4.17Å; V171-I175 WeakPolarHBondContact O-CG1 3.5Å; V171-I175 PolarHBondContact O-N 3.5Å; V171-I175 VanDerWaalsContact O-N 3.09Å
172F98.5Very high97.7Very high46 Ų4614.1 Ų14.120%0.2027%0.071CC..Hα-helixtrans-69.4-41.6-175.5-57-35.8000112.9L168 L169 G174 I175 V176 L220 M223 G224 A227L168-F172 HydrophobicContact CB-CE2 4.25Å; L168-F172 VanDerWaalsContact O-CD2 3.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.49Å; L168-F172 WeakPolarHBondContact O-CG 3.32Å; L168-F172 PolarHBondContact O-N 3.17Å; L169-F172 PolarHBondContact O-N 2.81Å; F172-G174 VanDerWaalsContact C-N 3.3Å; F172-G174 PolarHBondContact O-N 3.45Å; F172-I175 PolarHBondContact O-N 2.9Å; F172-V176 WeakPolarHBondContact O-CG2 3.41Å; F172-V176 PolarHBondContact O-N 3.01Å; F172-L220 HydrophobicContact CD2-CD1 3.79Å; F172-L220 HydrophobicContact CE2-CD1 3.51Å; F172-L220 HydrophobicContact CE2-CG 4.26Å; F172-M223 HydrophobicContact CB-CB 4.36Å; F172-M223 HydrophobicContact CB-CG 3.65Å; F172-G224 VanDerWaalsContact CE2-CA 3.41Å; F172-A227 HydrophobicContact CB-CB 3.93Å; F172-A227 HydrophobicContact CD1-CB 3.84Å; F172-A227 HydrophobicContact CG-CB 4.17Å
173W98.6Very high97.6Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-57.6-43.6170.2-72-33.2000111L169 H170 I175 V176 F177 V192 T195 H196 V199L169-W173 HydrophobicContact CB-CD2 4.1Å; L169-W173 HydrophobicContact CB-CE3 3.95Å; L169-W173 HydrophobicContact CB-CH2 3.74Å; L169-W173 HydrophobicContact CB-CZ2 3.93Å; L169-W173 HydrophobicContact CB-CZ3 3.77Å; L169-W173 HydrophobicContact CD1-CH2 3.84Å; L169-W173 HydrophobicContact CD1-CZ2 3.86Å; L169-W173 HydrophobicContact CD2-CZ2 4.06Å; L169-W173 HydrophobicContact CG-CH2 4.3Å; L169-W173 HydrophobicContact CG-CZ2 4.19Å; L169-W173 WeakPolarHBondContact O-CB 3.4Å; L169-W173 VanDerWaalsContact O-CD2 3.31Å; L169-W173 PolarHBondContact O-N 3.38Å; H170-W173 AromaticContact ND1-CE3 3.97Å; W173-I175 PolarHBondContact O-N 3.3Å; W173-V176 PolarHBondContact O-N 2.96Å; W173-F177 WeakPolarHBondContact O-CA 3.26Å; W173-F177 WeakPolarHBondContact O-CB 3.47Å; W173-F177 PolarHBondContact O-N 2.94Å; W173-V192 HydrophobicContact CB-CG1 3.7Å; W173-V192 HydrophobicContact CG-CG1 3.79Å; W173-T195 PolarHBondContact NE1-OG1 3.31Å; W173-H196 HydrophobicContact CD2-CB 4.38Å; W173-H196 HydrophobicContact CE3-CB 4.26Å; W173-H196 VanDerWaalsContact CH2-CA 3.5Å; W173-H196 HydrophobicContact CH2-CB 3.74Å; W173-H196 AromaticContact CH2-CD2 3.5Å; W173-H196 VanDerWaalsContact CH2-CD2 3.5Å; W173-H196 WeakPolarHBondContact CH2-CD2 3.35Å; W173-H196 AromaticContact CH2-CG 3.71Å; W173-H196 HydrophobicContact CZ2-CB 3.83Å; W173-H196 HydrophobicContact CZ3-CB 3.95Å; W173-H196 AromaticContact CZ3-CD2 3.4Å; W173-H196 VanDerWaalsContact CZ3-CD2 3.4Å; W173-H196 WeakPolarHBondContact CZ3-CD2 3.4Å; W173-H196 AromaticContact CZ3-CG 3.54Å; W173-H196 AromaticContact CZ3-NE2 3.89Å; W173-V199 HydrophobicContact CH2-CB 4.42Å; W173-V199 HydrophobicContact CZ2-CG2 4.28Å
174G97.9Very high97.4Very high0 Ų025.9 Ų25.90%012%0.121CC..Hα-helixtrans-55.1-49.2174.900000112.7H170 V171 F172 F177 F178H170-G174 PolarHBondContact O-N 3.42Å; V171-G174 PolarHBondContact O-N 2.85Å; F172-G174 VanDerWaalsContact C-N 3.3Å; F172-G174 PolarHBondContact O-N 3.45Å; G174-F177 PolarHBondContact O-N 3Å; G174-F178 VanDerWaalsContact O-CD1 3.25Å; G174-F178 WeakPolarHBondContact O-CD1 3.29Å; G174-F178 PolarHBondContact O-N 3.29Å
175I97.9Very high97.3Very high26 Ų2630.8 Ų30.813%0.13314%0.141CC..Hα-helixtrans-60.7-51.6178.8-65.7165.8000111.5Y118 V171 F172 W173 F177 D179 A227 V230Y118-I175 HydrophobicContact CD2-CD1 4.4Å; V171-I175 HydrophobicContact CG1-CD1 4.17Å; V171-I175 WeakPolarHBondContact O-CG1 3.5Å; V171-I175 PolarHBondContact O-N 3.5Å; V171-I175 VanDerWaalsContact O-N 3.09Å; F172-I175 PolarHBondContact O-N 2.9Å; W173-I175 PolarHBondContact O-N 3.3Å; I175-F177 VanDerWaalsContact C-N 3.35Å; I175-F177 PolarHBondContact O-N 3.21Å; I175-D179 PolarHBondContact O-N 3.3Å; I175-D179 VanDerWaalsContact O-N 3.14Å; I175-A227 HydrophobicContact CB-CB 4.24Å; I175-A227 HydrophobicContact CD1-CB 4.27Å; I175-A227 HydrophobicContact CG2-CB 4.13Å; I175-V230 HydrophobicContact CG2-CG1 4.07Å
176V97.9Very high97Very high0 Ų038.6 Ų38.60%017%0.171CC..Hα-helixtrans-66.6-38-178.5175.80000111.3F172 W173 D179 G180 V192 M223 W226 A227F172-V176 WeakPolarHBondContact O-CG2 3.41Å; F172-V176 PolarHBondContact O-N 3.01Å; W173-V176 PolarHBondContact O-N 2.96Å; V176-D179 PolarHBondContact O-N 3.33Å; V176-G180 PolarHBondContact O-N 3.22Å; V176-V192 HydrophobicContact CB-CG2 4.21Å; V176-V192 HydrophobicContact CG1-CG2 3.95Å; V176-M223 HydrophobicContact CB-SD 4.46Å; V176-M223 HydrophobicContact CG2-SD 3.92Å; V176-W226 HydrophobicContact CG2-CG 4.36Å; V176-A227 HydrophobicContact CG2-CB 4.28Å
177F98.1Very high96.9Very high6 Ų641.5 Ų41.53%0.02619%0.192CC..Hα-helixtrans-64.5-46.8179.7-171.6-77.4000111.9R87 F88 W173 G174 I175 G180 C181 L189 V192R87-F177 HydrophobicContact CG-CD1 4.15Å; R87-F177 HydrophobicContact CG-CE1 4.35Å; R87-F177 HydrophobicContact CG-CG 4.38Å; F88-F177 HydrophobicContact CB-CE1 4.06Å; F88-F177 HydrophobicContact CB-CZ 3.81Å; F88-F177 AromaticContact CD2-CE1 3.95Å; F88-F177 HydrophobicContact CD2-CE1 3.95Å; F88-F177 HydrophobicContact CD2-CZ 4.05Å; F88-F177 HydrophobicContact CG-CZ 4.4Å; W173-F177 WeakPolarHBondContact O-CA 3.26Å; W173-F177 WeakPolarHBondContact O-CB 3.47Å; W173-F177 PolarHBondContact O-N 2.94Å; G174-F177 PolarHBondContact O-N 3Å; I175-F177 VanDerWaalsContact C-N 3.35Å; I175-F177 PolarHBondContact O-N 3.21Å; F177-G180 PolarHBondContact O-N 3.34Å; F177-C181 VanDerWaalsContact CE1-SG 3.52Å; F177-C181 PolarHBondContact O-N 3.05Å; F177-C181 PolarHBondContact O-SG 3.06Å; F177-L189 HydrophobicContact CD2-CB 4.49Å; F177-L189 HydrophobicContact CD2-CG 3.95Å; F177-L189 HydrophobicContact CE1-CD2 4.28Å; F177-L189 HydrophobicContact CE1-CG 4.32Å; F177-L189 HydrophobicContact CE2-CB 4.16Å; F177-L189 HydrophobicContact CE2-CD2 4.06Å; F177-L189 HydrophobicContact CE2-CG 3.65Å; F177-L189 HydrophobicContact CG-CG 4.4Å; F177-L189 HydrophobicContact CZ-CD2 3.76Å; F177-L189 HydrophobicContact CZ-CG 3.82Å; F177-V192 HydrophobicContact CB-CG2 4.45Å; F177-V192 HydrophobicContact CD2-CB 4.34Å; F177-V192 HydrophobicContact CD2-CG1 4.04Å
