A0A0D9QYG9_CHLSB Loading...

Cytoglobin

Probable multifunctional globin with a hexacoordinated heme iron required for the catalysis of various reactions depending on redox condition of the cell as well as oxygen availability. Has a nitric oxide dioxygenase (NOD) activity and is most probably involved in cell-mediated and oxygen-dependent nitric oxide consumption. By scavenging this second messenger may regulate several biological processes including endothelium-mediated vasodilation and vascular tone. Under normoxic conditions functions as a nitric oxide dioxygenase (NOD) but under hypoxic conditions the globin may switch its function to that of a nitrite (NO2) reductase (NiR), generating nitric oxide. Could also have peroxidase and superoxide dismutase activities, detoxifying reactive oxygen species and protecting cells against oxidative stress. Also binds dioxygen with low affinity and could function as an oxygen sensor but has probably no function as a respiratory oxygen carrier.

AlphaFold DB , UniProt , Accession A0A0D9QYG9, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene CYGB, Length 190 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
1M43.2Very low59.1Low243 Ų243116.9 Ų116.9100%1.19760%0.602SS**  0105.50-96.1152.9165.800107
2E51.2Low59.5Low197 Ų197123.1 Ų123.192%0.92161%0.611SS**PPolyproline II helixtrans-68.8129.9168.6-85.9173.1105.700108.4
3K49Very low59.4Low104 Ų104124.9 Ų124.945%0.45261%0.607SS.*PPolyproline II helixtrans-69.1140.5174-75.3179.8177.3172.80109.2E7 M8 E11K3-E7 HydrophobicContact CB-CB 4.44Å; K3-M8 HydrophobicContact CB-CG 3.86Å; K3-E11 VanDerWaalsContact CE-OE1 3.31Å; K3-E11 WeakPolarHBondContact CE-OE1 3.43Å; K3-E11 IonicContact NZ-OE1 2.94Å; K3-E11 PolarHBondContact NZ-OE1 2.8Å; K3-E11 IonicContact NZ-OE2 2.67Å; K3-E11 PolarHBondContact NZ-OE2 2.9Å
4V61Low59.4Low88 Ų88122.8 Ų122.853%0.53360%0.595SS.*PPolyproline II helixtrans-67143-179.3-172.60000108.5G6 E7 M8V4-G6 PolarHBondContact O-N 3.23Å; V4-E7 HydrophobicContact CB-CG 4.26Å; V4-E7 PolarHBondContact N-OE2 2.91Å; V4-E7 WeakPolarHBondContact O-CA 3.24Å; V4-E7 WeakPolarHBondContact O-CB 3.39Å; V4-E7 PolarHBondContact O-N 3.44Å; V4-M8 PolarHBondContact O-N 3Å
5P62.2Low59.5Low100 Ų100126.5 Ų126.565%0.64960%0.601SS**Hα-helixtrans-49.7-34.6-175.8-31.735.7000115.2M8 E9P5-M8 PolarHBondContact O-N 3.06Å; P5-E9 PolarHBondContact O-N 2.83Å; P5-E9 VanDerWaalsContact O-N 3.16Å
6G63.6Low60.2Low36 Ų36121.3 Ų121.337%0.37158%0.582SS.*Hα-helixtrans-68.6-34.6174.700000114.4V4 M8 E9 I10V4-G6 PolarHBondContact O-N 3.23Å; G6-M8 VanDerWaalsContact C-N 3.34Å; G6-E9 PolarHBondContact O-N 2.7Å; G6-I10 WeakPolarHBondContact O-CD1 3.34Å; G6-I10 VanDerWaalsContact O-CG1 3.22Å; G6-I10 WeakPolarHBondContact O-CG1 3.47Å; G6-I10 PolarHBondContact O-N 3.42Å
7E66.6Low60.7Low100 Ų100124 Ų12447%0.46759%0.594SS.*Hα-helixtrans-68.5-37.2175.3-64175.615300110.9K3 V4 I10 E11K3-E7 HydrophobicContact CB-CB 4.44Å; V4-E7 HydrophobicContact CB-CG 4.26Å; V4-E7 PolarHBondContact N-OE2 2.91Å; V4-E7 WeakPolarHBondContact O-CA 3.24Å; V4-E7 WeakPolarHBondContact O-CB 3.39Å; V4-E7 PolarHBondContact O-N 3.44Å; E7-I10 PolarHBondContact O-N 3.16Å; E7-E11 WeakPolarHBondContact O-CB 3.22Å; E7-E11 WeakPolarHBondContact O-CG 3.43Å; E7-E11 PolarHBondContact O-N 3.03Å
8M61.3Low62.1Low109 Ų109125.5 Ų125.554%0.53760%0.6SS.*Hα-helixtrans-66.9-37.2175.9-71.6178.240.500112.7K3 V4 P5 G6 R12K3-M8 HydrophobicContact CB-CG 3.86Å; V4-M8 PolarHBondContact O-N 3Å; P5-M8 PolarHBondContact O-N 3.06Å; G6-M8 VanDerWaalsContact C-N 3.34Å; M8-R12 VanDerWaalsContact O-CB 3.27Å; M8-R12 WeakPolarHBondContact O-CB 3.43Å; M8-R12 PolarHBondContact O-N 3.36Å
9E65.1Low63.7Low148 Ų148119.5 Ų119.569%0.69257%0.571SS**Hα-helixtrans-69.7-40.3174.7-76.4-171.5157.900112.4P5 G6 R12 R13P5-E9 PolarHBondContact O-N 2.83Å; P5-E9 VanDerWaalsContact O-N 3.16Å; G6-E9 PolarHBondContact O-N 2.7Å; E9-R12 PolarHBondContact O-N 3.03Å; E9-R13 WeakPolarHBondContact O-CB 3.49Å; E9-R13 PolarHBondContact O-N 2.95Å
10I65.1Low65.3Low99 Ų99114.3 Ų114.351%0.50855%0.548SS..Hα-helixtrans-61.1-49.5173.9-68.4164.5000109.8G6 E7 R12 R13 E14G6-I10 WeakPolarHBondContact O-CD1 3.34Å; G6-I10 VanDerWaalsContact O-CG1 3.22Å; G6-I10 WeakPolarHBondContact O-CG1 3.47Å; G6-I10 PolarHBondContact O-N 3.42Å; E7-I10 PolarHBondContact O-N 3.16Å; I10-R12 VanDerWaalsContact C-N 3.3Å; I10-R12 PolarHBondContact O-N 2.74Å; I10-R13 PolarHBondContact O-N 3.35Å; I10-R13 VanDerWaalsContact O-N 3.12Å; I10-E14 HydrophobicContact CG2-CG 4.38Å; I10-E14 WeakPolarHBondContact CG2-OE1 3.43Å; I10-E14 WeakPolarHBondContact O-CB 3.34Å; I10-E14 WeakPolarHBondContact O-CG 3.44Å; I10-E14 PolarHBondContact O-N 3.32Å
11E61.9Low66.7Low62 Ų62113.7 Ų113.729%0.2955%0.545SS..Hα-helixtrans-61.1-38176.7-76.5-176.2176.200112.8K3 E7 E14 R15K3-E11 VanDerWaalsContact CE-OE1 3.31Å; K3-E11 WeakPolarHBondContact CE-OE1 3.43Å; K3-E11 IonicContact NZ-OE1 2.94Å; K3-E11 PolarHBondContact NZ-OE1 2.8Å; K3-E11 IonicContact NZ-OE2 2.67Å; K3-E11 PolarHBondContact NZ-OE2 2.9Å; E7-E11 WeakPolarHBondContact O-CB 3.22Å; E7-E11 WeakPolarHBondContact O-CG 3.43Å; E7-E11 PolarHBondContact O-N 3.03Å; E11-E14 PolarHBondContact O-N 2.99Å; E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 WeakPolarHBondContact O-CG 3.35Å; E11-R15 PolarHBondContact O-N 3.44Å; E11-R15 IonicContact OE2-NH1 2.83Å
12R64.1Low69.1Low191 Ų191105.4 Ų105.472%0.72152%0.515SS*.Hα-helixtrans-66.5-38.7176-170.5178.9-175.7176.31.2111.6M8 E9 I10 R15 S16M8-R12 VanDerWaalsContact O-CB 3.27Å; M8-R12 WeakPolarHBondContact O-CB 3.43Å; M8-R12 PolarHBondContact O-N 3.36Å; E9-R12 PolarHBondContact O-N 3.03Å; I10-R12 VanDerWaalsContact C-N 3.3Å; I10-R12 PolarHBondContact O-N 2.74Å; R12-R15 PolarHBondContact O-N 3.22Å; R12-S16 PolarHBondContact O-N 3.25Å; R12-S16 VanDerWaalsContact O-N 3.08Å
13R58.6Low71.2Confident147 Ų14797.3 Ų97.356%0.55548%0.477SS*.Hα-helixtrans-71-35.5176.9-164.4179.6-168.1-175.45.9112.2E9 I10 R15 S16 K153E9-R13 WeakPolarHBondContact O-CB 3.49Å; E9-R13 PolarHBondContact O-N 2.95Å; I10-R13 PolarHBondContact O-N 3.35Å; I10-R13 VanDerWaalsContact O-N 3.12Å; R13-R15 VanDerWaalsContact C-N 3.33Å; R13-S16 WeakPolarHBondContact O-CB 3.48Å; R13-S16 PolarHBondContact O-N 3.49Å; R13-K153 PolarHBondContact O-NZ 3.11Å
14E58.2Low73.5Confident95 Ų9595.7 Ų95.744%0.44447%0.468SS..Hα-helixtrans-66.9-34.2173.4-75.9-172.4-161.600112.6I10 E11 R149I10-E14 HydrophobicContact CG2-CG 4.38Å; I10-E14 WeakPolarHBondContact CG2-OE1 3.43Å; I10-E14 WeakPolarHBondContact O-CB 3.34Å; I10-E14 WeakPolarHBondContact O-CG 3.44Å; I10-E14 PolarHBondContact O-N 3.32Å; E11-E14 PolarHBondContact O-N 2.99Å; E14-R149 IonicContact OE2-CZ 2.8Å; E14-R149 IonicContact OE2-NH1 3.83Å; E14-R149 PolarHBondContact OE2-NH1 3.39Å
15R61.5Low75.1Confident179 Ų17997.1 Ų97.168%0.67547%0.468SS*.SBendtrans-83.1-9.2174-68.4-169.9-52.8-107.30.2114.4E11 R12 R13E11-R15 WeakPolarHBondContact O-CB 3.5Å; E11-R15 WeakPolarHBondContact O-CG 3.35Å; E11-R15 PolarHBondContact O-N 3.44Å; E11-R15 IonicContact OE2-NH1 2.83Å; R12-R15 PolarHBondContact O-N 3.22Å; R13-R15 VanDerWaalsContact C-N 3.33Å
16S70.6Confident76.7Confident43 Ų4393.8 Ų93.830%0.30145%0.448SS..  trans-70.5135.4179-170.70000110.6R12 R13 E18 K153R12-S16 PolarHBondContact O-N 3.25Å; R12-S16 VanDerWaalsContact O-N 3.08Å; R13-S16 WeakPolarHBondContact O-CB 3.48Å; R13-S16 PolarHBondContact O-N 3.49Å; S16-E18 PolarHBondContact O-N 3.34Å; S16-E18 PolarHBondContact OG-N 3.44Å; S16-K153 WeakPolarHBondContact O-CE 3.36Å; S16-K153 PolarHBondContact O-NZ 3.34Å
17E69.4Low78.2Confident167 Ų16792 Ų9278%0.7843%0.43SS*.SBendtrans-70.5-16.5171.9-64.8-174.5162.800111.9
18E85.1Confident79.6Confident151 Ų15190.2 Ų90.271%0.70642%0.422SS*.SBendtrans-79.7139.6175.8-65.9178.4-178.900111.9S16 K153S16-E18 PolarHBondContact O-N 3.34Å; S16-E18 PolarHBondContact OG-N 3.44Å; E18-K153 PolarHBondContact O-NZ 2.86Å
19L93.1Very high81.1Confident11 Ų1188 Ų886%0.05842%0.421CS..PPolyproline II helixtrans-75.6127.4173.2-67.592.2000109.9E23 R24 V27 K153 L154 L157L19-E23 HydrophobicContact CB-CB 4.2Å; L19-E23 HydrophobicContact CD2-CB 4.35Å; L19-R24 HydrophobicContact CB-CG 3.62Å; L19-R24 HydrophobicContact CD2-CG 4.44Å; L19-R24 PolarHBondContact O-NH1 3.03Å; L19-V27 HydrophobicContact CD2-CG2 4Å; L19-K153 HydrophobicContact CD1-CB 4.21Å; L19-K153 HydrophobicContact CG-CB 4.01Å; L19-L154 HydrophobicContact CD2-CB 4.45Å; L19-L157 HydrophobicContact CD1-CD1 3.9Å