178F97.1Very high96.7Very high2 Ų242.5 Ų42.51%0.00920%0.197CC..Hα-helixtrans-66-41178.7-84.548.6000111.1R87 Y91 L94 M113 A117 G174 G180 C181 E182R87-F178 HydrophobicContact CG-CE1 4.38Å; Y91-F178 HydrophobicContact CD2-CD1 4.37Å; Y91-F178 AromaticContact CD2-CD2 3.69Å; Y91-F178 HydrophobicContact CD2-CD2 3.69Å; Y91-F178 AromaticContact CD2-CE2 3.88Å; Y91-F178 HydrophobicContact CD2-CE2 3.88Å; Y91-F178 AromaticContact CD2-CG 3.95Å; Y91-F178 HydrophobicContact CD2-CG 3.95Å; Y91-F178 HydrophobicContact CD2-CZ 4.3Å; Y91-F178 HydrophobicContact CE2-CD2 4.5Å; Y91-F178 HydrophobicContact CG-CE2 4.5Å; Y91-F178 HydrophobicContact CG-CZ 4.49Å; L94-F178 HydrophobicContact CD1-CE2 3.88Å; L94-F178 HydrophobicContact CD1-CZ 3.87Å; M113-F178 HydrophobicContact CG-CD2 4.23Å; M113-F178 HydrophobicContact SD-CD2 3.7Å; M113-F178 HydrophobicContact SD-CE2 4.04Å; A117-F178 HydrophobicContact CB-CB 3.42Å; A117-F178 VanDerWaalsContact CB-CB 3.42Å; A117-F178 HydrophobicContact CB-CD1 4.11Å; A117-F178 HydrophobicContact CB-CD2 3.44Å; A117-F178 VanDerWaalsContact CB-CD2 3.44Å; A117-F178 HydrophobicContact CB-CE2 4.19Å; A117-F178 HydrophobicContact CB-CG 3.39Å; G174-F178 VanDerWaalsContact O-CD1 3.25Å; G174-F178 WeakPolarHBondContact O-CD1 3.29Å; G174-F178 PolarHBondContact O-N 3.29Å; F178-G180 VanDerWaalsContact C-N 3.32Å; F178-G180 PolarHBondContact O-N 2.95Å; F178-C181 WeakPolarHBondContact O-CB 3.38Å; F178-C181 PolarHBondContact O-N 3.45Å; F178-C181 VanDerWaalsContact O-N 3.17Å; F178-E182 WeakPolarHBondContact O-CG 3.42Å; F178-E182 PolarHBondContact O-N 2.73Å
179D96.4Very high96.5Very high21 Ų2142.1 Ų42.111%0.11220%0.195CC..Hα-helixtrans-61.1-40.9174.2-174.672.4000112.2I175 V176 C181 E182 K183 V230I175-D179 PolarHBondContact O-N 3.3Å; I175-D179 VanDerWaalsContact O-N 3.14Å; V176-D179 PolarHBondContact O-N 3.33Å; D179-C181 VanDerWaalsContact C-N 3.31Å; D179-C181 PolarHBondContact O-N 3.29Å; D179-E182 PolarHBondContact O-N 3.28Å; D179-K183 WeakPolarHBondContact O-CB 3.5Å; D179-K183 WeakPolarHBondContact O-CG 3.46Å; D179-K183 PolarHBondContact O-N 2.93Å; D179-K183 WeakPolarHBondContact OD1-CE 3.48Å; D179-K183 IonicContact OD1-NZ 3.6Å; D179-K183 PolarHBondContact OD1-NZ 2.97Å; D179-K183 WeakPolarHBondContact OD2-CD 3.33Å; D179-K183 WeakPolarHBondContact OD2-CE 3.29Å; D179-K183 IonicContact OD2-NZ 3.94Å; D179-K183 PolarHBondContact OD2-NZ 2.89Å; D179-V230 HydrophobicContact CB-CG1 3.33Å
180G96.3Very high96.4Very high0 Ų046.7 Ų46.70%022%0.219CC..Hα-helixtrans-60.4-40.4173.300000112.9V176 F177 F178 K184 K185V176-G180 PolarHBondContact O-N 3.22Å; F177-G180 PolarHBondContact O-N 3.34Å; F178-G180 VanDerWaalsContact C-N 3.32Å; F178-G180 PolarHBondContact O-N 2.95Å; G180-K184 CarbonylContact O-C 3.5Å; G180-K184 WeakPolarHBondContact O-CA 3.37Å; G180-K184 PolarHBondContact O-N 2.88Å; G180-K185 PolarHBondContact O-N 3.38Å
181C96.1Very high96.3Very high14 Ų1449.1 Ų49.110%0.09523%0.232CC..Hα-helixtrans-67.5-44.6176.1-70.90000112.4Y91 F177 F178 D179 K184Y91-C181 HydrophobicContact CD1-CB 3.93Å; Y91-C181 HydrophobicContact CD2-CB 4.26Å; Y91-C181 HydrophobicContact CE1-CB 3.48Å; Y91-C181 VanDerWaalsContact CE1-CB 3.48Å; Y91-C181 HydrophobicContact CE2-CB 3.84Å; Y91-C181 HydrophobicContact CG-CB 4.3Å; Y91-C181 VanDerWaalsContact CZ-CB 3.41Å; F177-C181 VanDerWaalsContact CE1-SG 3.52Å; F177-C181 PolarHBondContact O-N 3.05Å; F177-C181 PolarHBondContact O-SG 3.06Å; F178-C181 WeakPolarHBondContact O-CB 3.38Å; F178-C181 PolarHBondContact O-N 3.45Å; F178-C181 VanDerWaalsContact O-N 3.17Å; D179-C181 VanDerWaalsContact C-N 3.31Å; D179-C181 PolarHBondContact O-N 3.29Å; C181-K184 PolarHBondContact O-N 3.5Å
182E94.8Very high96.3Very high81 Ų8149 Ų4938%0.37923%0.231SC..Hα-helixtrans-64.2-42.2178.3-74.6-66.8106.200111.7Y91 K95 M113 F178 D179 K184Y91-E182 HydrophobicContact CE2-CG 4.4Å; Y91-E182 PolarHBondContact OH-OE1 3.44Å; K95-E182 IonicContact NZ-OE1 3.95Å; K95-E182 PolarHBondContact NZ-OE1 3.14Å; K95-E182 IonicContact NZ-OE2 2.93Å; M113-E182 HydrophobicContact CG-CG 3.87Å; F178-E182 WeakPolarHBondContact O-CG 3.42Å; F178-E182 PolarHBondContact O-N 2.73Å; D179-E182 PolarHBondContact O-N 3.28Å; E182-K184 VanDerWaalsContact C-N 3.28Å; E182-K184 PolarHBondContact O-N 3.5Å
183K94.6Very high96.3Very high107 Ų10748.3 Ų48.347%0.46523%0.229SC..THydrogen-bonded Turntrans-841.9178.3-64.8176.9-176.3154.30113.8D179 K185D179-K183 WeakPolarHBondContact O-CB 3.5Å; D179-K183 WeakPolarHBondContact O-CG 3.46Å; D179-K183 PolarHBondContact O-N 2.93Å; D179-K183 WeakPolarHBondContact OD1-CE 3.48Å; D179-K183 IonicContact OD1-NZ 3.6Å; D179-K183 PolarHBondContact OD1-NZ 2.97Å; D179-K183 WeakPolarHBondContact OD2-CD 3.33Å; D179-K183 WeakPolarHBondContact OD2-CE 3.29Å; D179-K183 IonicContact OD2-NZ 3.94Å; D179-K183 PolarHBondContact OD2-NZ 2.89Å; K183-K185 HydrophobicContact CB-CD 4.24Å; K183-K185 HydrophobicContact CB-CG 4.02Å; K183-K185 PolarHBondContact O-N 3.32Å
184K94.1Very high96.2Very high163 Ų16352.9 Ų52.971%0.70925%0.253SS*.THydrogen-bonded Turntrans52.331.9-174.5-57.6-179.5179.3177.80113.5G180 C181 E182 W186G180-K184 CarbonylContact O-C 3.5Å; G180-K184 WeakPolarHBondContact O-CA 3.37Å; G180-K184 PolarHBondContact O-N 2.88Å; C181-K184 PolarHBondContact O-N 3.5Å; E182-K184 VanDerWaalsContact C-N 3.28Å; E182-K184 PolarHBondContact O-N 3.5Å; K184-W186 PolarHBondContact O-N 2.88Å
185K94.8Very high96.2Very high123 Ų12354.1 Ų54.154%0.53526%0.261SS..  trans-94.982.2178.4-68.7-173.7178.7-1730110.2G180 K183 C187 L188G180-K185 PolarHBondContact O-N 3.38Å; K183-K185 HydrophobicContact CB-CD 4.24Å; K183-K185 HydrophobicContact CB-CG 4.02Å; K183-K185 PolarHBondContact O-N 3.32Å; K185-C187 PolarHBondContact O-N 2.9Å; K185-C187 VanDerWaalsContact O-N 3.13Å; K185-L188 HydrophobicContact CB-CD1 4.09Å; K185-L188 HydrophobicContact CB-CG 4.02Å; K185-L188 HydrophobicContact CD-CD1 4.33Å; K185-L188 WeakPolarHBondContact O-CB 3.5Å; K185-L188 PolarHBondContact O-N 2.86Å
186W93Very high96.2Very high165 Ų16553.1 Ų53.163%0.62526%0.256SS*.Hα-helixtrans-57.9-27-178.8-55.9101.9000114.4F88 K184 L188 L189 L190F88-W186 HydrophobicContact CE2-CZ3 4.22Å; F88-W186 HydrophobicContact CZ-CH2 4.34Å; F88-W186 HydrophobicContact CZ-CZ3 4.29Å; K184-W186 PolarHBondContact O-N 2.88Å; W186-L188 PolarHBondContact O-N 2.99Å; W186-L189 HydrophobicContact CE3-CD2 3.92Å; W186-L189 HydrophobicContact CZ3-CD2 4.09Å; W186-L189 WeakPolarHBondContact O-CB 3.36Å; W186-L189 PolarHBondContact O-N 2.91Å; W186-L189 VanDerWaalsContact O-N 3.14Å; W186-L190 PolarHBondContact O-N 2.86Å
187C95.2Very high96.2Very high84 Ų8455.1 Ų55.157%0.56827%0.266SS*.Hα-helixtrans-57.3-35.4173.9-173.40000112.3K185 L189 L190 I191K185-C187 PolarHBondContact O-N 2.9Å; K185-C187 VanDerWaalsContact O-N 3.13Å; C187-L189 VanDerWaalsContact C-N 3.34Å; C187-L189 PolarHBondContact O-N 3.01Å; C187-L190 PolarHBondContact O-N 3.43Å; C187-I191 WeakPolarHBondContact O-CG1 3.4Å; C187-I191 PolarHBondContact O-N 2.77Å