20S94.9Very high82.5Confident16 Ų1681.4 Ų81.411%0.11239%0.391CS..PPolyproline II helixtrans-63.6165.6166.265.40000112A22 E23 R24S20-A22 VanDerWaalsContact C-N 3.29Å; S20-A22 PolarHBondContact O-N 2.71Å; S20-E23 VanDerWaalsContact CB-OE2 3.24Å; S20-E23 WeakPolarHBondContact CB-OE2 3.21Å; S20-E23 PolarHBondContact N-OE2 2.83Å; S20-E23 PolarHBondContact O-N 2.82Å; S20-E23 WeakPolarHBondContact OG-CB 3.24Å; S20-E23 VanDerWaalsContact OG-CD 3.27Å; S20-E23 WeakPolarHBondContact OG-CG 3.33Å; S20-E23 PolarHBondContact OG-N 3.12Å; S20-E23 PolarHBondContact OG-OE2 3.08Å; S20-R24 WeakPolarHBondContact O-CG 3.4Å; S20-R24 PolarHBondContact O-N 2.99Å
21E94.6Very high83.9Confident101 Ų10177.1 Ų77.147%0.47237%0.368SS..Hα-helixtrans-58.5-40.1176.1-168.2-171.9158.700112.7R24 K25E21-R24 PolarHBondContact O-N 2.96Å; E21-K25 WeakPolarHBondContact O-CG 3.27Å; E21-K25 PolarHBondContact O-N 2.88Å; E21-K25 VanDerWaalsContact OE1-CE 3.24Å; E21-K25 WeakPolarHBondContact OE1-CE 3.34Å; E21-K25 IonicContact OE1-NZ 2.7Å; E21-K25 PolarHBondContact OE1-NZ 2.93Å
22A94.5Very high85.5Confident70 Ų7077 Ų7758%0.57938%0.377SS*.Hα-helixtrans-65-45.3177.100000111.6S20 R24 K25 A26S20-A22 VanDerWaalsContact C-N 3.29Å; S20-A22 PolarHBondContact O-N 2.71Å; A22-R24 PolarHBondContact O-N 3.47Å; A22-K25 PolarHBondContact O-N 2.61Å; A22-A26 WeakPolarHBondContact O-CB 3.31Å; A22-A26 PolarHBondContact O-N 3.49Å
23E95.6Very high86.8Confident26 Ų2674.1 Ų74.112%0.12137%0.367CS..Hα-helixtrans-62.7-41.9176.3-72.1165.3135.800111.4L19 S20 A26 V27 A150 K153L19-E23 HydrophobicContact CB-CB 4.2Å; L19-E23 HydrophobicContact CD2-CB 4.35Å; S20-E23 VanDerWaalsContact CB-OE2 3.24Å; S20-E23 WeakPolarHBondContact CB-OE2 3.21Å; S20-E23 PolarHBondContact N-OE2 2.83Å; S20-E23 PolarHBondContact O-N 2.82Å; S20-E23 WeakPolarHBondContact OG-CB 3.24Å; S20-E23 VanDerWaalsContact OG-CD 3.27Å; S20-E23 WeakPolarHBondContact OG-CG 3.33Å; S20-E23 PolarHBondContact OG-N 3.12Å; S20-E23 PolarHBondContact OG-OE2 3.08Å; E23-A26 PolarHBondContact O-N 3.26Å; E23-V27 WeakPolarHBondContact O-CG2 3.4Å; E23-V27 PolarHBondContact O-N 2.82Å; E23-A150 HydrophobicContact CB-CB 3.67Å; E23-A150 HydrophobicContact CG-CB 3.86Å; E23-K153 VanDerWaalsContact CD-NZ 3.32Å; E23-K153 WeakPolarHBondContact OE1-CD 3.45Å; E23-K153 WeakPolarHBondContact OE1-CE 3.32Å; E23-K153 IonicContact OE1-NZ 3.66Å; E23-K153 PolarHBondContact OE1-NZ 2.89Å; E23-K153 IonicContact OE2-NZ 3.59Å; E23-K153 PolarHBondContact OE2-NZ 3.34Å
24R96.2Very high88.4Confident70 Ų7067.3 Ų67.326%0.26434%0.342SS..Hα-helixtrans-59.8-47.6174.9-72-171.3-59.6-10512.3111.6L19 S20 E21 A22 A26 V27 Q28 L96L19-R24 HydrophobicContact CB-CG 3.62Å; L19-R24 HydrophobicContact CD2-CG 4.44Å; L19-R24 PolarHBondContact O-NH1 3.03Å; S20-R24 WeakPolarHBondContact O-CG 3.4Å; S20-R24 PolarHBondContact O-N 2.99Å; E21-R24 PolarHBondContact O-N 2.96Å; A22-R24 PolarHBondContact O-N 3.47Å; R24-A26 PolarHBondContact O-N 3.31Å; R24-V27 PolarHBondContact O-N 2.94Å; R24-Q28 WeakPolarHBondContact O-CB 3.11Å; R24-Q28 VanDerWaalsContact O-CG 3.24Å; R24-Q28 WeakPolarHBondContact O-CG 3.24Å; R24-Q28 PolarHBondContact O-N 3.08Å; R24-L96 WeakPolarHBondContact CD-O 3.49Å; R24-L96 HydrophobicContact CG-CB 3.98Å; R24-L96 HydrophobicContact CG-CD1 4.45Å
25K95.8Very high90.1Very high119 Ų11966.5 Ų66.552%0.51734%0.335SS..Hα-helixtrans-62.7-40.7178-74.2179.6-175.6169.10112.1E21 A22 Q28 A29E21-K25 WeakPolarHBondContact O-CG 3.27Å; E21-K25 PolarHBondContact O-N 2.88Å; E21-K25 VanDerWaalsContact OE1-CE 3.24Å; E21-K25 WeakPolarHBondContact OE1-CE 3.34Å; E21-K25 IonicContact OE1-NZ 2.7Å; E21-K25 PolarHBondContact OE1-NZ 2.93Å; A22-K25 PolarHBondContact O-N 2.61Å; K25-Q28 PolarHBondContact O-N 3.36Å; K25-A29 WeakPolarHBondContact O-CB 3.39Å; K25-A29 PolarHBondContact O-N 3.21Å
26A94.3Very high91.7Very high29 Ų2961.7 Ų61.724%0.2433%0.333CS..Hα-helixtrans-62.5-45.2176.500000111.9A22 E23 R24 T30A22-A26 WeakPolarHBondContact O-CB 3.31Å; A22-A26 PolarHBondContact O-N 3.49Å; E23-A26 PolarHBondContact O-N 3.26Å; R24-A26 PolarHBondContact O-N 3.31Å; A26-T30 PolarHBondContact O-N 3.01Å; A26-T30 VanDerWaalsContact O-N 3.08Å; A26-T30 PolarHBondContact O-OG1 3.48Å
27V95.4Very high92.8Very high0 Ų064.5 Ų64.50%035%0.345CS..Hα-helixtrans-61.4-46.9174.3165.60000111L19 E23 R24 A29 T30 W31 V93 L96 A150 W151 L154L19-V27 HydrophobicContact CD2-CG2 4Å; E23-V27 WeakPolarHBondContact O-CG2 3.4Å; E23-V27 PolarHBondContact O-N 2.82Å; R24-V27 PolarHBondContact O-N 2.94Å; V27-A29 PolarHBondContact O-N 3.12Å; V27-T30 PolarHBondContact O-N 2.85Å; V27-T30 PolarHBondContact O-OG1 3.45Å; V27-T30 VanDerWaalsContact O-OG1 3.12Å; V27-W31 WeakPolarHBondContact O-CB 3.35Å; V27-W31 PolarHBondContact O-N 3.34Å; V27-V93 HydrophobicContact CG1-CG1 4.08Å; V27-V93 HydrophobicContact CG1-CG2 4.32Å; V27-L96 HydrophobicContact CG1-CD1 3.9Å; V27-A150 HydrophobicContact CG2-CB 3.73Å; V27-W151 HydrophobicContact CG2-CG 4.44Å; V27-L154 HydrophobicContact CG1-CD2 3.72Å
28Q96.5Very high93.9Very high61 Ų6158.3 Ų58.329%0.28532%0.32SS..Hα-helixtrans-62.5-43-180-74.8173-28.200112.3R24 K25 A32 V93R24-Q28 WeakPolarHBondContact O-CB 3.11Å; R24-Q28 VanDerWaalsContact O-CG 3.24Å; R24-Q28 WeakPolarHBondContact O-CG 3.24Å; R24-Q28 PolarHBondContact O-N 3.08Å; K25-Q28 PolarHBondContact O-N 3.36Å; Q28-A32 WeakPolarHBondContact O-CB 3.21Å; Q28-A32 PolarHBondContact O-N 2.92Å; Q28-V93 HydrophobicContact CB-CG1 4.39Å; Q28-V93 HydrophobicContact CG-CG1 3.77Å; Q28-V93 WeakPolarHBondContact CG-O 3.47Å; Q28-V93 PolarHBondContact NE2-O 3.47Å
29A93.6Very high94.4Very high62 Ų6254.9 Ų54.951%0.51230%0.304SS..Hα-helixtrans-65.6-44.117900000112.5K25 V27K25-A29 WeakPolarHBondContact O-CB 3.39Å; K25-A29 PolarHBondContact O-N 3.21Å; V27-A29 PolarHBondContact O-N 3.12Å
30T92.7Very high94.4Very high11 Ų1159.4 Ų59.47%0.06733%0.328CS..Hα-helixtrans-70-40.217748.20000111.8A26 V27 A32 R33 L34 F139 T147 W151A26-T30 PolarHBondContact O-N 3.01Å; A26-T30 VanDerWaalsContact O-N 3.08Å; A26-T30 PolarHBondContact O-OG1 3.48Å; V27-T30 PolarHBondContact O-N 2.85Å; V27-T30 PolarHBondContact O-OG1 3.45Å; V27-T30 VanDerWaalsContact O-OG1 3.12Å; T30-A32 PolarHBondContact O-N 2.92Å; T30-R33 PolarHBondContact O-N 3.08Å; T30-L34 PolarHBondContact O-N 3.02Å; T30-F139 WeakPolarHBondContact O-CZ 2.96Å; T30-T147 HydrophobicContact CG2-CG2 4.01Å; T30-W151 PolarHBondContact OG1-NE1 2.91Å
31W95.5Very high94.4Very high8 Ų859.7 Ų59.73%0.0333%0.329CS..Hα-helixtrans-61-42.9174.6178.4-96.9000112.9V27 R33 L34 Y35 M86 L89 N90 V93 W151V27-W31 WeakPolarHBondContact O-CB 3.35Å; V27-W31 PolarHBondContact O-N 3.34Å; W31-R33 PolarHBondContact O-N 3.35Å; W31-L34 HydrophobicContact CE3-CD1 4.49Å; W31-L34 WeakPolarHBondContact O-CB 3.25Å; W31-L34 PolarHBondContact O-N 3.35Å; W31-Y35 AromaticContact CZ2-CD2 3.95Å; W31-Y35 HydrophobicContact CZ2-CD2 3.95Å; W31-Y35 WeakPolarHBondContact O-CB 3.19Å; W31-Y35 PolarHBondContact O-N 2.93Å; W31-M86 HydrophobicContact CH2-CE 3.76Å; W31-M86 HydrophobicContact CH2-SD 3.93Å; W31-M86 HydrophobicContact CZ2-CE 4.2Å; W31-M86 HydrophobicContact CZ3-CE 4.4Å; W31-L89 HydrophobicContact CH2-CB 3.32Å; W31-L89 HydrophobicContact CH2-CD1 3.84Å; W31-L89 HydrophobicContact CH2-CG 4.23Å; W31-L89 HydrophobicContact CZ2-CB 3.63Å; W31-L89 HydrophobicContact CZ3-CB 4.05Å; W31-L89 HydrophobicContact CZ3-CD1 4.17Å; W31-N90 HydrophobicContact CZ2-CB 4.09Å; W31-N90 PolarHBondContact NE1-OD1 3.09Å; W31-V93 HydrophobicContact CB-CB 4.49Å; W31-V93 HydrophobicContact CB-CG1 3.71Å; W31-V93 HydrophobicContact CB-CG2 4.45Å; W31-V93 HydrophobicContact CD2-CB 4.33Å; W31-V93 HydrophobicContact CD2-CG1 4.47Å; W31-V93 HydrophobicContact CD2-CG2 3.93Å; W31-V93 HydrophobicContact CE3-CG2 4.28Å; W31-V93 HydrophobicContact CG-CB 3.95Å; W31-V93 HydrophobicContact CG-CG1 3.64Å; W31-V93 HydrophobicContact CG-CG2 3.95Å; W31-W151 AromaticContact CE3-CH2 3.77Å; W31-W151 HydrophobicContact CE3-CH2 3.77Å; W31-W151 HydrophobicContact CZ3-CH2 4.38Å
32A95.1Very high94.5Very high59 Ų5955 Ų5549%0.48831%0.307SS..Hα-helixtrans-57.3-36.4-179.300000112.4Q28 T30 A36Q28-A32 WeakPolarHBondContact O-CB 3.21Å; Q28-A32 PolarHBondContact O-N 2.92Å; T30-A32 PolarHBondContact O-N 2.92Å; A32-A36 PolarHBondContact O-N 2.74Å; A32-A36 VanDerWaalsContact O-N 3.13Å
33R91.8Very high94.7Very high131 Ų13151.9 Ų51.949%0.49428%0.281SS..Hα-helixtrans-68.5-40.6176-69.1170.266.8-169.9-5.3112.1T30 W31 A36 F139 D142T30-R33 PolarHBondContact O-N 3.08Å; W31-R33 PolarHBondContact O-N 3.35Å; R33-A36 WeakPolarHBondContact O-CB 3.15Å; R33-F139 HydrophobicContact CB-CE1 3.85Å; R33-F139 HydrophobicContact CB-CZ 3.73Å; R33-F139 HydrophobicContact CG-CE1 4.48Å; R33-D142 IonicContact NH1-OD2 3.25Å; R33-D142 PolarHBondContact NH1-OD2 3.04Å