188L94.6Very high96.1Very high22 Ų2259 Ų5912%0.11529%0.287CS..Hα-helixtrans-66.4-37.2178.1-61.7-172.6000112.2K185 W186 L190 I191 V192 W226K185-L188 HydrophobicContact CB-CD1 4.09Å; K185-L188 HydrophobicContact CB-CG 4.02Å; K185-L188 HydrophobicContact CD-CD1 4.33Å; K185-L188 WeakPolarHBondContact O-CB 3.5Å; K185-L188 PolarHBondContact O-N 2.86Å; W186-L188 PolarHBondContact O-N 2.99Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-I191 PolarHBondContact O-N 3.48Å; L188-V192 WeakPolarHBondContact O-CG2 3.38Å; L188-V192 PolarHBondContact O-N 3.5Å; L188-W226 HydrophobicContact CD2-CH2 3.81Å; L188-W226 HydrophobicContact CD2-CZ2 3.41Å; L188-W226 VanDerWaalsContact CD2-CZ2 3.41Å
189L95.6Very high96Very high22 Ų2258.9 Ų58.912%0.11529%0.286CS..Hα-helixtrans-66.2-41.1177-79.463.1000110.7F88 F177 W186 C187 I191 V192 L193F88-L189 HydrophobicContact CD2-CD2 4.4Å; F177-L189 HydrophobicContact CD2-CB 4.49Å; F177-L189 HydrophobicContact CD2-CG 3.95Å; F177-L189 HydrophobicContact CE1-CD2 4.28Å; F177-L189 HydrophobicContact CE1-CG 4.32Å; F177-L189 HydrophobicContact CE2-CB 4.16Å; F177-L189 HydrophobicContact CE2-CD2 4.06Å; F177-L189 HydrophobicContact CE2-CG 3.65Å; F177-L189 HydrophobicContact CG-CG 4.4Å; F177-L189 HydrophobicContact CZ-CD2 3.76Å; F177-L189 HydrophobicContact CZ-CG 3.82Å; W186-L189 HydrophobicContact CE3-CD2 3.92Å; W186-L189 HydrophobicContact CZ3-CD2 4.09Å; W186-L189 WeakPolarHBondContact O-CB 3.36Å; W186-L189 PolarHBondContact O-N 2.91Å; W186-L189 VanDerWaalsContact O-N 3.14Å; C187-L189 VanDerWaalsContact C-N 3.34Å; C187-L189 PolarHBondContact O-N 3.01Å; L189-I191 VanDerWaalsContact C-N 3.34Å; L189-I191 PolarHBondContact O-N 3.01Å; L189-V192 PolarHBondContact O-N 2.89Å; L189-L193 PolarHBondContact O-N 3.46Å
190L96.2Very high95.9Very high95 Ų9558.8 Ų58.850%0.49729%0.287SS..Hα-helixtrans-61.7-43174.8-179.461.6000111.3W186 C187 L188 V192 L193 L194W186-L190 PolarHBondContact O-N 2.86Å; C187-L190 PolarHBondContact O-N 3.43Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L190-V192 PolarHBondContact O-N 3.29Å; L190-L193 PolarHBondContact O-N 2.88Å; L190-L194 HydrophobicContact CD1-CD1 4.21Å; L190-L194 HydrophobicContact CD1-CG 4.1Å; L190-L194 HydrophobicContact CG-CD1 3.95Å; L190-L194 HydrophobicContact CG-CG 4.27Å; L190-L194 WeakPolarHBondContact O-CB 3.35Å; L190-L194 VanDerWaalsContact O-CG 3.25Å; L190-L194 WeakPolarHBondContact O-CG 3.36Å; L190-L194 PolarHBondContact O-N 3.49Å
191I96.4Very high95.8Very high52 Ų5260.3 Ų60.327%0.26730%0.299SS..Hα-helixtrans-63.6-41.8177.7-67.2167.4000111.5C187 L188 L189 L194 T195 W226C187-I191 WeakPolarHBondContact O-CG1 3.4Å; C187-I191 PolarHBondContact O-N 2.77Å; L188-I191 PolarHBondContact O-N 3.48Å; L189-I191 VanDerWaalsContact C-N 3.34Å; L189-I191 PolarHBondContact O-N 3.01Å; I191-L194 PolarHBondContact O-N 3.33Å; I191-T195 HydrophobicContact CG2-CG2 4.29Å; I191-T195 WeakPolarHBondContact O-CB 3.43Å; I191-T195 WeakPolarHBondContact O-CG2 3.47Å; I191-T195 PolarHBondContact O-N 2.95Å; I191-T195 PolarHBondContact O-OG1 3.02Å; I191-W226 HydrophobicContact CD1-CH2 3.87Å; I191-W226 HydrophobicContact CG2-CH2 4.11Å; I191-W226 HydrophobicContact CG2-CZ3 3.78Å
192V97.9Very high95.6Very high0 Ų060.7 Ų60.70%030%0.3CS..Hα-helixtrans-59.8-47.9174.4169.20000110.7W173 V176 F177 L188 L189 L190 L194 T195 H196W173-V192 HydrophobicContact CB-CG1 3.7Å; W173-V192 HydrophobicContact CG-CG1 3.79Å; V176-V192 HydrophobicContact CB-CG2 4.21Å; V176-V192 HydrophobicContact CG1-CG2 3.95Å; F177-V192 HydrophobicContact CB-CG2 4.45Å; F177-V192 HydrophobicContact CD2-CB 4.34Å; F177-V192 HydrophobicContact CD2-CG1 4.04Å; L188-V192 WeakPolarHBondContact O-CG2 3.38Å; L188-V192 PolarHBondContact O-N 3.5Å; L189-V192 PolarHBondContact O-N 2.89Å; L190-V192 PolarHBondContact O-N 3.29Å; V192-L194 PolarHBondContact O-N 2.96Å; V192-T195 PolarHBondContact O-N 3.39Å; V192-T195 PolarHBondContact O-OG1 3.5Å; V192-H196 WeakPolarHBondContact O-CB 3.46Å; V192-H196 PolarHBondContact O-N 3.46Å
193L98Very high95.3Very high32 Ų3260.1 Ų60.117%0.16830%0.302CS..Hα-helixtrans-59.1-47.4176.417563.6000112V80 Y81 E84 L189 L190 T195 H196 L197V80-L193 HydrophobicContact CG1-CD1 4.15Å; Y81-L193 HydrophobicContact CD2-CD2 4.3Å; E84-L193 HydrophobicContact CB-CD1 4.28Å; E84-L193 HydrophobicContact CG-CB 4.44Å; E84-L193 HydrophobicContact CG-CD1 3.75Å; L189-L193 PolarHBondContact O-N 3.46Å; L190-L193 PolarHBondContact O-N 2.88Å; L193-T195 PolarHBondContact O-N 3.38Å; L193-H196 PolarHBondContact O-N 3.14Å; L193-L197 HydrophobicContact CD1-CD1 4.08Å; L193-L197 HydrophobicContact CD1-CG 4.23Å; L193-L197 HydrophobicContact CG-CD1 4.04Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 WeakPolarHBondContact O-CG 3.46Å; L193-L197 PolarHBondContact O-N 2.99Å
194L97.8Very high94.9Very high96 Ų9658.3 Ų58.350%0.50329%0.294SS..Hα-helixtrans-64.7-40.6-179.2-70.9175.9000112.1L190 I191 V192 L197 L198L190-L194 HydrophobicContact CD1-CD1 4.21Å; L190-L194 HydrophobicContact CD1-CG 4.1Å; L190-L194 HydrophobicContact CG-CD1 3.95Å; L190-L194 HydrophobicContact CG-CG 4.27Å; L190-L194 WeakPolarHBondContact O-CB 3.35Å; L190-L194 VanDerWaalsContact O-CG 3.25Å; L190-L194 WeakPolarHBondContact O-CG 3.36Å; L190-L194 PolarHBondContact O-N 3.49Å; I191-L194 PolarHBondContact O-N 3.33Å; V192-L194 PolarHBondContact O-N 2.96Å; L194-L197 PolarHBondContact O-N 2.99Å; L194-L198 VanDerWaalsContact O-CB 3.29Å; L194-L198 WeakPolarHBondContact O-CB 3.49Å; L194-L198 PolarHBondContact O-N 3.29Å
195T97.7Very high94.4Very high25 Ų2554.8 Ų54.815%0.15328%0.282CS..Hα-helixtrans-69.4-35.4176.952.30000111.9W173 I191 V192 L193 L198 V199 M223W173-T195 PolarHBondContact NE1-OG1 3.31Å; I191-T195 HydrophobicContact CG2-CG2 4.29Å; I191-T195 WeakPolarHBondContact O-CB 3.43Å; I191-T195 WeakPolarHBondContact O-CG2 3.47Å; I191-T195 PolarHBondContact O-N 2.95Å; I191-T195 PolarHBondContact O-OG1 3.02Å; V192-T195 PolarHBondContact O-N 3.39Å; V192-T195 PolarHBondContact O-OG1 3.5Å; L193-T195 PolarHBondContact O-N 3.38Å; T195-L198 PolarHBondContact O-N 3.34Å; T195-V199 VanDerWaalsContact O-CG2 3.31Å; T195-V199 WeakPolarHBondContact O-CG2 3.39Å; T195-V199 PolarHBondContact O-N 3.42Å; T195-M223 HydrophobicContact CG2-CE 4.15Å