34L91.6Very high94.7Very high5 Ų552.9 Ų52.93%0.02629%0.294CS..Hα-helixtrans-65.6-43.7174.3-67171.5000111.8T30 W31 A36 N37 V41 V135 E138 F139 W151T30-L34 PolarHBondContact O-N 3.02Å; W31-L34 HydrophobicContact CE3-CD1 4.49Å; W31-L34 WeakPolarHBondContact O-CB 3.25Å; W31-L34 PolarHBondContact O-N 3.35Å; L34-A36 PolarHBondContact O-N 2.82Å; L34-N37 CarbonylContact O-C 3.2Å; L34-N37 PolarHBondContact O-N 3.19Å; L34-V41 HydrophobicContact CB-CG1 4.39Å; L34-V41 HydrophobicContact CD2-CG1 4.15Å; L34-V41 HydrophobicContact CD2-CG2 4.49Å; L34-V135 HydrophobicContact CD1-CB 4.38Å; L34-V135 HydrophobicContact CD1-CG1 4.38Å; L34-V135 HydrophobicContact CD1-CG2 3.53Å; L34-E138 HydrophobicContact CD2-CB 4.27Å; L34-E138 HydrophobicContact CD2-CG 4.01Å; L34-F139 HydrophobicContact CD1-CE2 3.95Å; L34-F139 HydrophobicContact CD2-CE2 3.69Å; L34-F139 HydrophobicContact CD2-CZ 3.95Å; L34-F139 HydrophobicContact CG-CE2 3.6Å; L34-F139 HydrophobicContact CG-CZ 3.84Å; L34-W151 HydrophobicContact CD1-CH2 4Å; L34-W151 HydrophobicContact CD1-CZ2 4.26Å
35Y95.4Very high94.8Very high78 Ų7849.9 Ų49.931%0.30628%0.283SS..Hα-helixtrans-70.5-22.4-175.8-164.6-107.5000112.9W31 N37 C38 M86 N90W31-Y35 AromaticContact CZ2-CD2 3.95Å; W31-Y35 HydrophobicContact CZ2-CD2 3.95Å; W31-Y35 WeakPolarHBondContact O-CB 3.19Å; W31-Y35 PolarHBondContact O-N 2.93Å; Y35-N37 PolarHBondContact O-N 2.8Å; Y35-C38 HydrophobicContact CD2-CB 3.57Å; Y35-C38 HydrophobicContact CE2-CB 3.69Å; Y35-C38 HydrophobicContact CG-CB 4.17Å; Y35-C38 WeakPolarHBondContact O-CB 3.38Å; Y35-C38 PolarHBondContact O-N 2.96Å; Y35-C38 VanDerWaalsContact O-N 3.08Å; Y35-M86 HydrophobicContact CD2-CB 4.37Å; Y35-M86 HydrophobicContact CD2-CE 4.49Å; Y35-M86 HydrophobicContact CE2-CB 4.13Å; Y35-N90 HydrophobicContact CD1-CB 4.49Å; Y35-N90 WeakPolarHBondContact CD1-OD1 3.31Å; Y35-N90 HydrophobicContact CD2-CB 3.84Å; Y35-N90 HydrophobicContact CE1-CB 4.23Å; Y35-N90 HydrophobicContact CE2-CB 3.56Å; Y35-N90 HydrophobicContact CG-CB 4.32Å
36A94.9Very high94.9Very high77 Ų7744.2 Ų44.264%0.63626%0.258SS*.THydrogen-bonded Turntrans-56.4-31.4171.700000112.8A32 R33 L34A32-A36 PolarHBondContact O-N 2.74Å; A32-A36 VanDerWaalsContact O-N 3.13Å; R33-A36 WeakPolarHBondContact O-CB 3.15Å; L34-A36 PolarHBondContact O-N 2.82Å
37N92.6Very high95.1Very high103 Ų10343.4 Ų43.455%0.55125%0.25SS*.THydrogen-bonded Turntrans-116.343.2174.4-61.9-46.7000110.8L34 Y35 E39 D40 V41L34-N37 CarbonylContact O-C 3.2Å; L34-N37 PolarHBondContact O-N 3.19Å; Y35-N37 PolarHBondContact O-N 2.8Å; N37-E39 VanDerWaalsContact C-N 3.31Å; N37-E39 PolarHBondContact O-N 2.97Å; N37-E39 VanDerWaalsContact O-N 3.17Å; N37-D40 PolarHBondContact O-N 2.99Å; N37-V41 HydrophobicContact CB-CG2 4.19Å; N37-V41 WeakPolarHBondContact O-CB 3.17Å; N37-V41 WeakPolarHBondContact O-CG2 3.4Å; N37-V41 PolarHBondContact O-N 3.35Å
38C93.1Very high95.2Very high37 Ų3746.8 Ų46.825%0.2526%0.263CS..Hα-helixtrans-56.7-37.6-165.358.70000114.8Y35 G42 M86Y35-C38 HydrophobicContact CD2-CB 3.57Å; Y35-C38 HydrophobicContact CE2-CB 3.69Å; Y35-C38 HydrophobicContact CG-CB 4.17Å; Y35-C38 WeakPolarHBondContact O-CB 3.38Å; Y35-C38 PolarHBondContact O-N 2.96Å; Y35-C38 VanDerWaalsContact O-N 3.08Å; C38-G42 PolarHBondContact O-N 3.21Å; C38-M86 HydrophobicContact CB-CB 4.08Å; C38-M86 HydrophobicContact CB-CE 4.32Å; C38-M86 HydrophobicContact CB-CG 4.46Å; C38-M86 WeakPolarHBondContact O-CG 3.46Å
39E94.4Very high95.3Very high78 Ų7844.4 Ų44.436%0.36425%0.252SS..Hα-helixtrans-66.6-51.6-180-174.3171.8172.300111.3N37 G42 V43 R79N37-E39 VanDerWaalsContact C-N 3.31Å; N37-E39 PolarHBondContact O-N 2.97Å; N37-E39 VanDerWaalsContact O-N 3.17Å; E39-G42 PolarHBondContact O-N 3.45Å; E39-V43 WeakPolarHBondContact O-CB 3.46Å; E39-V43 VanDerWaalsContact O-CG2 3.26Å; E39-V43 WeakPolarHBondContact O-CG2 3.39Å; E39-V43 PolarHBondContact O-N 3.04Å; E39-R79 VanDerWaalsContact CD-NH2 3.26Å; E39-R79 IonicContact OE1-CZ 3.14Å; E39-R79 IonicContact OE1-NE 2.81Å; E39-R79 PolarHBondContact OE1-NE 2.96Å; E39-R79 IonicContact OE1-NH2 2.8Å; E39-R79 PolarHBondContact OE1-NH2 2.88Å
40D93.4Very high95.5Very high107 Ų10741.5 Ų41.557%0.57223%0.228SC*.Hα-helixtrans-66.4-43-177.2-66.1-25000111.6N37 V43 A44 R79N37-D40 PolarHBondContact O-N 2.99Å; D40-V43 PolarHBondContact O-N 2.76Å; D40-A44 WeakPolarHBondContact O-CB 3.49Å; D40-A44 PolarHBondContact O-N 3.38Å; D40-R79 IonicContact OD1-NH2 3.04Å
41V95.4Very high95.7Very high21 Ų2143.9 Ų43.913%0.12724%0.242CC..Hα-helixtrans-61.9-45.8174.6172.30000110.8L34 N37 V43 A44 I45 M86L34-V41 HydrophobicContact CB-CG1 4.39Å; L34-V41 HydrophobicContact CD2-CG1 4.15Å; L34-V41 HydrophobicContact CD2-CG2 4.49Å; N37-V41 HydrophobicContact CB-CG2 4.19Å; N37-V41 WeakPolarHBondContact O-CB 3.17Å; N37-V41 WeakPolarHBondContact O-CG2 3.4Å; N37-V41 PolarHBondContact O-N 3.35Å; V41-V43 VanDerWaalsContact C-N 3.33Å; V41-V43 PolarHBondContact O-N 2.8Å; V41-A44 PolarHBondContact O-N 2.97Å; V41-I45 HydrophobicContact CG1-CD1 3.76Å; V41-I45 WeakPolarHBondContact O-CD1 3.41Å; V41-I45 VanDerWaalsContact O-CG1 3.27Å; V41-I45 WeakPolarHBondContact O-CG1 3.41Å; V41-I45 PolarHBondContact O-N 3.17Å; V41-M86 HydrophobicContact CB-CE 4.25Å; V41-M86 HydrophobicContact CG1-CE 3.85Å
42G97.1Very high95.8Very high2 Ų247.8 Ų47.82%0.02126%0.264CS..Hα-helixtrans-62.9-39.2178.800000112.6C38 E39 L46 A82C38-G42 PolarHBondContact O-N 3.21Å; E39-G42 PolarHBondContact O-N 3.45Å; G42-L46 WeakPolarHBondContact O-CG 3.09Å; G42-L46 PolarHBondContact O-N 3.28Å; G42-L46 VanDerWaalsContact O-N 3.08Å; G42-A82 VanDerWaalsContact C-CB 3.42Å
43V97.7Very high95.9Very high6 Ų648.5 Ų48.54%0.03626%0.256CS..Hα-helixtrans-66.4-47.4175.8168.90000110.3E39 D40 V41 I45 L46 V47 E73 L78 R79 A82E39-V43 WeakPolarHBondContact O-CB 3.46Å; E39-V43 VanDerWaalsContact O-CG2 3.26Å; E39-V43 WeakPolarHBondContact O-CG2 3.39Å; E39-V43 PolarHBondContact O-N 3.04Å; D40-V43 PolarHBondContact O-N 2.76Å; V41-V43 VanDerWaalsContact C-N 3.33Å; V41-V43 PolarHBondContact O-N 2.8Å; V43-I45 VanDerWaalsContact C-N 3.32Å; V43-I45 PolarHBondContact O-N 3.39Å; V43-L46 PolarHBondContact O-N 3.42Å; V43-L46 VanDerWaalsContact O-N 3.17Å; V43-V47 HydrophobicContact CG1-CG2 4.01Å; V43-V47 WeakPolarHBondContact O-CB 3.49Å; V43-V47 VanDerWaalsContact O-CG2 3.23Å; V43-V47 WeakPolarHBondContact O-CG2 3.22Å; V43-V47 PolarHBondContact O-N 3.37Å; V43-E73 HydrophobicContact CG1-CB 4.18Å; V43-E73 HydrophobicContact CG1-CG 3.89Å; V43-L78 HydrophobicContact CB-CD2 4.4Å; V43-L78 HydrophobicContact CG1-CD2 4.06Å; V43-L78 HydrophobicContact CG2-CD2 4.15Å; V43-R79 HydrophobicContact CG2-CB 4.37Å; V43-R79 HydrophobicContact CG2-CG 3.93Å; V43-A82 HydrophobicContact CG2-CB 3.87Å
44A96.3Very high96.2Very high46 Ų4645.6 Ų45.638%0.3825%0.254SS..Hα-helixtrans-57.5-44177.900000112.1D40 V41 R48D40-A44 WeakPolarHBondContact O-CB 3.49Å; D40-A44 PolarHBondContact O-N 3.38Å; V41-A44 PolarHBondContact O-N 2.97Å; A44-R48 WeakPolarHBondContact O-CB 3.47Å; A44-R48 PolarHBondContact O-N 3.27Å
45I97.4Very high96.5Very high7 Ų748.3 Ų48.34%0.03627%0.273CS..Hα-helixtrans-58.9-51.1174.9-71162.2000110.9V41 V43 R48 F49 M86 L127 V130 I131 V134V41-I45 HydrophobicContact CG1-CD1 3.76Å; V41-I45 WeakPolarHBondContact O-CD1 3.41Å; V41-I45 VanDerWaalsContact O-CG1 3.27Å; V41-I45 WeakPolarHBondContact O-CG1 3.41Å; V41-I45 PolarHBondContact O-N 3.17Å; V43-I45 VanDerWaalsContact C-N 3.32Å; V43-I45 PolarHBondContact O-N 3.39Å; I45-R48 PolarHBondContact O-N 3.3Å; I45-F49 WeakPolarHBondContact O-CB 3.46Å; I45-F49 PolarHBondContact O-N 3.08Å; I45-M86 HydrophobicContact CD1-SD 4.24Å; I45-L127 HydrophobicContact CG2-CD1 3.82Å; I45-V130 HydrophobicContact CG2-CG1 4.38Å; I45-I131 HydrophobicContact CD1-CG1 4.24Å; I45-I131 HydrophobicContact CG2-CG1 3.72Å; I45-V134 HydrophobicContact CD1-CG1 4.48Å; I45-V134 HydrophobicContact CG1-CB 4.02Å; I45-V134 HydrophobicContact CG1-CG1 3.95Å; I45-V134 HydrophobicContact CG1-CG2 3.9Å
46L98.2Very high96.6Very high1 Ų144.7 Ų44.71%0.00526%0.26CS..Hα-helixtrans-68.9-38.4-176.3-73-169.6000112.5G42 V43 F49 F50 L78 H81 A82 L127G42-L46 WeakPolarHBondContact O-CG 3.09Å; G42-L46 PolarHBondContact O-N 3.28Å; G42-L46 VanDerWaalsContact O-N 3.08Å; V43-L46 PolarHBondContact O-N 3.42Å; V43-L46 VanDerWaalsContact O-N 3.17Å; L46-F49 WeakPolarHBondContact O-CB 3.45Å; L46-F49 PolarHBondContact O-N 3.35Å; L46-F50 HydrophobicContact CB-CD2 4.23Å; L46-F50 HydrophobicContact CB-CE2 3.99Å; L46-F50 HydrophobicContact CD1-CE2 4.45Å; L46-F50 HydrophobicContact CD2-CE2 4.32Å; L46-F50 HydrophobicContact CG-CE2 4.49Å; L46-F50 WeakPolarHBondContact O-CB 3.36Å; L46-F50 WeakPolarHBondContact O-CD2 3.44Å; L46-F50 WeakPolarHBondContact O-CG 3.4Å; L46-F50 PolarHBondContact O-N 2.85Å; L46-L78 HydrophobicContact CB-CD2 4.19Å; L46-L78 HydrophobicContact CB-CG 4.28Å; L46-L78 HydrophobicContact CD1-CG 4.42Å; L46-H81 HydrophobicContact CD1-CB 4.14Å; L46-A82 HydrophobicContact CD1-CB 3.9Å; L46-L127 HydrophobicContact CD2-CD1 4.04Å