196H98.3Very high93.1Very high6 Ų651.8 Ų51.83%0.02828%0.277CS..Hα-helixtrans-66.8-43.5173.4-168.9-177.7000112V80 Q83 E84 H170 W173 V192 L193 L198 S200V80-H196 HydrophobicContact CG1-CB 3.99Å; Q83-H196 PolarHBondContact OE1-CE1 3.17Å; E84-H196 IonicContact OE1-CE1 2.75Å; E84-H196 IonicContact OE1-CG 2.7Å; E84-H196 IonicContact OE1-ND1 3.78Å; E84-H196 PolarHBondContact OE1-ND1 3.34Å; H170-H196 AromaticContact CE1-CE1 3.66Å; H170-H196 AromaticContact CE1-NE2 3.9Å; W173-H196 HydrophobicContact CD2-CB 4.38Å; W173-H196 HydrophobicContact CE3-CB 4.26Å; W173-H196 VanDerWaalsContact CH2-CA 3.5Å; W173-H196 HydrophobicContact CH2-CB 3.74Å; W173-H196 AromaticContact CH2-CD2 3.5Å; W173-H196 VanDerWaalsContact CH2-CD2 3.5Å; W173-H196 WeakPolarHBondContact CH2-CD2 3.35Å; W173-H196 AromaticContact CH2-CG 3.71Å; W173-H196 HydrophobicContact CZ2-CB 3.83Å; W173-H196 HydrophobicContact CZ3-CB 3.95Å; W173-H196 AromaticContact CZ3-CD2 3.4Å; W173-H196 VanDerWaalsContact CZ3-CD2 3.4Å; W173-H196 WeakPolarHBondContact CZ3-CD2 3.4Å; W173-H196 AromaticContact CZ3-CG 3.54Å; W173-H196 AromaticContact CZ3-NE2 3.89Å; V192-H196 WeakPolarHBondContact O-CB 3.46Å; V192-H196 PolarHBondContact O-N 3.46Å; L193-H196 PolarHBondContact O-N 3.14Å; H196-L198 VanDerWaalsContact C-N 3.34Å; H196-L198 PolarHBondContact O-N 3.31Å; H196-S200 WeakPolarHBondContact O-CB 3.37Å; H196-S200 PolarHBondContact O-N 3.28Å; H196-S200 PolarHBondContact O-OG 3.27Å
197L97.4Very high92.1Very high42 Ų4248.7 Ų48.722%0.2228%0.28CS..Hα-helixtrans-61.6-41.5172.9-74.6170000111.9F77 V80 L193 L194 S200 A201F77-L197 HydrophobicContact CB-CD2 4.13Å; F77-L197 HydrophobicContact CD1-CD2 3.55Å; F77-L197 HydrophobicContact CE1-CD2 4.28Å; F77-L197 HydrophobicContact CG-CD2 4.11Å; V80-L197 HydrophobicContact CB-CD2 3.81Å; V80-L197 HydrophobicContact CG1-CD2 3.65Å; V80-L197 HydrophobicContact CG1-CG 3.79Å; V80-L197 HydrophobicContact CG2-CD2 4.39Å; L193-L197 HydrophobicContact CD1-CD1 4.08Å; L193-L197 HydrophobicContact CD1-CG 4.23Å; L193-L197 HydrophobicContact CG-CD1 4.04Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 WeakPolarHBondContact O-CG 3.46Å; L193-L197 PolarHBondContact O-N 2.99Å; L194-L197 PolarHBondContact O-N 2.99Å; L197-S200 PolarHBondContact O-N 3.16Å; L197-A201 VanDerWaalsContact O-CB 3.3Å; L197-A201 WeakPolarHBondContact O-CB 3.32Å; L197-A201 PolarHBondContact O-N 3.49Å
198L95.9Very high91.2Very high87 Ų8751.4 Ų51.446%0.45528%0.28SS..Hα-helixtrans-60.7-53.1178.4176.161.4000111.3L194 T195 H196 S200 A201 Q202 I219L194-L198 VanDerWaalsContact O-CB 3.29Å; L194-L198 WeakPolarHBondContact O-CB 3.49Å; L194-L198 PolarHBondContact O-N 3.29Å; T195-L198 PolarHBondContact O-N 3.34Å; H196-L198 VanDerWaalsContact C-N 3.34Å; H196-L198 PolarHBondContact O-N 3.31Å; L198-S200 VanDerWaalsContact C-N 3.26Å; L198-S200 PolarHBondContact O-N 3.01Å; L198-A201 PolarHBondContact O-N 3.46Å; L198-A201 VanDerWaalsContact O-N 3.15Å; L198-Q202 HydrophobicContact CD1-CG 4.5Å; L198-Q202 VanDerWaalsContact O-CG 3.32Å; L198-Q202 WeakPolarHBondContact O-CG 3.48Å; L198-Q202 PolarHBondContact O-N 2.67Å; L198-I219 HydrophobicContact CD2-CD1 3.75Å; L198-I219 HydrophobicContact CG-CD1 4.12Å
199V95.7Very high90.5Very high0 Ų054.2 Ų54.20%029%0.289CS..Hα-helixtrans-61.5-39.3179.8176.90000110.6I166 L169 W173 T195 Q202 T203 I219I166-V199 HydrophobicContact CD1-CG1 3.61Å; L169-V199 HydrophobicContact CD1-CB 4.43Å; L169-V199 HydrophobicContact CD1-CG1 4.04Å; L169-V199 HydrophobicContact CD1-CG2 3.84Å; W173-V199 HydrophobicContact CH2-CB 4.42Å; W173-V199 HydrophobicContact CZ2-CG2 4.28Å; T195-V199 VanDerWaalsContact O-CG2 3.31Å; T195-V199 WeakPolarHBondContact O-CG2 3.39Å; T195-V199 PolarHBondContact O-N 3.42Å; V199-Q202 PolarHBondContact O-N 3.09Å; V199-T203 PolarHBondContact O-N 2.85Å; V199-I219 HydrophobicContact CG2-CB 4.37Å; V199-I219 HydrophobicContact CG2-CD1 3.75Å; V199-I219 HydrophobicContact CG2-CG2 3.9Å
200S94.7Very high89.9Confident19 Ų1955.6 Ų55.613%0.13331%0.309CS..Hα-helixtrans-63.9-44.4174.9-56.50000111.9V80 H196 L197 L198 Q202 T203V80-S200 WeakPolarHBondContact CG2-OG 3.48Å; H196-S200 WeakPolarHBondContact O-CB 3.37Å; H196-S200 PolarHBondContact O-N 3.28Å; H196-S200 PolarHBondContact O-OG 3.27Å; L197-S200 PolarHBondContact O-N 3.16Å; L198-S200 VanDerWaalsContact C-N 3.26Å; L198-S200 PolarHBondContact O-N 3.01Å; S200-Q202 VanDerWaalsContact C-N 3.3Å; S200-Q202 PolarHBondContact O-N 3.2Å; S200-T203 WeakPolarHBondContact O-CB 3.39Å; S200-T203 PolarHBondContact O-N 2.97Å; S200-T203 VanDerWaalsContact O-N 3.12Å; S200-T203 PolarHBondContact O-OG1 3.2Å
201A93Very high89.5Confident31 Ų3156.5 Ų56.526%0.25631%0.313SS..Hα-helixtrans-62.3-37.6178.700000112.2F77 L197 L198 T203 F204F77-A201 HydrophobicContact CE1-CB 3.97Å; F77-A201 HydrophobicContact CZ-CB 4.04Å; L197-A201 VanDerWaalsContact O-CB 3.3Å; L197-A201 WeakPolarHBondContact O-CB 3.32Å; L197-A201 PolarHBondContact O-N 3.49Å; L198-A201 PolarHBondContact O-N 3.46Å; L198-A201 VanDerWaalsContact O-N 3.15Å; A201-T203 PolarHBondContact O-N 3.32Å; A201-F204 PolarHBondContact O-N 2.95Å; A201-F204 VanDerWaalsContact O-N 3.12Å
202Q91.4Very high89.3Confident23 Ų2354.7 Ų54.711%0.10730%0.304CS..Hα-helixtrans-59.6-31.3176.6-71174.9-50.200112.2L198 V199 S200 F204 I205 N212 S215L198-Q202 HydrophobicContact CD1-CG 4.5Å; L198-Q202 VanDerWaalsContact O-CG 3.32Å; L198-Q202 WeakPolarHBondContact O-CG 3.48Å; L198-Q202 PolarHBondContact O-N 2.67Å; V199-Q202 PolarHBondContact O-N 3.09Å; S200-Q202 VanDerWaalsContact C-N 3.3Å; S200-Q202 PolarHBondContact O-N 3.2Å; Q202-F204 PolarHBondContact O-N 3.48Å; Q202-I205 PolarHBondContact O-N 3.48Å; Q202-N212 PolarHBondContact O-ND2 3.39Å; Q202-N212 VanDerWaalsContact O-ND2 3.09Å; Q202-S215 PolarHBondContact NE2-OG 3.45Å
203T88.9Confident89.1Confident68 Ų6856 Ų5642%0.41731%0.311SS..THydrogen-bonded Turntrans-67.3-20.3178.4700000114M162 V199 S200 A201 I205M162-T203 HydrophobicContact CE-CG2 4.05Å; V199-T203 PolarHBondContact O-N 2.85Å; S200-T203 WeakPolarHBondContact O-CB 3.39Å; S200-T203 PolarHBondContact O-N 2.97Å; S200-T203 VanDerWaalsContact O-N 3.12Å; S200-T203 PolarHBondContact O-OG1 3.2Å; A201-T203 PolarHBondContact O-N 3.32Å; T203-I205 VanDerWaalsContact C-N 3.3Å; T203-I205 PolarHBondContact O-N 3.45Å
204F87.1Confident88.9Confident70 Ų7058.9 Ų58.931%0.30733%0.329SS..THydrogen-bonded Turntrans-78.3-15177.9-56-46.4000113.6I73 A76 F77 A201 Q202 S206I73-F204 HydrophobicContact CG1-CD2 4.19Å; I73-F204 HydrophobicContact CG1-CE2 4.37Å; I73-F204 HydrophobicContact CG1-CG 4.31Å; I73-F204 HydrophobicContact CG2-CD2 4.4Å; I73-F204 HydrophobicContact CG2-CE2 4.16Å; A76-F204 HydrophobicContact CB-CE1 4.12Å; A76-F204 HydrophobicContact CB-CE2 4.45Å; A76-F204 HydrophobicContact CB-CZ 3.46Å; A76-F204 VanDerWaalsContact CB-CZ 3.46Å; F77-F204 HydrophobicContact CE1-CE2 4.05Å; F77-F204 HydrophobicContact CZ-CE2 4.26Å; A201-F204 PolarHBondContact O-N 2.95Å; A201-F204 VanDerWaalsContact O-N 3.12Å; Q202-F204 PolarHBondContact O-N 3.48Å; F204-S206 PolarHBondContact O-N 3.32Å; F204-S206 VanDerWaalsContact O-N 3.16Å