47V98Very high96.7Very high11 Ų1141.8 Ų41.87%0.06723%0.233CC..Hα-helixtrans-62.6-49.2176.1170.60000110V43 F49 F50 V51 P69 M72 E73 L78V43-V47 HydrophobicContact CG1-CG2 4.01Å; V43-V47 WeakPolarHBondContact O-CB 3.49Å; V43-V47 VanDerWaalsContact O-CG2 3.23Å; V43-V47 WeakPolarHBondContact O-CG2 3.22Å; V43-V47 PolarHBondContact O-N 3.37Å; V47-F49 VanDerWaalsContact C-N 3.29Å; V47-F49 PolarHBondContact O-N 3.13Å; V47-F50 PolarHBondContact O-N 3.4Å; V47-V51 HydrophobicContact CG1-CG2 4.27Å; V47-V51 WeakPolarHBondContact O-CB 3.02Å; V47-V51 VanDerWaalsContact O-CG2 3.25Å; V47-V51 WeakPolarHBondContact O-CG2 3.38Å; V47-V51 PolarHBondContact O-N 3.05Å; V47-P69 HydrophobicContact CG1-CB 3.86Å; V47-M72 HydrophobicContact CG2-CB 4.21Å; V47-E73 HydrophobicContact CG1-CG 4.45Å; V47-E73 HydrophobicContact CG2-CB 4.49Å; V47-E73 HydrophobicContact CG2-CG 3.62Å; V47-L78 HydrophobicContact CG2-CD1 4.22Å; V47-L78 HydrophobicContact CG2-CD2 4.28Å
48R97.9Very high97Very high72 Ų7242.3 Ų42.327%0.27223%0.232SC..Hα-helixtrans-57.3-43.8175.2-175.9178-66.5-169.30111.8A44 I45 N52 V130 E137A44-R48 WeakPolarHBondContact O-CB 3.47Å; A44-R48 PolarHBondContact O-N 3.27Å; I45-R48 PolarHBondContact O-N 3.3Å; R48-N52 WeakPolarHBondContact O-CB 3.43Å; R48-N52 PolarHBondContact O-N 3.08Å; R48-N52 PolarHBondContact O-ND2 3.21Å; R48-V130 HydrophobicContact CB-CG1 4.09Å; R48-V130 HydrophobicContact CG-CG1 3.99Å; R48-E137 IonicContact CZ-OE1 3.96Å; R48-E137 IonicContact CZ-OE2 2.73Å; R48-E137 VanDerWaalsContact CZ-OE2 3.25Å; R48-E137 IonicContact NH1-OE1 2.61Å; R48-E137 PolarHBondContact NH1-OE1 3.2Å; R48-E137 IonicContact NH1-OE2 2.71Å; R48-E137 PolarHBondContact NH1-OE2 3.48Å; R48-E137 IonicContact NH2-OE1 2.88Å; R48-E137 IonicContact NH2-OE2 3.83Å; R48-E137 PolarHBondContact NH2-OE2 3.5Å
49F98.4Very high97.2Very high10 Ų1043.3 Ų43.34%0.04423%0.231CC..Hα-helixtrans-60.1-47.6176.5170.7-115.8000112.4I45 L46 V47 F53 A56 Y123 I126 L127 V130I45-F49 WeakPolarHBondContact O-CB 3.46Å; I45-F49 PolarHBondContact O-N 3.08Å; L46-F49 WeakPolarHBondContact O-CB 3.45Å; L46-F49 PolarHBondContact O-N 3.35Å; V47-F49 VanDerWaalsContact C-N 3.29Å; V47-F49 PolarHBondContact O-N 3.13Å; F49-F53 HydrophobicContact CD2-CB 4.42Å; F49-F53 AromaticContact CD2-CD2 3.93Å; F49-F53 HydrophobicContact CD2-CD2 3.93Å; F49-F53 HydrophobicContact CD2-CG 4.49Å; F49-F53 HydrophobicContact CE2-CB 4.21Å; F49-F53 HydrophobicContact CE2-CD2 4.28Å; F49-F53 HydrophobicContact CE2-CG 4.44Å; F49-F53 WeakPolarHBondContact O-CA 3.37Å; F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 WeakPolarHBondContact O-CD2 3.29Å; F49-F53 PolarHBondContact O-N 2.81Å; F49-A56 HydrophobicContact CD1-CB 4.44Å; F49-A56 HydrophobicContact CE1-CB 3.46Å; F49-A56 VanDerWaalsContact CE1-CB 3.46Å; F49-A56 HydrophobicContact CE2-CB 4.22Å; F49-A56 HydrophobicContact CZ-CB 3.32Å; F49-Y123 HydrophobicContact CE2-CD1 4.22Å; F49-Y123 AromaticContact CZ-CD1 3.83Å; F49-Y123 HydrophobicContact CZ-CD1 3.83Å; F49-Y123 HydrophobicContact CZ-CG 4.28Å; F49-I126 HydrophobicContact CD2-CG2 3.87Å; F49-I126 HydrophobicContact CE2-CB 4.11Å; F49-I126 HydrophobicContact CE2-CG2 3.63Å; F49-L127 HydrophobicContact CB-CD1 4.09Å; F49-L127 HydrophobicContact CD1-CD1 4.26Å; F49-L127 HydrophobicContact CD2-CB 4.38Å; F49-L127 HydrophobicContact CD2-CD1 4.39Å; F49-L127 HydrophobicContact CE2-CB 4.33Å; F49-L127 HydrophobicContact CG-CD1 4Å; F49-V130 HydrophobicContact CB-CG1 4.31Å; F49-V130 HydrophobicContact CB-CG2 4.36Å; F49-V130 HydrophobicContact CD2-CG2 4.34Å
50F98.4Very high97.4Very high1 Ų141 Ų410%0.00422%0.22CC..Hα-helixtrans-76.2-25.9-177.2-69.4-53.4000114.2L46 V47 F53 P54 A56 K57 F60 F63 M72 L78L46-F50 HydrophobicContact CB-CD2 4.23Å; L46-F50 HydrophobicContact CB-CE2 3.99Å; L46-F50 HydrophobicContact CD1-CE2 4.45Å; L46-F50 HydrophobicContact CD2-CE2 4.32Å; L46-F50 HydrophobicContact CG-CE2 4.49Å; L46-F50 WeakPolarHBondContact O-CB 3.36Å; L46-F50 WeakPolarHBondContact O-CD2 3.44Å; L46-F50 WeakPolarHBondContact O-CG 3.4Å; L46-F50 PolarHBondContact O-N 2.85Å; V47-F50 PolarHBondContact O-N 3.4Å; F50-F53 CarbonylContact O-C 3.54Å; F50-P54 VanDerWaalsContact O-CA 3.29Å; F50-P54 WeakPolarHBondContact O-CA 3.24Å; F50-A56 HydrophobicContact CD1-CB 3.93Å; F50-A56 HydrophobicContact CE1-CB 3.87Å; F50-K57 HydrophobicContact CB-CD 4.07Å; F50-K57 HydrophobicContact CB-CG 3.77Å; F50-K57 HydrophobicContact CD1-CB 4.35Å; F50-K57 HydrophobicContact CD1-CG 3.49Å; F50-K57 VanDerWaalsContact CD1-CG 3.49Å; F50-K57 HydrophobicContact CE1-CG 4.32Å; F50-K57 HydrophobicContact CG-CG 3.82Å; F50-F60 AromaticContact CE1-CD2 3.96Å; F50-F60 HydrophobicContact CE1-CD2 3.96Å; F50-F60 AromaticContact CE1-CE2 3.77Å; F50-F60 HydrophobicContact CE1-CE2 3.77Å; F50-F60 AromaticContact CZ-CD2 3.79Å; F50-F60 HydrophobicContact CZ-CD2 3.79Å; F50-F60 AromaticContact CZ-CE2 3.43Å; F50-F60 HydrophobicContact CZ-CE2 3.43Å; F50-F60 VanDerWaalsContact CZ-CE2 3.43Å; F50-F60 AromaticContact CZ-CZ 3.99Å; F50-F60 HydrophobicContact CZ-CZ 3.99Å; F50-F63 HydrophobicContact CD1-CE2 4.24Å; F50-F63 AromaticContact CD2-CE2 3.68Å; F50-F63 HydrophobicContact CD2-CE2 3.68Å; F50-F63 HydrophobicContact CD2-CZ 4.05Å; F50-F63 HydrophobicContact CE1-CE2 4.13Å; F50-F63 HydrophobicContact CE1-CZ 4.38Å; F50-F63 AromaticContact CE2-CE2 3.57Å; F50-F63 HydrophobicContact CE2-CE2 3.57Å; F50-F63 AromaticContact CE2-CZ 3.48Å; F50-F63 HydrophobicContact CE2-CZ 3.48Å; F50-F63 VanDerWaalsContact CE2-CZ 3.48Å; F50-F63 HydrophobicContact CG-CE2 4.05Å; F50-F63 AromaticContact CZ-CE2 3.82Å; F50-F63 HydrophobicContact CZ-CE2 3.82Å; F50-F63 AromaticContact CZ-CZ 3.67Å; F50-F63 HydrophobicContact CZ-CZ 3.67Å; F50-M72 HydrophobicContact CB-SD 3.91Å; F50-L78 HydrophobicContact CD2-CD1 3.83Å; F50-L78 HydrophobicContact CE2-CD1 4.12Å
51V97.5Very high97.6Very high61 Ų6139.9 Ų39.937%0.3722%0.22SC..Hα-helixtrans-69.6-49.2171.1169.50000110.3V47 P69 M72V47-V51 HydrophobicContact CG1-CG2 4.27Å; V47-V51 WeakPolarHBondContact O-CB 3.02Å; V47-V51 VanDerWaalsContact O-CG2 3.25Å; V47-V51 WeakPolarHBondContact O-CG2 3.38Å; V47-V51 PolarHBondContact O-N 3.05Å; V51-P69 HydrophobicContact CG2-CB 4.39Å; V51-P69 HydrophobicContact CG2-CG 3.9Å; V51-M72 HydrophobicContact CG2-CE 3.53Å
52N97.3Very high97.7Very high91 Ų9144.1 Ų44.149%0.48724%0.238SC..Hα-helixtrans-75.8-25.5-177.6-68.6-21.4000112.9R48R48-N52 WeakPolarHBondContact O-CB 3.43Å; R48-N52 PolarHBondContact O-N 3.08Å; R48-N52 PolarHBondContact O-ND2 3.21Å
53F97.6Very high97.7Very high73 Ų7344 Ų4432%0.3224%0.237SC..  trans-131.769.7-179.4-54.3-85.6000111.5F49 F50 S55 A56 I126 V130F49-F53 HydrophobicContact CD2-CB 4.42Å; F49-F53 AromaticContact CD2-CD2 3.93Å; F49-F53 HydrophobicContact CD2-CD2 3.93Å; F49-F53 HydrophobicContact CD2-CG 4.49Å; F49-F53 HydrophobicContact CE2-CB 4.21Å; F49-F53 HydrophobicContact CE2-CD2 4.28Å; F49-F53 HydrophobicContact CE2-CG 4.44Å; F49-F53 WeakPolarHBondContact O-CA 3.37Å; F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 WeakPolarHBondContact O-CD2 3.29Å; F49-F53 PolarHBondContact O-N 2.81Å; F50-F53 CarbonylContact O-C 3.54Å; F53-S55 PolarHBondContact O-N 3.44Å; F53-S55 VanDerWaalsContact O-N 3.08Å; F53-A56 VanDerWaalsContact O-CB 3.28Å; F53-A56 WeakPolarHBondContact O-CB 3.5Å; F53-A56 PolarHBondContact O-N 2.88Å; F53-I126 HydrophobicContact CD1-CD1 3.96Å; F53-I126 HydrophobicContact CD1-CG2 3.88Å; F53-I126 HydrophobicContact CD2-CG2 3.35Å; F53-I126 HydrophobicContact CE1-CD1 4.1Å; F53-I126 HydrophobicContact CE1-CG1 4.4Å; F53-I126 HydrophobicContact CE1-CG2 3.75Å; F53-I126 HydrophobicContact CE2-CG2 3.22Å; F53-I126 HydrophobicContact CG-CG2 3.69Å; F53-I126 HydrophobicContact CZ-CG2 3.43Å; F53-I126 VanDerWaalsContact CZ-CG2 3.43Å; F53-V130 HydrophobicContact CE2-CG2 4.27Å
54P97.4Very high97.7Very high71 Ų7149.6 Ų49.646%0.46126%0.261SS..G310 helixtrans-58.2-29.5-173.4-26.535.7000114.4F50 A56 K57F50-P54 VanDerWaalsContact O-CA 3.29Å; F50-P54 WeakPolarHBondContact O-CA 3.24Å; P54-A56 PolarHBondContact O-N 3.33Å; P54-A56 VanDerWaalsContact O-N 3.17Å; P54-K57 WeakPolarHBondContact O-CB 3.47Å; P54-K57 WeakPolarHBondContact O-CE 3.49Å; P54-K57 WeakPolarHBondContact O-CG 3.4Å; P54-K57 PolarHBondContact O-N 2.92Å
55S97.3Very high97.8Very high62 Ų6253.3 Ų53.343%0.43427%0.27SS..G310 helixtrans-60.1-24.2177.262.50000112.9F53 K57 Q58 Y123F53-S55 PolarHBondContact O-N 3.44Å; F53-S55 VanDerWaalsContact O-N 3.08Å; S55-K57 PolarHBondContact O-N 2.77Å; S55-Q58 WeakPolarHBondContact O-CB 3.38Å; S55-Q58 VanDerWaalsContact O-CG 3.25Å; S55-Q58 WeakPolarHBondContact O-CG 3.29Å; S55-Q58 PolarHBondContact O-N 3.11Å; S55-Q58 PolarHBondContact O-NE2 3.44Å; S55-Y123 WeakPolarHBondContact CB-OH 3.47Å; S55-Y123 PolarHBondContact OG-OH 3.31Å