205I82.1Confident88.8Confident88 Ų8856.1 Ų56.145%0.45132%0.318SS..  trans-9273.5-175.5-54.7172.3000108.4Q202 T203 S207 Y208 N212Q202-I205 PolarHBondContact O-N 3.48Å; T203-I205 VanDerWaalsContact C-N 3.3Å; T203-I205 PolarHBondContact O-N 3.45Å; I205-S207 VanDerWaalsContact C-N 3.28Å; I205-S207 PolarHBondContact O-N 2.91Å; I205-Y208 HydrophobicContact CG2-CD2 3.87Å; I205-Y208 PolarHBondContact O-N 3.01Å; I205-N212 PolarHBondContact O-ND2 2.93Å
206S68Low88.7Confident61 Ų6155 Ų5543%0.42731%0.311SS..G310 helixtrans-63.6-26.7-173.759.90000114.2F204 Y208 Y209F204-S206 PolarHBondContact O-N 3.32Å; F204-S206 VanDerWaalsContact O-N 3.16Å; S206-Y208 PolarHBondContact O-N 2.97Å; S206-Y208 VanDerWaalsContact O-N 3.1Å; S206-Y209 WeakPolarHBondContact CB-OH 3.4Å; S206-Y209 WeakPolarHBondContact O-CD1 3.27Å; S206-Y209 WeakPolarHBondContact O-CD2 3.49Å; S206-Y209 VanDerWaalsContact O-CE1 3.27Å; S206-Y209 WeakPolarHBondContact O-CE1 3.3Å; S206-Y209 WeakPolarHBondContact O-CE2 3.49Å
207S72.1Confident88.7Confident100 Ų10057.7 Ų57.770%0.69932%0.323SS*.G310 helixtrans-66.9-14.4-177-53.90000115.1I205I205-S207 VanDerWaalsContact C-N 3.28Å; I205-S207 PolarHBondContact O-N 2.91Å
208Y77.1Confident88.7Confident141 Ų14160.2 Ų60.255%0.55334%0.336SS*.G310 helixtrans-129.445.9-173.4-59.9-75.9000113I205 S206 G210 I211 N212I205-Y208 HydrophobicContact CG2-CD2 3.87Å; I205-Y208 PolarHBondContact O-N 3.01Å; S206-Y208 PolarHBondContact O-N 2.97Å; S206-Y208 VanDerWaalsContact O-N 3.1Å; Y208-G210 VanDerWaalsContact C-N 3.29Å; Y208-G210 PolarHBondContact O-N 3.25Å; Y208-G210 VanDerWaalsContact O-N 3.16Å; Y208-I211 HydrophobicContact CD1-CD1 4Å; Y208-I211 HydrophobicContact CG-CD1 4.48Å; Y208-I211 PolarHBondContact O-N 3.21Å; Y208-I211 VanDerWaalsContact O-N 3.08Å; Y208-N212 PolarHBondContact O-N 3.23Å; Y208-N212 PolarHBondContact O-ND2 3.29Å
209Y78.3Confident88.8Confident80 Ų8057.1 Ų57.131%0.31432%0.319SS..Hα-helixtrans-46-48.4-178-58.7-69.6000113.3Y158 S206 I211 N212 L213Y158-Y209 HydrophobicContact CD1-CD1 4.09Å; Y158-Y209 AromaticContact CE1-CD1 3.72Å; Y158-Y209 HydrophobicContact CE1-CD1 3.72Å; Y158-Y209 HydrophobicContact CE1-CE1 4.43Å; Y158-Y209 HydrophobicContact CE2-CD1 4.35Å; Y158-Y209 WeakPolarHBondContact CE2-O 3.44Å; Y158-Y209 AromaticContact CZ-CD1 3.86Å; S206-Y209 WeakPolarHBondContact CB-OH 3.4Å; S206-Y209 WeakPolarHBondContact O-CD1 3.27Å; S206-Y209 WeakPolarHBondContact O-CD2 3.49Å; S206-Y209 VanDerWaalsContact O-CE1 3.27Å; S206-Y209 WeakPolarHBondContact O-CE1 3.3Å; S206-Y209 WeakPolarHBondContact O-CE2 3.49Å; Y209-I211 PolarHBondContact O-N 3.08Å; Y209-N212 PolarHBondContact O-N 3.49Å; Y209-L213 WeakPolarHBondContact O-CB 3.33Å; Y209-L213 PolarHBondContact O-N 3.18Å
210G84.6Confident88.9Confident52 Ų5257.7 Ų57.754%0.53632%0.322SS..Hα-helixtrans-61.6-43.4-179.500000114Y208 L213 V214Y208-G210 VanDerWaalsContact C-N 3.29Å; Y208-G210 PolarHBondContact O-N 3.25Å; Y208-G210 VanDerWaalsContact O-N 3.16Å; G210-L213 PolarHBondContact O-N 3.15Å; G210-V214 WeakPolarHBondContact O-CG2 3.28Å; G210-V214 PolarHBondContact O-N 3.41Å; G210-V214 VanDerWaalsContact O-N 3.08Å
211I88.1Confident89.1Confident114 Ų11461 Ų6159%0.58534%0.342SS*.Hα-helixtrans-68.9-42.7-179.6-60.3176.2000110.2Y208 Y209 L213 V214 S215Y208-I211 HydrophobicContact CD1-CD1 4Å; Y208-I211 HydrophobicContact CG-CD1 4.48Å; Y208-I211 PolarHBondContact O-N 3.21Å; Y208-I211 VanDerWaalsContact O-N 3.08Å; Y209-I211 PolarHBondContact O-N 3.08Å; I211-L213 VanDerWaalsContact C-N 3.33Å; I211-L213 PolarHBondContact O-N 2.95Å; I211-V214 PolarHBondContact O-N 3.47Å; I211-S215 WeakPolarHBondContact O-CB 3.44Å; I211-S215 PolarHBondContact O-N 3.35Å
212N91.1Very high89.3Confident13 Ų1365 Ų657%0.0736%0.358CS..Hα-helixtrans-63.4-40.6177.5-66.9-23.2000111.4Q202 I205 Y208 Y209 S215 A216Q202-N212 PolarHBondContact O-ND2 3.39Å; Q202-N212 VanDerWaalsContact O-ND2 3.09Å; I205-N212 PolarHBondContact O-ND2 2.93Å; Y208-N212 PolarHBondContact O-N 3.23Å; Y208-N212 PolarHBondContact O-ND2 3.29Å; Y209-N212 PolarHBondContact O-N 3.49Å; N212-S215 PolarHBondContact O-N 3Å; N212-A216 WeakPolarHBondContact O-CB 3.5Å; N212-A216 PolarHBondContact O-N 3.4Å
213L93.1Very high89.6Confident29 Ų2964.3 Ų64.315%0.15236%0.355CS..Hα-helixtrans-60.6-52.1176.4-168.957.5000111.2Y158 F161 M162 Y209 G210 I211 S215 A216 F217Y158-L213 HydrophobicContact CD2-CB 4.13Å; Y158-L213 HydrophobicContact CD2-CD1 4.34Å; Y158-L213 HydrophobicContact CD2-CD2 4.1Å; Y158-L213 HydrophobicContact CD2-CG 4.43Å; Y158-L213 HydrophobicContact CE2-CB 3.81Å; Y158-L213 HydrophobicContact CE2-CD1 4.25Å; Y158-L213 HydrophobicContact CE2-CG 4.44Å; F161-L213 HydrophobicContact CB-CD1 3.85Å; F161-L213 HydrophobicContact CB-CD2 4.13Å; M162-L213 HydrophobicContact CG-CD1 3.79Å; M162-L213 HydrophobicContact SD-CD1 3.4Å; M162-L213 WeakPolarHBondContact SD-CD1 3.47Å; Y209-L213 WeakPolarHBondContact O-CB 3.33Å; Y209-L213 PolarHBondContact O-N 3.18Å; G210-L213 PolarHBondContact O-N 3.15Å; I211-L213 VanDerWaalsContact C-N 3.33Å; I211-L213 PolarHBondContact O-N 2.95Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.18Å; L213-A216 PolarHBondContact O-N 3.29Å; L213-F217 HydrophobicContact CD1-CD2 4Å; L213-F217 HydrophobicContact CD1-CE2 3.74Å; L213-F217 HydrophobicContact CG-CD2 3.95Å; L213-F217 HydrophobicContact CG-CE2 3.93Å; L213-F217 WeakPolarHBondContact O-CD2 3.41Å; L213-F217 PolarHBondContact O-N 3.49Å
214V94.8Very high90Very high91 Ų9161.7 Ų61.755%0.55234%0.342SS*.Hα-helixtrans-59.3-43.9179.7171.60000110.4G210 I211 A216 F217 I218G210-V214 WeakPolarHBondContact O-CG2 3.28Å; G210-V214 PolarHBondContact O-N 3.41Å; G210-V214 VanDerWaalsContact O-N 3.08Å; I211-V214 PolarHBondContact O-N 3.47Å; V214-A216 PolarHBondContact O-N 2.92Å; V214-F217 PolarHBondContact O-N 2.87Å; V214-I218 HydrophobicContact CG1-CD1 4.05Å; V214-I218 WeakPolarHBondContact O-CG1 3.34Å; V214-I218 PolarHBondContact O-N 3.12Å
215S95Very high90.5Very high39 Ų3961.6 Ų61.627%0.27335%0.347SS..Hα-helixtrans-62.4-42.8176.9-170.60000112.4Q202 I211 N212 L213 F217 I218 I219Q202-S215 PolarHBondContact NE2-OG 3.45Å; I211-S215 WeakPolarHBondContact O-CB 3.44Å; I211-S215 PolarHBondContact O-N 3.35Å; N212-S215 PolarHBondContact O-N 3Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.18Å; S215-F217 VanDerWaalsContact C-N 3.34Å; S215-F217 PolarHBondContact O-N 3.48Å; S215-I218 WeakPolarHBondContact O-CB 3.48Å; S215-I218 PolarHBondContact O-N 3.42Å; S215-I219 WeakPolarHBondContact O-CG1 3.45Å; S215-I219 PolarHBondContact O-N 2.99Å