56A97.7Very high97.8Very high2 Ų254.1 Ų54.12%0.01727%0.274CS..G310 helixtrans-68.3-21.1175.800000112.9F49 F50 F53 P54 Q58 Y59 Y123F49-A56 HydrophobicContact CD1-CB 4.44Å; F49-A56 HydrophobicContact CE1-CB 3.46Å; F49-A56 VanDerWaalsContact CE1-CB 3.46Å; F49-A56 HydrophobicContact CE2-CB 4.22Å; F49-A56 HydrophobicContact CZ-CB 3.32Å; F50-A56 HydrophobicContact CD1-CB 3.93Å; F50-A56 HydrophobicContact CE1-CB 3.87Å; F53-A56 VanDerWaalsContact O-CB 3.28Å; F53-A56 WeakPolarHBondContact O-CB 3.5Å; F53-A56 PolarHBondContact O-N 2.88Å; P54-A56 PolarHBondContact O-N 3.33Å; P54-A56 VanDerWaalsContact O-N 3.17Å; A56-Q58 PolarHBondContact O-N 3.22Å; A56-Y59 VanDerWaalsContact O-CD2 3.27Å; A56-Y59 WeakPolarHBondContact O-CD2 3.48Å; A56-Y123 HydrophobicContact CB-CD1 3.67Å; A56-Y123 HydrophobicContact CB-CE1 3.59Å; A56-Y123 HydrophobicContact CB-CG 4.31Å
57K98.3Very high97.7Very high16 Ų1661.4 Ų61.47%0.0731%0.308CS..G310 helixtrans-67.8-15.7178.9-56.7-178.7-66.9-163.70112.7F50 P54 S55 Y59 F60 F63 K64 M66 M72F50-K57 HydrophobicContact CB-CD 4.07Å; F50-K57 HydrophobicContact CB-CG 3.77Å; F50-K57 HydrophobicContact CD1-CB 4.35Å; F50-K57 HydrophobicContact CD1-CG 3.49Å; F50-K57 VanDerWaalsContact CD1-CG 3.49Å; F50-K57 HydrophobicContact CE1-CG 4.32Å; F50-K57 HydrophobicContact CG-CG 3.82Å; P54-K57 WeakPolarHBondContact O-CB 3.47Å; P54-K57 WeakPolarHBondContact O-CE 3.49Å; P54-K57 WeakPolarHBondContact O-CG 3.4Å; P54-K57 PolarHBondContact O-N 2.92Å; S55-K57 PolarHBondContact O-N 2.77Å; K57-Y59 PolarHBondContact O-N 3.32Å; K57-F60 PolarHBondContact O-N 2.85Å; K57-F63 HydrophobicContact CB-CD2 4.48Å; K57-F63 HydrophobicContact CB-CE2 4.39Å; K57-F63 HydrophobicContact CG-CD2 4.37Å; K57-F63 HydrophobicContact CG-CE2 4.21Å; K57-K64 VanDerWaalsContact O-CB 3.29Å; K57-K64 WeakPolarHBondContact O-CB 3.45Å; K57-M66 PolarHBondContact NZ-O 3.33Å; K57-M72 HydrophobicContact CD-SD 4.11Å
58Q98.1Very high97.6Very high113 Ų11366.9 Ų66.953%0.52833%0.333SS..G310 helixtrans-54.7-28.1-178.774.1-175.6-82.200113.9S55 A56 F60S55-Q58 WeakPolarHBondContact O-CB 3.38Å; S55-Q58 VanDerWaalsContact O-CG 3.25Å; S55-Q58 WeakPolarHBondContact O-CG 3.29Å; S55-Q58 PolarHBondContact O-N 3.11Å; S55-Q58 PolarHBondContact O-NE2 3.44Å; A56-Q58 PolarHBondContact O-N 3.22Å; Q58-F60 VanDerWaalsContact C-N 3.27Å; Q58-F60 PolarHBondContact O-N 3.14Å
59Y98.1Very high97.6Very high58 Ų5865.9 Ų65.923%0.22734%0.336CS..G310 helixtrans-80.9-4.1-179.4-51.5-68.5000113.9A56 K57 K118 V119 E120 Y123A56-Y59 VanDerWaalsContact O-CD2 3.27Å; A56-Y59 WeakPolarHBondContact O-CD2 3.48Å; K57-Y59 PolarHBondContact O-N 3.32Å; Y59-K118 VanDerWaalsContact CE1-O 3.26Å; Y59-K118 WeakPolarHBondContact CE1-O 3.48Å; Y59-V119 HydrophobicContact CD1-CG2 3.99Å; Y59-V119 HydrophobicContact CD2-CG1 4.34Å; Y59-V119 HydrophobicContact CD2-CG2 4.06Å; Y59-V119 HydrophobicContact CE1-CG2 4.31Å; Y59-V119 HydrophobicContact CE2-CB 4.45Å; Y59-V119 HydrophobicContact CE2-CG1 4.06Å; Y59-V119 HydrophobicContact CE2-CG2 4.36Å; Y59-V119 HydrophobicContact CG-CG2 3.86Å; Y59-E120 WeakPolarHBondContact OH-CG 3.43Å; Y59-E120 PolarHBondContact OH-N 2.84Å; Y59-E120 VanDerWaalsContact OH-N 3.13Å; Y59-Y123 AromaticContact CE2-CD2 3.65Å; Y59-Y123 HydrophobicContact CE2-CD2 3.65Å; Y59-Y123 AromaticContact CE2-CE2 3.51Å; Y59-Y123 HydrophobicContact CE2-CE2 3.51Å; Y59-Y123 AromaticContact CZ-CE2 3.95Å; Y59-Y123 WeakPolarHBondContact OH-CE2 3.36Å
60F98.2Very high97.5Very high31 Ų3170.5 Ų70.514%0.13636%0.361CS..  trans-121.394.7-171.6-63.3-85.4000111.7F50 K57 Q58 Q62 F63 K64 Q77 H81F50-F60 AromaticContact CE1-CD2 3.96Å; F50-F60 HydrophobicContact CE1-CD2 3.96Å; F50-F60 AromaticContact CE1-CE2 3.77Å; F50-F60 HydrophobicContact CE1-CE2 3.77Å; F50-F60 AromaticContact CZ-CD2 3.79Å; F50-F60 HydrophobicContact CZ-CD2 3.79Å; F50-F60 AromaticContact CZ-CE2 3.43Å; F50-F60 HydrophobicContact CZ-CE2 3.43Å; F50-F60 VanDerWaalsContact CZ-CE2 3.43Å; F50-F60 AromaticContact CZ-CZ 3.99Å; F50-F60 HydrophobicContact CZ-CZ 3.99Å; K57-F60 PolarHBondContact O-N 2.85Å; Q58-F60 VanDerWaalsContact C-N 3.27Å; Q58-F60 PolarHBondContact O-N 3.14Å; F60-Q62 PolarHBondContact O-N 2.83Å; F60-Q62 VanDerWaalsContact O-N 3.11Å; F60-F63 HydrophobicContact CB-CD1 3.69Å; F60-F63 HydrophobicContact CB-CD2 4.12Å; F60-F63 HydrophobicContact CB-CE1 3.27Å; F60-F63 HydrophobicContact CB-CE2 3.71Å; F60-F63 HydrophobicContact CB-CG 4.11Å; F60-F63 HydrophobicContact CB-CZ 3.28Å; F60-F63 AromaticContact CD1-CE1 3.42Å; F60-F63 HydrophobicContact CD1-CE1 3.42Å; F60-F63 VanDerWaalsContact CD1-CE1 3.42Å; F60-F63 AromaticContact CD1-CZ 3.49Å; F60-F63 HydrophobicContact CD1-CZ 3.49Å; F60-F63 VanDerWaalsContact CD1-CZ 3.49Å; F60-F63 HydrophobicContact CD2-CE1 4.25Å; F60-F63 HydrophobicContact CD2-CE2 4.01Å; F60-F63 AromaticContact CD2-CZ 3.52Å; F60-F63 HydrophobicContact CD2-CZ 3.52Å; F60-F63 HydrophobicContact CE1-CE1 4.33Å; F60-F63 HydrophobicContact CE1-CZ 4.18Å; F60-F63 HydrophobicContact CE2-CZ 4.22Å; F60-F63 HydrophobicContact CG-CD1 4.3Å; F60-F63 AromaticContact CG-CE1 3.38Å; F60-F63 HydrophobicContact CG-CE1 3.38Å; F60-F63 AromaticContact CG-CE2 3.87Å; F60-F63 HydrophobicContact CG-CE2 3.87Å; F60-F63 AromaticContact CG-CZ 3.11Å; F60-F63 HydrophobicContact CG-CZ 3.11Å; F60-F63 PolarHBondContact O-N 2.93Å; F60-K64 VanDerWaalsContact O-CB 3.28Å; F60-K64 WeakPolarHBondContact O-CB 3.35Å; F60-K64 PolarHBondContact O-N 3.15Å; F60-Q77 HydrophobicContact CD1-CG 4.21Å; F60-H81 HydrophobicContact CE1-CB 4.29Å; F60-H81 AromaticContact CE1-CD2 3.3Å; F60-H81 WeakPolarHBondContact CE1-CD2 3.37Å; F60-H81 AromaticContact CE1-CG 3.94Å; F60-H81 AromaticContact CE1-NE2 3.97Å; F60-H81 AromaticContact CZ-CD2 3.24Å; F60-H81 WeakPolarHBondContact CZ-CD2 3.23Å; F60-H81 AromaticContact CZ-NE2 3.57Å
61S97.3Very high97.5Very high82 Ų8274.7 Ų74.757%0.57338%0.38SS*.THydrogen-bonded Turntrans-56.4-32.1-172.554.50000115.1
62Q97.9Very high97.5Very high110 Ų11071.8 Ų71.851%0.51436%0.363SS..THydrogen-bonded Turntrans-85.7-21.7-173.7-58.1-177.35.300113.3F60 H65 Q77F60-Q62 PolarHBondContact O-N 2.83Å; F60-Q62 VanDerWaalsContact O-N 3.11Å; Q62-H65 PolarHBondContact O-CE1 3.17Å; Q62-Q77 HydrophobicContact CB-CB 3.99Å; Q62-Q77 VanDerWaalsContact CB-OE1 3.3Å; Q62-Q77 HydrophobicContact CG-CB 4.26Å
63F97.3Very high97.5Very high0 Ų070.9 Ų70.90%036%0.355CS..THydrogen-bonded Turntrans-129.78-178.669.2-100.1000115F50 K57 F60 H65 M66 Q77 L78F50-F63 HydrophobicContact CD1-CE2 4.24Å; F50-F63 AromaticContact CD2-CE2 3.68Å; F50-F63 HydrophobicContact CD2-CE2 3.68Å; F50-F63 HydrophobicContact CD2-CZ 4.05Å; F50-F63 HydrophobicContact CE1-CE2 4.13Å; F50-F63 HydrophobicContact CE1-CZ 4.38Å; F50-F63 AromaticContact CE2-CE2 3.57Å; F50-F63 HydrophobicContact CE2-CE2 3.57Å; F50-F63 AromaticContact CE2-CZ 3.48Å; F50-F63 HydrophobicContact CE2-CZ 3.48Å; F50-F63 VanDerWaalsContact CE2-CZ 3.48Å; F50-F63 HydrophobicContact CG-CE2 4.05Å; F50-F63 AromaticContact CZ-CE2 3.82Å; F50-F63 HydrophobicContact CZ-CE2 3.82Å; F50-F63 AromaticContact CZ-CZ 3.67Å; F50-F63 HydrophobicContact CZ-CZ 3.67Å; K57-F63 HydrophobicContact CB-CD2 4.48Å; K57-F63 HydrophobicContact CB-CE2 4.39Å; K57-F63 HydrophobicContact CG-CD2 4.37Å; K57-F63 HydrophobicContact CG-CE2 4.21Å; F60-F63 HydrophobicContact CB-CD1 3.69Å; F60-F63 HydrophobicContact CB-CD2 4.12Å; F60-F63 HydrophobicContact CB-CE1 3.27Å; F60-F63 HydrophobicContact CB-CE2 3.71Å; F60-F63 HydrophobicContact CB-CG 4.11Å; F60-F63 HydrophobicContact CB-CZ 3.28Å; F60-F63 AromaticContact CD1-CE1 3.42Å; F60-F63 HydrophobicContact CD1-CE1 3.42Å; F60-F63 VanDerWaalsContact CD1-CE1 3.42Å; F60-F63 AromaticContact CD1-CZ 3.49Å; F60-F63 HydrophobicContact CD1-CZ 3.49Å; F60-F63 VanDerWaalsContact CD1-CZ 3.49Å; F60-F63 HydrophobicContact CD2-CE1 4.25Å; F60-F63 HydrophobicContact CD2-CE2 4.01Å; F60-F63 AromaticContact CD2-CZ 3.52Å; F60-F63 HydrophobicContact CD2-CZ 3.52Å; F60-F63 HydrophobicContact CE1-CE1 4.33Å; F60-F63 HydrophobicContact CE1-CZ 4.18Å; F60-F63 HydrophobicContact CE2-CZ 4.22Å; F60-F63 HydrophobicContact CG-CD1 4.3Å; F60-F63 AromaticContact CG-CE1 3.38Å; F60-F63 HydrophobicContact CG-CE1 3.38Å; F60-F63 AromaticContact CG-CE2 3.87Å; F60-F63 HydrophobicContact CG-CE2 3.87Å; F60-F63 AromaticContact CG-CZ 3.11Å; F60-F63 HydrophobicContact CG-CZ 3.11Å; F60-F63 PolarHBondContact O-N 2.93Å; F63-H65 PolarHBondContact O-N 3.07Å; F63-M66 HydrophobicContact CB-CB 4.42Å; F63-M66 HydrophobicContact CB-CE 4.21Å; F63-M66 HydrophobicContact CB-CG 3.98Å; F63-M66 HydrophobicContact CB-SD 3.38Å; F63-M66 WeakPolarHBondContact CB-SD 3.47Å; F63-M66 PolarHBondContact O-N 3.29Å; F63-Q77 HydrophobicContact CD1-CB 4.14Å; F63-Q77 HydrophobicContact CD1-CG 4.24Å; F63-Q77 HydrophobicContact CE1-CB 4.36Å; F63-Q77 HydrophobicContact CE1-CG 4.1Å; F63-L78 HydrophobicContact CD1-CB 4.05Å; F63-L78 HydrophobicContact CE1-CB 3.79Å; F63-L78 HydrophobicContact CE1-CG 4.46Å; F63-L78 HydrophobicContact CE2-CD1 4.29Å; F63-L78 HydrophobicContact CZ-CB 4.26Å; F63-L78 HydrophobicContact CZ-CD1 4.26Å; F63-L78 HydrophobicContact CZ-CG 4.45Å
64K97.5Very high97.5Very high124 Ų12476.6 Ų76.654%0.53938%0.375SS..THydrogen-bonded Turntrans-52.7-25.3179.662176.9-178.2174.20115.6K57 F60K57-K64 VanDerWaalsContact O-CB 3.29Å; K57-K64 WeakPolarHBondContact O-CB 3.45Å; F60-K64 VanDerWaalsContact O-CB 3.28Å; F60-K64 WeakPolarHBondContact O-CB 3.35Å; F60-K64 PolarHBondContact O-N 3.15Å
65H97.4Very high97.5Very high124 Ų12473.4 Ų73.457%0.57435%0.354SS*.THydrogen-bonded Turntrans-101.2-8.1-176.761.7-78.4000113.6Q62 F63Q62-H65 PolarHBondContact O-CE1 3.17Å; F63-H65 PolarHBondContact O-N 3.07Å
66M97.9Very high97.6Very high24 Ų2474.1 Ų74.112%0.11836%0.357CS..  trans-73.6129.8-178.7-63.3179.3172.300109.5K57 F63 E71 M72K57-M66 PolarHBondContact NZ-O 3.33Å; F63-M66 HydrophobicContact CB-CB 4.42Å; F63-M66 HydrophobicContact CB-CE 4.21Å; F63-M66 HydrophobicContact CB-CG 3.98Å; F63-M66 HydrophobicContact CB-SD 3.38Å; F63-M66 WeakPolarHBondContact CB-SD 3.47Å; F63-M66 PolarHBondContact O-N 3.29Å; M66-E71 HydrophobicContact CE-CG 4.01Å; M66-E71 HydrophobicContact CG-CG 4.06Å; M66-E71 HydrophobicContact SD-CB 4.46Å; M66-E71 HydrophobicContact SD-CG 3.81Å; M66-M72 HydrophobicContact CB-CG 3.78Å
67E95.4Very high97.6Very high154 Ų15476.1 Ų76.172%0.7237%0.366SS*.  trans-107.8-32.8177.8-62.4-170.916600111.8M72E67-M72 VanDerWaalsContact O-CE 3.27Å; E67-M72 WeakPolarHBondContact O-CE 3.47Å
68E97.6Very high97.6Very high125 Ų12575.4 Ų75.458%0.58436%0.363SS*.  trans-77.1126.8-177.1-66.5-58.1144.700111.8L70 E71 M72E68-L70 VanDerWaalsContact C-N 3.3Å; E68-L70 PolarHBondContact O-N 2.99Å; E68-E71 HydrophobicContact CB-CB 4.13Å; E68-E71 WeakPolarHBondContact O-CB 3.48Å; E68-E71 PolarHBondContact O-N 3.41Å; E68-E71 VanDerWaalsContact O-N 3.07Å; E68-M72 PolarHBondContact O-N 3Å; E68-M72 VanDerWaalsContact O-N 3.11Å
69P97.2Very high97.6Very high51 Ų5173.2 Ų73.233%0.33135%0.35SS..Hα-helixtrans-54.3-43.1178.5-26.533.9000113.5V47 V51 E71 M72 E73V47-P69 HydrophobicContact CG1-CB 3.86Å; V51-P69 HydrophobicContact CG2-CB 4.39Å; V51-P69 HydrophobicContact CG2-CG 3.9Å; P69-E71 VanDerWaalsContact C-N 3.25Å; P69-E71 PolarHBondContact O-N 3.39Å; P69-M72 WeakPolarHBondContact O-CB 3.48Å; P69-M72 PolarHBondContact O-N 3.38Å; P69-M72 VanDerWaalsContact O-N 3.17Å; P69-E73 WeakPolarHBondContact O-CG 3.4Å; P69-E73 PolarHBondContact O-N 3.27Å
70L96.8Very high97.7Very high108 Ų10877.1 Ų77.157%0.56537%0.368SS*.Hα-helixtrans-65.1-28.7-179.7-65.1176.3000112.9E68 R74E68-L70 VanDerWaalsContact C-N 3.3Å; E68-L70 PolarHBondContact O-N 2.99Å; L70-R74 WeakPolarHBondContact O-CD 3.29Å; L70-R74 WeakPolarHBondContact O-CG 3.37Å
71E97.4Very high97.7Very high88 Ų8877.4 Ų77.441%0.41137%0.37SS..Hα-helixtrans-74.6-44.4174.3-165.1-172.1-17500110.4M66 E68 P69 E73 R74 S75M66-E71 HydrophobicContact CE-CG 4.01Å; M66-E71 HydrophobicContact CG-CG 4.06Å; M66-E71 HydrophobicContact SD-CB 4.46Å; M66-E71 HydrophobicContact SD-CG 3.81Å; E68-E71 HydrophobicContact CB-CB 4.13Å; E68-E71 WeakPolarHBondContact O-CB 3.48Å; E68-E71 PolarHBondContact O-N 3.41Å; E68-E71 VanDerWaalsContact O-N 3.07Å; P69-E71 VanDerWaalsContact C-N 3.25Å; P69-E71 PolarHBondContact O-N 3.39Å; E71-E73 PolarHBondContact O-N 2.87Å; E71-R74 PolarHBondContact O-N 3.47Å; E71-R74 VanDerWaalsContact O-N 3.17Å; E71-S75 PolarHBondContact O-N 3.4Å
72M97.9Very high97.7Very high1 Ų173.5 Ų73.51%0.00534%0.342CS..Hα-helixtrans-58.4-44.3176.2-73.5-172.1-8900112.1V47 F50 V51 K57 M66 E67 E68 P69 R74 S75 L78V47-M72 HydrophobicContact CG2-CB 4.21Å; F50-M72 HydrophobicContact CB-SD 3.91Å; V51-M72 HydrophobicContact CG2-CE 3.53Å; K57-M72 HydrophobicContact CD-SD 4.11Å; M66-M72 HydrophobicContact CB-CG 3.78Å; E67-M72 VanDerWaalsContact O-CE 3.27Å; E67-M72 WeakPolarHBondContact O-CE 3.47Å; E68-M72 PolarHBondContact O-N 3Å; E68-M72 VanDerWaalsContact O-N 3.11Å; P69-M72 WeakPolarHBondContact O-CB 3.48Å; P69-M72 PolarHBondContact O-N 3.38Å; P69-M72 VanDerWaalsContact O-N 3.17Å; M72-R74 PolarHBondContact O-N 2.93Å; M72-S75 VanDerWaalsContact O-CB 3.27Å; M72-S75 WeakPolarHBondContact O-CB 3.5Å; M72-S75 PolarHBondContact O-N 2.93Å; M72-L78 HydrophobicContact CB-CD1 3.98Å
73E97.3Very high97.7Very high71 Ų7170.7 Ų70.733%0.33234%0.335SS..Hα-helixtrans-56.4-32.1177.4-77.9178-179.700113.8V43 V47 P69 E71 R79V43-E73 HydrophobicContact CG1-CB 4.18Å; V43-E73 HydrophobicContact CG1-CG 3.89Å; V47-E73 HydrophobicContact CG1-CG 4.45Å; V47-E73 HydrophobicContact CG2-CB 4.49Å; V47-E73 HydrophobicContact CG2-CG 3.62Å; P69-E73 WeakPolarHBondContact O-CG 3.4Å; P69-E73 PolarHBondContact O-N 3.27Å; E71-E73 PolarHBondContact O-N 2.87Å; E73-R79 WeakPolarHBondContact O-CD 3.39Å; E73-R79 WeakPolarHBondContact O-CG 3.24Å; E73-R79 PolarHBondContact O-NH1 2.98Å
74R97.4Very high97.8Very high194 Ų19479.5 Ų79.573%0.73237%0.368SS*.Hα-helixtrans-89.9-9.8-178.4-65.1174.3-175.4179.22112.8L70 E71 M72 P76L70-R74 WeakPolarHBondContact O-CD 3.29Å; L70-R74 WeakPolarHBondContact O-CG 3.37Å; E71-R74 PolarHBondContact O-N 3.47Å; E71-R74 VanDerWaalsContact O-N 3.17Å; M72-R74 PolarHBondContact O-N 2.93Å; R74-P76 VanDerWaalsContact O-CD 3.28Å; R74-P76 WeakPolarHBondContact O-CD 3.42Å
75S98.3Very high97.8Very high3 Ų374.8 Ų74.82%0.02135%0.349CS..  trans-64.1118.8-179.4175.50000111.5E71 M72 Q77 L78 R79E71-S75 PolarHBondContact O-N 3.4Å; M72-S75 VanDerWaalsContact O-CB 3.27Å; M72-S75 WeakPolarHBondContact O-CB 3.5Å; M72-S75 PolarHBondContact O-N 2.93Å; S75-Q77 PolarHBondContact O-N 2.9Å; S75-L78 PolarHBondContact O-N 3.31Å; S75-L78 VanDerWaalsContact O-N 3.09Å; S75-R79 WeakPolarHBondContact O-CG 3.44Å; S75-R79 PolarHBondContact O-N 3.36Å
76P98.3Very high97.8Very high78 Ų7869 Ų6951%0.50632%0.323SS..Hα-helixtrans-60.7-32.6179.6-25.335.3000113.2R74 K80R74-P76 VanDerWaalsContact O-CD 3.28Å; R74-P76 WeakPolarHBondContact O-CD 3.42Å; P76-K80 VanDerWaalsContact O-CB 3.32Å; P76-K80 WeakPolarHBondContact O-CB 3.26Å; P76-K80 WeakPolarHBondContact O-CD 3.41Å; P76-K80 WeakPolarHBondContact O-CG 3.45Å; P76-K80 PolarHBondContact O-N 3.11Å; P76-K80 VanDerWaalsContact O-N 3.07Å
77Q98.5Very high97.8Very high44 Ų4468.8 Ų68.821%0.20633%0.327CS..Hα-helixtrans-69.3-40.3176.5-178.2175.858.500111.6F60 Q62 F63 S75 H81F60-Q77 HydrophobicContact CD1-CG 4.21Å; Q62-Q77 HydrophobicContact CB-CB 3.99Å; Q62-Q77 VanDerWaalsContact CB-OE1 3.3Å; Q62-Q77 HydrophobicContact CG-CB 4.26Å; F63-Q77 HydrophobicContact CD1-CB 4.14Å; F63-Q77 HydrophobicContact CD1-CG 4.24Å; F63-Q77 HydrophobicContact CE1-CB 4.36Å; F63-Q77 HydrophobicContact CE1-CG 4.1Å; S75-Q77 PolarHBondContact O-N 2.9Å; Q77-H81 PolarHBondContact O-N 3.34Å; Q77-H81 VanDerWaalsContact O-N 3.08Å
78L98.6Very high98Very high0 Ų063 Ų630%031%0.305CS..Hα-helixtrans-65.1-50.9176.9-173.8150000110.6V43 L46 V47 F50 F63 M72 S75 K80 H81 A82V43-L78 HydrophobicContact CB-CD2 4.4Å; V43-L78 HydrophobicContact CG1-CD2 4.06Å; V43-L78 HydrophobicContact CG2-CD2 4.15Å; L46-L78 HydrophobicContact CB-CD2 4.19Å; L46-L78 HydrophobicContact CB-CG 4.28Å; L46-L78 HydrophobicContact CD1-CG 4.42Å; V47-L78 HydrophobicContact CG2-CD1 4.22Å; V47-L78 HydrophobicContact CG2-CD2 4.28Å; F50-L78 HydrophobicContact CD2-CD1 3.83Å; F50-L78 HydrophobicContact CE2-CD1 4.12Å; F63-L78 HydrophobicContact CD1-CB 4.05Å; F63-L78 HydrophobicContact CE1-CB 3.79Å; F63-L78 HydrophobicContact CE1-CG 4.46Å; F63-L78 HydrophobicContact CE2-CD1 4.29Å; F63-L78 HydrophobicContact CZ-CB 4.26Å; F63-L78 HydrophobicContact CZ-CD1 4.26Å; F63-L78 HydrophobicContact CZ-CG 4.45Å; M72-L78 HydrophobicContact CB-CD1 3.98Å; S75-L78 PolarHBondContact O-N 3.31Å; S75-L78 VanDerWaalsContact O-N 3.09Å; L78-K80 PolarHBondContact O-N 3.38Å; L78-H81 CarbonylContact O-C 3.31Å; L78-H81 WeakPolarHBondContact O-CA 3.32Å; L78-H81 WeakPolarHBondContact O-CB 3.35Å; L78-H81 PolarHBondContact O-N 3.01Å; L78-A82 PolarHBondContact O-N 3.01Å
79R98.4Very high98Very high68 Ų6858 Ų5826%0.25728%0.282SS..Hα-helixtrans-58.9-44.4179.7-61.3-172.375.985-1.5112.3E39 D40 V43 E73 S75 H81 A82 C83E39-R79 VanDerWaalsContact CD-NH2 3.26Å; E39-R79 IonicContact OE1-CZ 3.14Å; E39-R79 IonicContact OE1-NE 2.81Å; E39-R79 PolarHBondContact OE1-NE 2.96Å; E39-R79 IonicContact OE1-NH2 2.8Å; E39-R79 PolarHBondContact OE1-NH2 2.88Å; D40-R79 IonicContact OD1-NH2 3.04Å; V43-R79 HydrophobicContact CG2-CB 4.37Å; V43-R79 HydrophobicContact CG2-CG 3.93Å; E73-R79 WeakPolarHBondContact O-CD 3.39Å; E73-R79 WeakPolarHBondContact O-CG 3.24Å; E73-R79 PolarHBondContact O-NH1 2.98Å; S75-R79 WeakPolarHBondContact O-CG 3.44Å; S75-R79 PolarHBondContact O-N 3.36Å; R79-H81 VanDerWaalsContact C-N 3.26Å; R79-H81 PolarHBondContact O-N 3.39Å; R79-A82 WeakPolarHBondContact O-CB 3.41Å; R79-A82 PolarHBondContact O-N 3.25Å; R79-C83 PolarHBondContact O-N 2.84Å; R79-C83 VanDerWaalsContact O-N 3.07Å; R79-C83 PolarHBondContact O-SG 3.04Å; R79-C83 VanDerWaalsContact O-SG 3.34Å