216A96.3Very high91.2Very high0 Ų061.7 Ų61.70%034%0.342CS..Hα-helixtrans-64-37.8176.800000111.9M162 V165 N212 L213 V214 I219 L220M162-A216 HydrophobicContact CE-CB 4.04Å; M162-A216 HydrophobicContact SD-CB 4.04Å; V165-A216 HydrophobicContact CG1-CB 3.92Å; N212-A216 WeakPolarHBondContact O-CB 3.5Å; N212-A216 PolarHBondContact O-N 3.4Å; L213-A216 PolarHBondContact O-N 3.29Å; V214-A216 PolarHBondContact O-N 2.92Å; A216-I219 PolarHBondContact O-N 3.15Å; A216-L220 WeakPolarHBondContact O-CB 3.29Å; A216-L220 PolarHBondContact O-N 3.36Å
217F97.4Very high92.6Very high64 Ų6458.9 Ų58.928%0.28132%0.323SS..Hα-helixtrans-65.6-37.7172-91.2-77.9000113.2F161 V165 L213 V214 S215 I219 L220 V221F161-F217 HydrophobicContact CB-CE2 4.11Å; F161-F217 HydrophobicContact CB-CZ 4.36Å; F161-F217 HydrophobicContact CD1-CE2 4.22Å; F161-F217 AromaticContact CD1-CZ 3.82Å; F161-F217 HydrophobicContact CD1-CZ 3.82Å; F161-F217 HydrophobicContact CG-CE2 4.45Å; F161-F217 HydrophobicContact CG-CZ 4.46Å; V165-F217 HydrophobicContact CG2-CD1 4.04Å; V165-F217 HydrophobicContact CG2-CD2 3.82Å; V165-F217 HydrophobicContact CG2-CE1 3.86Å; V165-F217 HydrophobicContact CG2-CE2 3.64Å; V165-F217 HydrophobicContact CG2-CG 4.01Å; V165-F217 HydrophobicContact CG2-CZ 3.65Å; L213-F217 HydrophobicContact CD1-CD2 4Å; L213-F217 HydrophobicContact CD1-CE2 3.74Å; L213-F217 HydrophobicContact CG-CD2 3.95Å; L213-F217 HydrophobicContact CG-CE2 3.93Å; L213-F217 WeakPolarHBondContact O-CD2 3.41Å; L213-F217 PolarHBondContact O-N 3.49Å; V214-F217 PolarHBondContact O-N 2.87Å; S215-F217 VanDerWaalsContact C-N 3.34Å; S215-F217 PolarHBondContact O-N 3.48Å; F217-I219 VanDerWaalsContact C-N 3.35Å; F217-L220 HydrophobicContact CD1-CD2 3.98Å; F217-L220 HydrophobicContact CE1-CD2 4.12Å; F217-L220 WeakPolarHBondContact O-CB 3.12Å; F217-L220 PolarHBondContact O-N 3.5Å; F217-V221 WeakPolarHBondContact O-CG2 3.32Å; F217-V221 PolarHBondContact O-N 3.26Å
218I97.8Very high93.7Very high95 Ų9558.3 Ų58.349%0.48731%0.308SS..Hα-helixtrans-61.5-46.9173.8-68.9164.9000109.6V214 S215 L220 V221 L222V214-I218 HydrophobicContact CG1-CD1 4.05Å; V214-I218 WeakPolarHBondContact O-CG1 3.34Å; V214-I218 PolarHBondContact O-N 3.12Å; S215-I218 WeakPolarHBondContact O-CB 3.48Å; S215-I218 PolarHBondContact O-N 3.42Å; I218-L220 VanDerWaalsContact C-N 3.3Å; I218-L220 PolarHBondContact O-N 3.03Å; I218-V221 PolarHBondContact O-N 3.41Å; I218-L222 HydrophobicContact CG2-CD1 3.93Å; I218-L222 HydrophobicContact CG2-CG 4.39Å; I218-L222 WeakPolarHBondContact O-CB 3.31Å; I218-L222 VanDerWaalsContact O-CG 3.28Å; I218-L222 WeakPolarHBondContact O-CG 3.32Å; I218-L222 PolarHBondContact O-N 3.39Å
219I97.8Very high94.5Very high21 Ų2156.6 Ų56.611%0.10830%0.303CS..Hα-helixtrans-60.3-42.5176.4-64167.9000110.6L169 L198 V199 S215 A216 F217 L222 M223L169-I219 HydrophobicContact CD2-CG2 4.19Å; L198-I219 HydrophobicContact CD2-CD1 3.75Å; L198-I219 HydrophobicContact CG-CD1 4.12Å; V199-I219 HydrophobicContact CG2-CB 4.37Å; V199-I219 HydrophobicContact CG2-CD1 3.75Å; V199-I219 HydrophobicContact CG2-CG2 3.9Å; S215-I219 WeakPolarHBondContact O-CG1 3.45Å; S215-I219 PolarHBondContact O-N 2.99Å; A216-I219 PolarHBondContact O-N 3.15Å; F217-I219 VanDerWaalsContact C-N 3.35Å; I219-L222 PolarHBondContact O-N 2.86Å; I219-M223 VanDerWaalsContact O-CB 3.29Å; I219-M223 WeakPolarHBondContact O-CB 3.42Å; I219-M223 PolarHBondContact O-N 3.46Å
220L98.4Very high95.2Very high12 Ų1253.7 Ų53.76%0.06329%0.294CS..Hα-helixtrans-57.1-49.7175.7176.669.5000112.1V165 L168 L169 F172 A216 F217 I218 M223 G224V165-L220 HydrophobicContact CG1-CB 4.28Å; V165-L220 HydrophobicContact CG2-CD2 4.12Å; L168-L220 HydrophobicContact CB-CD1 3.47Å; L168-L220 VanDerWaalsContact CB-CD1 3.47Å; L168-L220 HydrophobicContact CD1-CD1 4.43Å; L168-L220 HydrophobicContact CD1-CD2 4.17Å; L169-L220 HydrophobicContact CD2-CB 4.43Å; L169-L220 HydrophobicContact CD2-CD1 4.18Å; L169-L220 HydrophobicContact CG-CB 4.42Å; L169-L220 HydrophobicContact CG-CD1 3.87Å; F172-L220 HydrophobicContact CD2-CD1 3.79Å; F172-L220 HydrophobicContact CE2-CD1 3.51Å; F172-L220 HydrophobicContact CE2-CG 4.26Å; A216-L220 WeakPolarHBondContact O-CB 3.29Å; A216-L220 PolarHBondContact O-N 3.36Å; F217-L220 HydrophobicContact CD1-CD2 3.98Å; F217-L220 HydrophobicContact CE1-CD2 4.12Å; F217-L220 WeakPolarHBondContact O-CB 3.12Å; F217-L220 PolarHBondContact O-N 3.5Å; I218-L220 VanDerWaalsContact C-N 3.3Å; I218-L220 PolarHBondContact O-N 3.03Å; L220-M223 PolarHBondContact O-N 2.85Å; L220-G224 PolarHBondContact O-N 3.35Å
221V98.3Very high95.5Very high90 Ų9053.4 Ų53.455%0.54529%0.287SS..Hα-helixtrans-65.1-42.2-179.5171.40000111F217 I218 G224 T225F217-V221 WeakPolarHBondContact O-CG2 3.32Å; F217-V221 PolarHBondContact O-N 3.26Å; I218-V221 PolarHBondContact O-N 3.41Å; V221-G224 PolarHBondContact O-N 2.63Å; V221-T225 VanDerWaalsContact O-CB 3.29Å; V221-T225 WeakPolarHBondContact O-CB 3.3Å; V221-T225 PolarHBondContact O-N 3.29Å; V221-T225 PolarHBondContact O-OG1 2.81Å
222L98.1Very high95.5Very high114 Ų11450.5 Ų50.560%0.59728%0.284SS*.Hα-helixtrans-62.8-47.1176.9-69.6174000111.5I218 I219 T225 W226I218-L222 HydrophobicContact CG2-CD1 3.93Å; I218-L222 HydrophobicContact CG2-CG 4.39Å; I218-L222 WeakPolarHBondContact O-CB 3.31Å; I218-L222 VanDerWaalsContact O-CG 3.28Å; I218-L222 WeakPolarHBondContact O-CG 3.32Å; I218-L222 PolarHBondContact O-N 3.39Å; I219-L222 PolarHBondContact O-N 2.86Å; L222-T225 PolarHBondContact O-N 3.48Å; L222-W226 PolarHBondContact O-N 2.99Å
223M98.1Very high95.4Very high8 Ų850.5 Ų50.54%0.03929%0.288CS..Hα-helixtrans-68.9-37.7179.9-168.352.563.100111.9L169 F172 V176 T195 I219 L220 W226 A227L169-M223 HydrophobicContact CD2-CB 3.89Å; L169-M223 HydrophobicContact CD2-CG 4.17Å; F172-M223 HydrophobicContact CB-CB 4.36Å; F172-M223 HydrophobicContact CB-CG 3.65Å; V176-M223 HydrophobicContact CB-SD 4.46Å; V176-M223 HydrophobicContact CG2-SD 3.92Å; T195-M223 HydrophobicContact CG2-CE 4.15Å; I219-M223 VanDerWaalsContact O-CB 3.29Å; I219-M223 WeakPolarHBondContact O-CB 3.42Å; I219-M223 PolarHBondContact O-N 3.46Å; L220-M223 PolarHBondContact O-N 2.85Å; M223-W226 HydrophobicContact CE-CE3 4.18Å; M223-W226 PolarHBondContact O-N 2.89Å; M223-W226 HydrophobicContact SD-CE3 4.29Å; M223-A227 WeakPolarHBondContact O-CB 3.4Å; M223-A227 PolarHBondContact O-N 2.87Å
224G97.8Very high95.2Very high14 Ų1451.4 Ų51.414%0.14430%0.296CS..Hα-helixtrans-65.2-41.7174.100000112.8F172 L220 V221 W226 A227 F228F172-G224 VanDerWaalsContact CE2-CA 3.41Å; L220-G224 PolarHBondContact O-N 3.35Å; V221-G224 PolarHBondContact O-N 2.63Å; G224-W226 VanDerWaalsContact C-N 3.32Å; G224-W226 PolarHBondContact O-N 3.35Å; G224-A227 PolarHBondContact O-N 3.33Å; G224-F228 WeakPolarHBondContact O-CB 3.35Å; G224-F228 PolarHBondContact O-N 3.08Å