80K98.5Very high98.1Very high140 Ų14056.3 Ų56.361%0.60927%0.27SS*.Hα-helixtrans-59.7-37.5173.9-76.2173.1-175176.60112.3P76 L78 R84P76-K80 VanDerWaalsContact O-CB 3.32Å; P76-K80 WeakPolarHBondContact O-CB 3.26Å; P76-K80 WeakPolarHBondContact O-CD 3.41Å; P76-K80 WeakPolarHBondContact O-CG 3.45Å; P76-K80 PolarHBondContact O-N 3.11Å; P76-K80 VanDerWaalsContact O-N 3.07Å; L78-K80 PolarHBondContact O-N 3.38Å; K80-R84 WeakPolarHBondContact O-CG 3.38Å; K80-R84 PolarHBondContact O-N 3.44Å
81H98.4Very high98.1Very high36 Ų3653.4 Ų53.417%0.16726%0.257CS..Hα-helixtrans-72.1-40.9177-169.523.9000112.1L46 F60 Q77 L78 R79 C83 R84 V85L46-H81 HydrophobicContact CD1-CB 4.14Å; F60-H81 HydrophobicContact CE1-CB 4.29Å; F60-H81 AromaticContact CE1-CD2 3.3Å; F60-H81 WeakPolarHBondContact CE1-CD2 3.37Å; F60-H81 AromaticContact CE1-CG 3.94Å; F60-H81 AromaticContact CE1-NE2 3.97Å; F60-H81 AromaticContact CZ-CD2 3.24Å; F60-H81 WeakPolarHBondContact CZ-CD2 3.23Å; F60-H81 AromaticContact CZ-NE2 3.57Å; Q77-H81 PolarHBondContact O-N 3.34Å; Q77-H81 VanDerWaalsContact O-N 3.08Å; L78-H81 CarbonylContact O-C 3.31Å; L78-H81 WeakPolarHBondContact O-CA 3.32Å; L78-H81 WeakPolarHBondContact O-CB 3.35Å; L78-H81 PolarHBondContact O-N 3.01Å; R79-H81 VanDerWaalsContact C-N 3.26Å; R79-H81 PolarHBondContact O-N 3.39Å; H81-C83 VanDerWaalsContact C-N 3.34Å; H81-C83 PolarHBondContact O-N 2.91Å; H81-R84 WeakPolarHBondContact O-CB 3.27Å; H81-R84 PolarHBondContact O-N 3.3Å; H81-V85 VanDerWaalsContact CE1-CG2 3.46Å; H81-V85 WeakPolarHBondContact CE1-CG2 3.47Å; H81-V85 WeakPolarHBondContact O-CG2 3.37Å; H81-V85 PolarHBondContact O-N 3.49Å
82A98.2Very high98.2Very high0 Ų049.3 Ų49.30%024%0.238CC..Hα-helixtrans-51.9-51.9174.100000111.1G42 V43 L46 L78 R79 R84 V85 M86G42-A82 VanDerWaalsContact C-CB 3.42Å; V43-A82 HydrophobicContact CG2-CB 3.87Å; L46-A82 HydrophobicContact CD1-CB 3.9Å; L78-A82 PolarHBondContact O-N 3.01Å; R79-A82 WeakPolarHBondContact O-CB 3.41Å; R79-A82 PolarHBondContact O-N 3.25Å; A82-R84 VanDerWaalsContact C-N 3.28Å; A82-R84 PolarHBondContact O-N 3.17Å; A82-V85 PolarHBondContact O-N 2.91Å; A82-M86 WeakPolarHBondContact O-CG 3.34Å; A82-M86 PolarHBondContact O-N 3.48Å
83C98.2Very high98.2Very high52 Ų5249.4 Ų49.435%0.35124%0.239SC..Hα-helixtrans-60.4-37.3178-580000112.6R79 H81 G87R79-C83 PolarHBondContact O-N 2.84Å; R79-C83 VanDerWaalsContact O-N 3.07Å; R79-C83 PolarHBondContact O-SG 3.04Å; R79-C83 VanDerWaalsContact O-SG 3.34Å; H81-C83 VanDerWaalsContact C-N 3.34Å; H81-C83 PolarHBondContact O-N 2.91Å; C83-G87 PolarHBondContact O-N 3.07Å
84R98.3Very high98.2Very high185 Ų18551.1 Ų51.170%0.69825%0.247SC*.Hα-helixtrans-68-41.8177-73.7175.3178.6174.50.6112.6K80 H81 A82 A88K80-R84 WeakPolarHBondContact O-CG 3.38Å; K80-R84 PolarHBondContact O-N 3.44Å; H81-R84 WeakPolarHBondContact O-CB 3.27Å; H81-R84 PolarHBondContact O-N 3.3Å; A82-R84 VanDerWaalsContact C-N 3.28Å; A82-R84 PolarHBondContact O-N 3.17Å; R84-A88 WeakPolarHBondContact O-CB 3.44Å; R84-A88 PolarHBondContact O-N 3.43Å
85V97.8Very high98.3Very high24 Ų2443.6 Ų43.615%0.14522%0.221CC..Hα-helixtrans-60.9-50.6175.8170.30000109.2H81 A82 G87 A88 L89H81-V85 VanDerWaalsContact CE1-CG2 3.46Å; H81-V85 WeakPolarHBondContact CE1-CG2 3.47Å; H81-V85 WeakPolarHBondContact O-CG2 3.37Å; H81-V85 PolarHBondContact O-N 3.49Å; A82-V85 PolarHBondContact O-N 2.91Å; V85-G87 PolarHBondContact O-N 2.94Å; V85-A88 PolarHBondContact O-N 3.03Å; V85-L89 HydrophobicContact CG1-CD1 3.83Å; V85-L89 HydrophobicContact CG1-CG 4.42Å; V85-L89 WeakPolarHBondContact O-CB 3.3Å; V85-L89 WeakPolarHBondContact O-CG 3.35Å; V85-L89 PolarHBondContact O-N 3.34Å
86M98Very high98.2Very high3 Ų344.1 Ų44.12%0.01522%0.224CC..Hα-helixtrans-62.6-42.3-179.8-63.9-60.9-72.300112.1W31 Y35 C38 V41 I45 A82 L89 N90W31-M86 HydrophobicContact CH2-CE 3.76Å; W31-M86 HydrophobicContact CH2-SD 3.93Å; W31-M86 HydrophobicContact CZ2-CE 4.2Å; W31-M86 HydrophobicContact CZ3-CE 4.4Å; Y35-M86 HydrophobicContact CD2-CB 4.37Å; Y35-M86 HydrophobicContact CD2-CE 4.49Å; Y35-M86 HydrophobicContact CE2-CB 4.13Å; C38-M86 HydrophobicContact CB-CB 4.08Å; C38-M86 HydrophobicContact CB-CE 4.32Å; C38-M86 HydrophobicContact CB-CG 4.46Å; C38-M86 WeakPolarHBondContact O-CG 3.46Å; V41-M86 HydrophobicContact CB-CE 4.25Å; V41-M86 HydrophobicContact CG1-CE 3.85Å; I45-M86 HydrophobicContact CD1-SD 4.24Å; A82-M86 WeakPolarHBondContact O-CG 3.34Å; A82-M86 PolarHBondContact O-N 3.48Å; M86-L89 PolarHBondContact O-N 3.31Å; M86-N90 VanDerWaalsContact O-CB 3.29Å; M86-N90 WeakPolarHBondContact O-CB 3.16Å; M86-N90 PolarHBondContact O-N 3.14Å
87G98.4Very high98.1Very high20 Ų2046.4 Ų46.421%0.20623%0.227CC..Hα-helixtrans-64.8-40.2176.400000113.9C83 V85 N90 T91C83-G87 PolarHBondContact O-N 3.07Å; V85-G87 PolarHBondContact O-N 2.94Å; G87-N90 PolarHBondContact O-N 3.44Å; G87-T91 PolarHBondContact O-N 2.73Å; G87-T91 PolarHBondContact O-OG1 2.67Å
88A98.2Very high98Very high31 Ų3147.2 Ų47.226%0.25623%0.233SC..Hα-helixtrans-66.2-45.6176.300000111.5R84 V85 N90 T91 V92 V109R84-A88 WeakPolarHBondContact O-CB 3.44Å; R84-A88 PolarHBondContact O-N 3.43Å; V85-A88 PolarHBondContact O-N 3.03Å; A88-N90 VanDerWaalsContact C-N 3.33Å; A88-N90 PolarHBondContact O-N 3.46Å; A88-T91 WeakPolarHBondContact O-CB 3.32Å; A88-T91 PolarHBondContact O-N 3.28Å; A88-V92 WeakPolarHBondContact O-CG2 3.34Å; A88-V92 PolarHBondContact O-N 2.94Å; A88-V92 VanDerWaalsContact O-N 3.07Å; A88-V109 HydrophobicContact CB-CG2 4.35Å
89L97.8Very high97.9Very high22 Ų2251.8 Ų51.812%0.11526%0.262CS..Hα-helixtrans-63.6-38.5175.2-69.6175.2000111.9W31 V85 M86 T91 V92 V93 I131 I158W31-L89 HydrophobicContact CH2-CB 3.32Å; W31-L89 HydrophobicContact CH2-CD1 3.84Å; W31-L89 HydrophobicContact CH2-CG 4.23Å; W31-L89 HydrophobicContact CZ2-CB 3.63Å; W31-L89 HydrophobicContact CZ3-CB 4.05Å; W31-L89 HydrophobicContact CZ3-CD1 4.17Å; V85-L89 HydrophobicContact CG1-CD1 3.83Å; V85-L89 HydrophobicContact CG1-CG 4.42Å; V85-L89 WeakPolarHBondContact O-CB 3.3Å; V85-L89 WeakPolarHBondContact O-CG 3.35Å; V85-L89 PolarHBondContact O-N 3.34Å; M86-L89 PolarHBondContact O-N 3.31Å; L89-T91 VanDerWaalsContact C-N 3.33Å; L89-T91 PolarHBondContact O-N 3.5Å; L89-V92 WeakPolarHBondContact O-CB 3.32Å; L89-V92 PolarHBondContact O-N 3.32Å; L89-V92 VanDerWaalsContact O-N 3.14Å; L89-V93 WeakPolarHBondContact O-CG2 3.39Å; L89-V93 PolarHBondContact O-N 3.04Å; L89-I131 HydrophobicContact CD1-CD1 3.8Å; L89-I158 HydrophobicContact CD2-CD1 3.74Å
90N98.5Very high97.8Very high15 Ų1554.8 Ų54.88%0.0828%0.284CS..Hα-helixtrans-59.4-46.4175-16969.7000111.4W31 Y35 M86 G87 A88 V92 V93 E94W31-N90 HydrophobicContact CZ2-CB 4.09Å; W31-N90 PolarHBondContact NE1-OD1 3.09Å; Y35-N90 HydrophobicContact CD1-CB 4.49Å; Y35-N90 WeakPolarHBondContact CD1-OD1 3.31Å; Y35-N90 HydrophobicContact CD2-CB 3.84Å; Y35-N90 HydrophobicContact CE1-CB 4.23Å; Y35-N90 HydrophobicContact CE2-CB 3.56Å; Y35-N90 HydrophobicContact CG-CB 4.32Å; M86-N90 VanDerWaalsContact O-CB 3.29Å; M86-N90 WeakPolarHBondContact O-CB 3.16Å; M86-N90 PolarHBondContact O-N 3.14Å; G87-N90 PolarHBondContact O-N 3.44Å; A88-N90 VanDerWaalsContact C-N 3.33Å; A88-N90 PolarHBondContact O-N 3.46Å; N90-V92 VanDerWaalsContact C-N 3.27Å; N90-V92 PolarHBondContact O-N 3.41Å; N90-V93 PolarHBondContact O-N 2.89Å; N90-E94 PolarHBondContact ND2-OE1 3.34Å; N90-E94 PolarHBondContact ND2-OE2 3.32Å; N90-E94 WeakPolarHBondContact O-CB 3.38Å; N90-E94 WeakPolarHBondContact O-CG 3.44Å; N90-E94 PolarHBondContact O-N 3.44Å
91T98.5Very high97.8Very high47 Ų4752.2 Ų52.229%0.28827%0.273SS..Hα-helixtrans-58.3-42.2176.2-52.50000111G87 A88 L89 N95 V105G87-T91 PolarHBondContact O-N 2.73Å; G87-T91 PolarHBondContact O-OG1 2.67Å; A88-T91 WeakPolarHBondContact O-CB 3.32Å; A88-T91 PolarHBondContact O-N 3.28Å; L89-T91 VanDerWaalsContact C-N 3.33Å; L89-T91 PolarHBondContact O-N 3.5Å; T91-N95 WeakPolarHBondContact O-CB 3.38Å; T91-N95 PolarHBondContact O-N 2.89Å; T91-N95 PolarHBondContact O-ND2 3.05Å; T91-V105 HydrophobicContact CG2-CG2 3.8Å
92V98.3Very high97.7Very high2 Ų250.8 Ų50.81%0.01227%0.266CS..Hα-helixtrans-63.7-50.2176.4170.70000111.2A88 L89 N90 N95 L96 V102 V105 L106 L154A88-V92 WeakPolarHBondContact O-CG2 3.34Å; A88-V92 PolarHBondContact O-N 2.94Å; A88-V92 VanDerWaalsContact O-N 3.07Å; L89-V92 WeakPolarHBondContact O-CB 3.32Å; L89-V92 PolarHBondContact O-N 3.32Å; L89-V92 VanDerWaalsContact O-N 3.14Å; N90-V92 VanDerWaalsContact C-N 3.27Å; N90-V92 PolarHBondContact O-N 3.41Å; V92-N95 CarbonylContact O-C 3.23Å; V92-N95 PolarHBondContact O-N 3.49Å; V92-L96 HydrophobicContact CG1-CD2 4.38Å; V92-L96 PolarHBondContact O-N 3.39Å; V92-L96 VanDerWaalsContact O-N 3.14Å; V92-V102 HydrophobicContact CG1-CG1 4.19Å; V92-V105 HydrophobicContact CG2-CB 4.34Å; V92-V105 HydrophobicContact CG2-CG1 3.8Å; V92-L106 HydrophobicContact CG2-CD1 4.49Å; V92-L106 HydrophobicContact CG2-CD2 3.91Å; V92-L106 HydrophobicContact CG2-CG 3.97Å; V92-L154 HydrophobicContact CG1-CD1 4.46Å