225T97Very high94.9Very high68 Ų6851.8 Ų51.842%0.41730%0.302SS..Hα-helixtrans-61.1-43.7173.9-59.90000110.7V221 L222 F228 F229V221-T225 VanDerWaalsContact O-CB 3.29Å; V221-T225 WeakPolarHBondContact O-CB 3.3Å; V221-T225 PolarHBondContact O-N 3.29Å; V221-T225 PolarHBondContact O-OG1 2.81Å; L222-T225 PolarHBondContact O-N 3.48Å; T225-F228 WeakPolarHBondContact O-CB 3.34Å; T225-F228 PolarHBondContact O-N 3.01Å; T225-F229 HydrophobicContact CG2-CD2 4Å; T225-F229 HydrophobicContact CG2-CE2 3.56Å; T225-F229 WeakPolarHBondContact O-CD2 3.25Å; T225-F229 PolarHBondContact O-N 3.25Å
226W96.8Very high94.4Very high89 Ų8958.8 Ų58.834%0.33732%0.322SS..Hα-helixtrans-64.4-47.6176-168.7-1.8000112V176 L188 I191 L222 M223 G224 F228 F229 V230V176-W226 HydrophobicContact CG2-CG 4.36Å; L188-W226 HydrophobicContact CD2-CH2 3.81Å; L188-W226 HydrophobicContact CD2-CZ2 3.41Å; L188-W226 VanDerWaalsContact CD2-CZ2 3.41Å; I191-W226 HydrophobicContact CD1-CH2 3.87Å; I191-W226 HydrophobicContact CG2-CH2 4.11Å; I191-W226 HydrophobicContact CG2-CZ3 3.78Å; L222-W226 PolarHBondContact O-N 2.99Å; M223-W226 HydrophobicContact CE-CE3 4.18Å; M223-W226 PolarHBondContact O-N 2.89Å; M223-W226 HydrophobicContact SD-CE3 4.29Å; G224-W226 VanDerWaalsContact C-N 3.32Å; G224-W226 PolarHBondContact O-N 3.35Å; W226-F228 PolarHBondContact O-N 3.37Å; W226-F229 PolarHBondContact O-N 3.5Å; W226-F229 VanDerWaalsContact O-N 3.13Å; W226-V230 VanDerWaalsContact CD1-CG2 3.49Å; W226-V230 WeakPolarHBondContact O-CG2 3.44Å; W226-V230 PolarHBondContact O-N 3.45Å
227A96.9Very high93.9Very high3 Ų360.8 Ų60.83%0.02534%0.336CS..Hα-helixtrans-56.8-38.8176.600000111.9F172 I175 V176 M223 G224 V230 A231F172-A227 HydrophobicContact CB-CB 3.93Å; F172-A227 HydrophobicContact CD1-CB 3.84Å; F172-A227 HydrophobicContact CG-CB 4.17Å; I175-A227 HydrophobicContact CB-CB 4.24Å; I175-A227 HydrophobicContact CD1-CB 4.27Å; I175-A227 HydrophobicContact CG2-CB 4.13Å; V176-A227 HydrophobicContact CG2-CB 4.28Å; M223-A227 WeakPolarHBondContact O-CB 3.4Å; M223-A227 PolarHBondContact O-N 2.87Å; G224-A227 PolarHBondContact O-N 3.33Å; A227-V230 PolarHBondContact O-N 2.86Å; A227-A231 VanDerWaalsContact O-CB 3.3Å; A227-A231 WeakPolarHBondContact O-CB 3.36Å; A227-A231 PolarHBondContact O-N 2.91Å
228F95.5Very high93.4Very high87 Ų8762 Ų6238%0.38235%0.346SS..Hα-helixtrans-59.3-49.3174.3175.3-100.7000112.4G224 T225 W226 A231 G232 G233G224-F228 WeakPolarHBondContact O-CB 3.35Å; G224-F228 PolarHBondContact O-N 3.08Å; T225-F228 WeakPolarHBondContact O-CB 3.34Å; T225-F228 PolarHBondContact O-N 3.01Å; W226-F228 PolarHBondContact O-N 3.37Å; F228-A231 PolarHBondContact O-N 3.47Å; F228-G232 PolarHBondContact O-N 3.13Å; F228-G233 WeakPolarHBondContact O-CA 3.13Å; F228-G233 PolarHBondContact O-N 3.16Å
229F94.3Very high92.8Very high106 Ų10664.1 Ų64.147%0.46535%0.351SS..Hα-helixtrans-65.1-40.3177.1-72.4-66.3000112.4T225 W226 A231 G232 G233T225-F229 HydrophobicContact CG2-CD2 4Å; T225-F229 HydrophobicContact CG2-CE2 3.56Å; T225-F229 WeakPolarHBondContact O-CD2 3.25Å; T225-F229 PolarHBondContact O-N 3.25Å; W226-F229 PolarHBondContact O-N 3.5Å; W226-F229 VanDerWaalsContact O-N 3.13Å; F229-A231 VanDerWaalsContact C-N 3.3Å; F229-A231 PolarHBondContact O-N 3.5Å; F229-G232 PolarHBondContact O-N 3.43Å; F229-G232 VanDerWaalsContact O-N 3.1Å; F229-G233 VanDerWaalsContact CD1-O 3.28Å; F229-G233 WeakPolarHBondContact CD1-O 3.33Å
230V92.9Very high92.2Very high18 Ų1865.2 Ų65.211%0.10936%0.357CS..Hα-helixtrans-62.5-37.9176.7163.60000111.7I175 D179 W226 A227 G232I175-V230 HydrophobicContact CG2-CG1 4.07Å; D179-V230 HydrophobicContact CB-CG1 3.33Å; W226-V230 VanDerWaalsContact CD1-CG2 3.49Å; W226-V230 WeakPolarHBondContact O-CG2 3.44Å; W226-V230 PolarHBondContact O-N 3.45Å; A227-V230 PolarHBondContact O-N 2.86Å; V230-G232 PolarHBondContact O-N 3.08Å
231A90.5Very high91.4Very high47 Ų4768.8 Ų68.839%0.38838%0.382SS..THydrogen-bonded Turntrans-71-8.8177.100000113.7R114 A227 F228 F229R114-A231 PolarHBondContact NH1-O 2.68Å; A227-A231 VanDerWaalsContact O-CB 3.3Å; A227-A231 WeakPolarHBondContact O-CB 3.36Å; A227-A231 PolarHBondContact O-N 2.91Å; F228-A231 PolarHBondContact O-N 3.47Å; F229-A231 VanDerWaalsContact C-N 3.3Å; F229-A231 PolarHBondContact O-N 3.5Å
232G87.8Confident90.8Very high52 Ų5270.7 Ų70.754%0.53639%0.388SS..THydrogen-bonded Turntrans1085179.500000114.5F228 F229 V230F228-G232 PolarHBondContact O-N 3.13Å; F229-G232 PolarHBondContact O-N 3.43Å; F229-G232 VanDerWaalsContact O-N 3.1Å; V230-G232 PolarHBondContact O-N 3.08Å
233G88.5Confident90.3Very high14 Ų1469.3 Ų69.314%0.14438%0.381CS..  trans-66.4152.9173.500000112.7F228 F229F228-G233 WeakPolarHBondContact O-CA 3.13Å; F228-G233 PolarHBondContact O-N 3.16Å; F229-G233 VanDerWaalsContact CD1-O 3.28Å; F229-G233 WeakPolarHBondContact CD1-O 3.33Å
234S90.2Very high89.2Confident47 Ų4774.7 Ų74.733%0.32942%0.418SS..  trans-153.6162.4174.564.50000110.9R236 S237 L238S234-R236 PolarHBondContact O-N 3.43Å; S234-R236 VanDerWaalsContact O-N 3.16Å; S234-S237 PolarHBondContact N-OG 2.99Å; S234-S237 PolarHBondContact O-N 2.9Å; S234-S237 PolarHBondContact O-OG 3.1Å; S234-S237 PolarHBondContact OG-N 3.15Å; S234-S237 VanDerWaalsContact OG-N 3.14Å; S234-S237 PolarHBondContact OG-OG 3.4Å; S234-L238 PolarHBondContact O-N 3.47Å
235C87.3Confident87.7Confident99 Ų9979.7 Ų79.767%0.66944%0.438SS*.Hα-helixtrans-56.7-32.1174-600000112.2K239C235-K239 WeakPolarHBondContact O-CB 2.87Å; C235-K239 PolarHBondContact O-N 3.01Å
236R85.9Confident85.8Confident186 Ų18679.3 Ų79.370%0.70243%0.433SS*.Hα-helixtrans-65.7-48.3173.9-177.1178.9174.4-175.9-3.4111.5S234 L238 K239 L240S234-R236 PolarHBondContact O-N 3.43Å; S234-R236 VanDerWaalsContact O-N 3.16Å; R236-L238 VanDerWaalsContact C-N 3.27Å; R236-L238 PolarHBondContact O-N 3.39Å; R236-K239 PolarHBondContact O-N 2.81Å; R236-L240 HydrophobicContact CG-CD1 4.01Å; R236-L240 HydrophobicContact CG-CG 4.47Å; R236-L240 WeakPolarHBondContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CG 3.09Å; R236-L240 PolarHBondContact O-N 2.75Å
237S85.6Confident83.6Confident42 Ų4283.3 Ų83.329%0.29445%0.453SS..Hα-helixtrans-61.4-37.5177.365.50000112.2S234 L240 C241S234-S237 PolarHBondContact N-OG 2.99Å; S234-S237 PolarHBondContact O-N 2.9Å; S234-S237 PolarHBondContact O-OG 3.1Å; S234-S237 PolarHBondContact OG-N 3.15Å; S234-S237 VanDerWaalsContact OG-N 3.14Å; S234-S237 PolarHBondContact OG-OG 3.4Å; S237-L240 PolarHBondContact O-N 3.09Å; S237-C241 WeakPolarHBondContact O-CB 3.48Å; S237-C241 PolarHBondContact O-N 3.26Å
238L85.7Confident81.4Confident91 Ų9187.8 Ų87.848%0.47648%0.476SS..Hα-helixtrans-66.3-45.3176.5-171.469.5000110.8S234 R236 L240 C241 L242S234-L238 PolarHBondContact O-N 3.47Å; R236-L238 VanDerWaalsContact C-N 3.27Å; R236-L238 PolarHBondContact O-N 3.39Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.16Å; L238-C241 PolarHBondContact O-N 3.25Å; L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 WeakPolarHBondContact O-CB 3.34Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 3.27Å
239K85.4Confident79.3Confident138 Ų13891.4 Ų91.460%0.649%0.492SS*.Hα-helixtrans-60.9-42.4175.7-173.5177.3-179.4-179.40111.9C235 R236 L242 L243C235-K239 WeakPolarHBondContact O-CB 2.87Å; C235-K239 PolarHBondContact O-N 3.01Å; R236-K239 PolarHBondContact O-N 2.81Å; K239-L242 PolarHBondContact O-N 3.38Å; K239-L243 HydrophobicContact CD-CD1 4.39Å; K239-L243 HydrophobicContact CG-CD1 3.71Å; K239-L243 HydrophobicContact CG-CG 4.44Å; K239-L243 WeakPolarHBondContact O-CB 3.38Å; K239-L243 VanDerWaalsContact O-CG 3.27Å; K239-L243 WeakPolarHBondContact O-CG 3.45Å; K239-L243 PolarHBondContact O-N 3.12Å
240L84.4Confident76.9Confident44 Ų4493 Ų9323%0.2351%0.505CS..Hα-helixtrans-64.1-43.3177.3-74.3168.2000112R236 S237 L238 L243 C244 Q245R236-L240 HydrophobicContact CG-CD1 4.01Å; R236-L240 HydrophobicContact CG-CG 4.47Å; R236-L240 WeakPolarHBondContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CG 3.09Å; R236-L240 PolarHBondContact O-N 2.75Å; S237-L240 PolarHBondContact O-N 3.09Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.16Å; L240-L243 PolarHBondContact O-N 3.32Å; L240-C244 PolarHBondContact O-N 3.35Å; L240-C244 VanDerWaalsContact O-N 3.14Å; L240-Q245 HydrophobicContact CD2-CB 4.23Å; L240-Q245 PolarHBondContact O-N 3.19Å
241C83Confident74.7Confident87 Ų8796.3 Ų96.359%0.58852%0.521SS*.Hα-helixtrans-61.5-49175.4-177.80000111.6S237 L238 L243 C244S237-C241 WeakPolarHBondContact O-CB 3.48Å; S237-C241 PolarHBondContact O-N 3.26Å; L238-C241 PolarHBondContact O-N 3.25Å; C241-L243 VanDerWaalsContact C-N 3.32Å; C241-L243 PolarHBondContact O-N 3.47Å; C241-C244 PolarHBondContact O-N 3.29Å; C241-C244 VanDerWaalsContact O-N 3.07Å
242L84.8Confident72.4Confident131 Ų131104.1 Ų104.169%0.68654%0.542SS*.Hα-helixtrans-64.4-33.9179.9-73172.7000113.4L238 K239 C244L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 WeakPolarHBondContact O-CB 3.34Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 3.27Å; K239-L242 PolarHBondContact O-N 3.38Å; L242-C244 VanDerWaalsContact C-N 3.27Å
243L87.6Confident70.2Confident85 Ų85108.2 Ų108.245%0.44555%0.552SS.*THydrogen-bonded Turntrans-84.9-2.1177.2-67.1171.6000112.7K239 L240 C241 Q245K239-L243 HydrophobicContact CD-CD1 4.39Å; K239-L243 HydrophobicContact CG-CD1 3.71Å; K239-L243 HydrophobicContact CG-CG 4.44Å; K239-L243 WeakPolarHBondContact O-CB 3.38Å; K239-L243 VanDerWaalsContact O-CG 3.27Å; K239-L243 WeakPolarHBondContact O-CG 3.45Å; K239-L243 PolarHBondContact O-N 3.12Å; L240-L243 PolarHBondContact O-N 3.32Å; C241-L243 VanDerWaalsContact C-N 3.32Å; C241-L243 PolarHBondContact O-N 3.47Å; L243-Q245 HydrophobicContact CB-CB 3.94Å; L243-Q245 HydrophobicContact CB-CG 3.78Å; L243-Q245 PolarHBondContact O-N 3.25Å
244C75.3Confident67.8Low120 Ų120114.6 Ų114.681%0.81158%0.578SS**THydrogen-bonded Turntrans45.729.7-167.8-59.50000112.6L240 C241 L242 D246L240-C244 PolarHBondContact O-N 3.35Å; L240-C244 VanDerWaalsContact O-N 3.14Å; C241-C244 PolarHBondContact O-N 3.29Å; C241-C244 VanDerWaalsContact O-N 3.07Å; L242-C244 VanDerWaalsContact C-N 3.27Å; C244-D246 PolarHBondContact O-N 3.48Å
245Q66.8Low65.1Low120 Ų120123.7 Ų123.756%0.56161%0.605SS**  trans-91.613.1-174.3-87-177.5-10.600112.2L240 L243 K247L240-Q245 HydrophobicContact CD2-CB 4.23Å; L240-Q245 PolarHBondContact O-N 3.19Å; L243-Q245 HydrophobicContact CB-CB 3.94Å; L243-Q245 HydrophobicContact CB-CG 3.78Å; L243-Q245 PolarHBondContact O-N 3.25Å; Q245-K247 PolarHBondContact O-N 3.18Å
246D55.7Low62.7Low59 Ų59123.8 Ų123.832%0.31661%0.607SS.*  trans-74.477.7-177.8-153.2-14.9000110.7C244 D248 F249C244-D246 PolarHBondContact O-N 3.48Å; D246-D248 PolarHBondContact O-N 2.95Å; D246-D248 PolarHBondContact OD1-N 3.41Å; D246-F249 HydrophobicContact CB-CB 4.13Å; D246-F249 PolarHBondContact OD1-N 3.31Å; D246-F249 WeakPolarHBondContact OD2-CD2 3.07Å
247K51.9Low60.3Low174 Ų174129.8 Ų129.876%0.75763%0.629SS**SBendtrans-67.7-17.1170.3-68.4-174.7176.4-178.40111.6Q245Q245-K247 PolarHBondContact O-N 3.18Å
248D51.1Low59.1Low97 Ų97134.2 Ų134.252%0.51965%0.646SS.*SBendtrans-92-18.2-177.3-67.4-32.6000113.2D246 L250 L251 Y252D246-D248 PolarHBondContact O-N 2.95Å; D246-D248 PolarHBondContact OD1-N 3.41Å; D248-L250 PolarHBondContact O-N 2.7Å; D248-L251 PolarHBondContact O-N 3.28Å; D248-L251 VanDerWaalsContact O-N 3.09Å; D248-Y252 PolarHBondContact O-N 3.02Å
249F50.5Low57.7Low162 Ų162136.4 Ų136.471%0.71166%0.655SS**Hα-helixtrans-61.8-32.9172-145.2-92.5000112.4D246D246-F249 HydrophobicContact CB-CB 4.13Å; D246-F249 PolarHBondContact OD1-N 3.31Å; D246-F249 WeakPolarHBondContact OD2-CD2 3.07Å
250L44.8Very low56.1Low139 Ų139136.3 Ų136.373%0.72866%0.658SS**Hα-helixtrans-77.9-27.3173.4-70.8171.1000112.8D248D248-L250 PolarHBondContact O-N 2.7Å
251L45.5Very low54.5Low88 Ų88141.8 Ų141.846%0.46168%0.683SS.*Hα-helixtrans-89.1-24.8-176.5-69.2169.4000113.4D248 N253 Q254D248-L251 PolarHBondContact O-N 3.28Å; D248-L251 VanDerWaalsContact O-N 3.09Å; L251-N253 PolarHBondContact O-N 3.47Å; L251-Q254 PolarHBondContact O-N 3.11Å
252Y42.1Very low52.7Low211 Ų211145.2 Ų145.283%0.82769%0.689SS**Hα-helixtrans-67.4-26.7173.7-161.9-98.8000112D248 Q254D248-Y252 PolarHBondContact O-N 3.02Å; Y252-Q254 VanDerWaalsContact C-N 3.33Å
253N41.3Very low50.5Low138 Ų138146.1 Ų146.174%0.73869%0.69SS**THydrogen-bonded Turntrans-84.2-4.1175.6-1389.7000113.8L251L251-N253 PolarHBondContact O-N 3.47Å
254Q38.4Very low47.9Very low148 Ų148150.5 Ų150.569%0.69271%0.707SS**THydrogen-bonded Turntrans-104.7-6.9177.9-81.1-166-38.800114.4L251 Y252L251-Q254 PolarHBondContact O-N 3.11Å; Y252-Q254 VanDerWaalsContact C-N 3.33Å
255R34.1Very low45.8Very low238 Ų238152.8 Ų152.890%0.89870%0.699SS**SBendtrans-104.516.2-178.1-91.3-173.7179.8177.71.4115.7
256S36.8Very low44Very low101 Ų101155.6 Ų155.671%0.70671%0.711SS**  trans-113.953.5166.574.70000112
257R36.2Very low43Very low312 Ų312164.4 Ų164.4100%1.17775%0.747SS**  trans-100.70157.1-88.8-171.5176.5-177-0.5108.8

Retrieved 257 of 257 residues in 962.5 ms (Link to these results)

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