93V97.9Very high97.7Very high3 Ų353 Ų532%0.01828%0.282CS..Hα-helixtrans-65.1-42.9-174.7171.80000112.1V27 Q28 W31 L89 N90 N95 L96 L154V27-V93 HydrophobicContact CG1-CG1 4.08Å; V27-V93 HydrophobicContact CG1-CG2 4.32Å; Q28-V93 HydrophobicContact CB-CG1 4.39Å; Q28-V93 HydrophobicContact CG-CG1 3.77Å; Q28-V93 WeakPolarHBondContact CG-O 3.47Å; Q28-V93 PolarHBondContact NE2-O 3.47Å; W31-V93 HydrophobicContact CB-CB 4.49Å; W31-V93 HydrophobicContact CB-CG1 3.71Å; W31-V93 HydrophobicContact CB-CG2 4.45Å; W31-V93 HydrophobicContact CD2-CB 4.33Å; W31-V93 HydrophobicContact CD2-CG1 4.47Å; W31-V93 HydrophobicContact CD2-CG2 3.93Å; W31-V93 HydrophobicContact CE3-CG2 4.28Å; W31-V93 HydrophobicContact CG-CB 3.95Å; W31-V93 HydrophobicContact CG-CG1 3.64Å; W31-V93 HydrophobicContact CG-CG2 3.95Å; L89-V93 WeakPolarHBondContact O-CG2 3.39Å; L89-V93 PolarHBondContact O-N 3.04Å; N90-V93 PolarHBondContact O-N 2.89Å; V93-N95 PolarHBondContact O-N 2.73Å; V93-L96 HydrophobicContact CG1-CD1 4.45Å; V93-L96 WeakPolarHBondContact O-CG 3.39Å; V93-L96 PolarHBondContact O-N 3.46Å; V93-L154 HydrophobicContact CG2-CD2 4.11Å
94E98.1Very high97.7Very high107 Ų10753.5 Ų53.550%0.529%0.286SS..Hα-helixtrans-63-31.6176.2-72.5-179.1172.700112N90 H97N90-E94 PolarHBondContact ND2-OE1 3.34Å; N90-E94 PolarHBondContact ND2-OE2 3.32Å; N90-E94 WeakPolarHBondContact O-CB 3.38Å; N90-E94 WeakPolarHBondContact O-CG 3.44Å; N90-E94 PolarHBondContact O-N 3.44Å; E94-H97 PolarHBondContact O-CE1 3.46Å; E94-H97 VanDerWaalsContact O-CE1 3.26Å; E94-H97 PolarHBondContact O-ND1 2.91Å; E94-H97 VanDerWaalsContact O-ND1 3.11Å
95N98.2Very high97.7Very high35 Ų3545.8 Ų45.819%0.18726%0.259CS..THydrogen-bonded Turntrans-101.617-175.7-65.5-87.6000113.8T91 V92 V93 H97 D98 K101 V102T91-N95 WeakPolarHBondContact O-CB 3.38Å; T91-N95 PolarHBondContact O-N 2.89Å; T91-N95 PolarHBondContact O-ND2 3.05Å; V92-N95 CarbonylContact O-C 3.23Å; V92-N95 PolarHBondContact O-N 3.49Å; V93-N95 PolarHBondContact O-N 2.73Å; N95-H97 PolarHBondContact O-N 3.2Å; N95-D98 CarbonylContact O-C 3.49Å; N95-D98 PolarHBondContact O-N 3Å; N95-D98 VanDerWaalsContact O-O 3.14Å; N95-K101 HydrophobicContact CB-CB 4.16Å; N95-K101 HydrophobicContact CB-CG 3.68Å; N95-V102 HydrophobicContact CB-CG2 4.42Å; N95-V102 VanDerWaalsContact O-CG2 3.24Å; N95-V102 WeakPolarHBondContact O-CG2 3.42Å
96L97.4Very high97.7Very high15 Ų1544.9 Ų44.98%0.07925%0.254CS..THydrogen-bonded Turntrans-58.9-12.6177-73171.8000114.7R24 V27 V92 V93 L154R24-L96 WeakPolarHBondContact CD-O 3.49Å; R24-L96 HydrophobicContact CG-CB 3.98Å; R24-L96 HydrophobicContact CG-CD1 4.45Å; V27-L96 HydrophobicContact CG1-CD1 3.9Å; V92-L96 HydrophobicContact CG1-CD2 4.38Å; V92-L96 PolarHBondContact O-N 3.39Å; V92-L96 VanDerWaalsContact O-N 3.14Å; V93-L96 HydrophobicContact CG1-CD1 4.45Å; V93-L96 WeakPolarHBondContact O-CG 3.39Å; V93-L96 PolarHBondContact O-N 3.46Å; L96-L154 HydrophobicContact CD1-CD1 4.42Å; L96-L154 HydrophobicContact CD2-CD1 3.88Å
97H95.6Very high97.7Very high126 Ų12645.7 Ų45.758%0.58326%0.261SS*.THydrogen-bonded Turntrans-84.3-13.5173.665-84.9000113.5E94 N95E94-H97 PolarHBondContact O-CE1 3.46Å; E94-H97 VanDerWaalsContact O-CE1 3.26Å; E94-H97 PolarHBondContact O-ND1 2.91Å; E94-H97 VanDerWaalsContact O-ND1 3.11Å; N95-H97 PolarHBondContact O-N 3.2Å
98D97.4Very high97.7Very high61 Ų6151 Ų5133%0.32628%0.283SS..  trans-120.194.4-179.1-178.9-16.8000109.4N95 D100 K101 V102N95-D98 CarbonylContact O-C 3.49Å; N95-D98 PolarHBondContact O-N 3Å; N95-D98 VanDerWaalsContact O-O 3.14Å; D98-D100 VanDerWaalsContact C-N 3.28Å; D98-D100 PolarHBondContact O-N 2.92Å; D98-D100 PolarHBondContact OD1-N 3.06Å; D98-D100 VanDerWaalsContact OD1-N 3.15Å; D98-K101 HydrophobicContact CB-CB 3.88Å; D98-K101 PolarHBondContact O-N 3.31Å; D98-K101 PolarHBondContact OD1-N 3.27Å; D98-K101 WeakPolarHBondContact OD2-CB 3.48Å; D98-V102 WeakPolarHBondContact O-CG2 3.4Å; D98-V102 PolarHBondContact O-N 3.47Å
99P95.2Very high97.8Very high95 Ų9551.1 Ų51.162%0.61728%0.281SS*.Hα-helixtrans-60.1-34.6-178.5-24.734.9000113.8V102 S103P99-V102 PolarHBondContact O-N 2.87Å; P99-S103 VanDerWaalsContact O-CB 3.29Å; P99-S103 WeakPolarHBondContact O-CB 3.44Å; P99-S103 PolarHBondContact O-N 3.34Å
100D96.8Very high97.8Very high132 Ų13250 Ų5071%0.70628%0.276SS*.Hα-helixtrans-69-42.2-179.4-69.8-27.9000110.2D98 S103 S104D98-D100 VanDerWaalsContact C-N 3.28Å; D98-D100 PolarHBondContact O-N 2.92Å; D98-D100 PolarHBondContact OD1-N 3.06Å; D98-D100 VanDerWaalsContact OD1-N 3.15Å; D100-S103 PolarHBondContact O-N 3.34Å; D100-S104 WeakPolarHBondContact O-CB 3.46Å; D100-S104 PolarHBondContact O-N 2.93Å; D100-S104 PolarHBondContact O-OG 3.28Å
101K97.8Very high97.8Very high86 Ų8653 Ų5337%0.37429%0.287SS..Hα-helixtrans-61.8-47.7174.5-176.659.6174-1750111.5N95 D98 S103 S104 V105N95-K101 HydrophobicContact CB-CB 4.16Å; N95-K101 HydrophobicContact CB-CG 3.68Å; D98-K101 HydrophobicContact CB-CB 3.88Å; D98-K101 PolarHBondContact O-N 3.31Å; D98-K101 PolarHBondContact OD1-N 3.27Å; D98-K101 WeakPolarHBondContact OD2-CB 3.48Å; K101-S103 VanDerWaalsContact C-N 3.34Å; K101-S103 PolarHBondContact O-N 2.87Å; K101-S104 PolarHBondContact O-N 3.09Å; K101-S104 PolarHBondContact O-OG 3.37Å; K101-V105 HydrophobicContact CD-CG2 4.39Å; K101-V105 WeakPolarHBondContact O-CG2 3.24Å; K101-V105 PolarHBondContact O-N 3.39Å; K101-V105 VanDerWaalsContact O-N 3.09Å
102V97.9Very high97.8Very high5 Ų552.4 Ų52.43%0.0329%0.287CS..Hα-helixtrans-58.2-47.7177.3170.20000111.1V92 N95 D98 P99 S104 V105 L106 L157V92-V102 HydrophobicContact CG1-CG1 4.19Å; N95-V102 HydrophobicContact CB-CG2 4.42Å; N95-V102 VanDerWaalsContact O-CG2 3.24Å; N95-V102 WeakPolarHBondContact O-CG2 3.42Å; D98-V102 WeakPolarHBondContact O-CG2 3.4Å; D98-V102 PolarHBondContact O-N 3.47Å; P99-V102 PolarHBondContact O-N 2.87Å; V102-S104 PolarHBondContact O-N 3.34Å; V102-V105 PolarHBondContact O-N 2.71Å; V102-L106 HydrophobicContact CG1-CD1 3.73Å; V102-L106 WeakPolarHBondContact O-CG 3.37Å; V102-L106 PolarHBondContact O-N 2.81Å; V102-L157 HydrophobicContact CG1-CD2 3.67Å
103S97.3Very high97.8Very high48 Ų4854 Ų5434%0.33630%0.295SS..Hα-helixtrans-59.2-45.7177.8-1700000111.7P99 D100 K101 V105 L106 A107P99-S103 VanDerWaalsContact O-CB 3.29Å; P99-S103 WeakPolarHBondContact O-CB 3.44Å; P99-S103 PolarHBondContact O-N 3.34Å; D100-S103 PolarHBondContact O-N 3.34Å; K101-S103 VanDerWaalsContact C-N 3.34Å; K101-S103 PolarHBondContact O-N 2.87Å; S103-V105 PolarHBondContact O-N 3.3Å; S103-L106 PolarHBondContact O-N 3.19Å; S103-A107 WeakPolarHBondContact O-CB 3.46Å; S103-A107 PolarHBondContact O-N 3.43Å
104S98.3Very high97.8Very high61 Ų6153.9 Ų53.943%0.42729%0.294SS..Hα-helixtrans-61.6-41.518075.60000113D100 K101 V102 L108D100-S104 WeakPolarHBondContact O-CB 3.46Å; D100-S104 PolarHBondContact O-N 2.93Å; D100-S104 PolarHBondContact O-OG 3.28Å; K101-S104 PolarHBondContact O-N 3.09Å; K101-S104 PolarHBondContact O-OG 3.37Å; V102-S104 PolarHBondContact O-N 3.34Å; S104-L108 WeakPolarHBondContact O-CB 3.46Å; S104-L108 PolarHBondContact O-N 2.9Å; S104-L108 VanDerWaalsContact O-N 3.07Å
105V98.6Very high97.8Very high23 Ų2353.2 Ų53.214%0.13929%0.294CS..Hα-helixtrans-68.3-49179.8172.70000110.2T91 V92 K101 V102 S103 A107 L108 V109T91-V105 HydrophobicContact CG2-CG2 3.8Å; V92-V105 HydrophobicContact CG2-CB 4.34Å; V92-V105 HydrophobicContact CG2-CG1 3.8Å; K101-V105 HydrophobicContact CD-CG2 4.39Å; K101-V105 WeakPolarHBondContact O-CG2 3.24Å; K101-V105 PolarHBondContact O-N 3.39Å; K101-V105 VanDerWaalsContact O-N 3.09Å; V102-V105 PolarHBondContact O-N 2.71Å; S103-V105 PolarHBondContact O-N 3.3Å; V105-A107 VanDerWaalsContact C-N 3.34Å; V105-A107 PolarHBondContact O-N 3.07Å; V105-L108 PolarHBondContact O-N 3.41Å; V105-V109 WeakPolarHBondContact O-CG2 3.46Å; V105-V109 PolarHBondContact O-N 2.95Å
106L98.3Very high97.7Very high6 Ų659.3 Ų59.33%0.03132%0.319CS..Hα-helixtrans-69.1-32.5-178.7-68.3171.7000112.2V92 V102 S103 V109 G110 L157 I158 H161 V162V92-L106 HydrophobicContact CG2-CD1 4.49Å; V92-L106 HydrophobicContact CG2-CD2 3.91Å; V92-L106 HydrophobicContact CG2-CG 3.97Å; V102-L106 HydrophobicContact CG1-CD1 3.73Å; V102-L106 WeakPolarHBondContact O-CG 3.37Å; V102-L106 PolarHBondContact O-N 2.81Å; S103-L106 PolarHBondContact O-N 3.19Å; L106-V109 PolarHBondContact O-N 2.88Å; L106-G110 PolarHBondContact O-N 3.3Å; L106-L157 HydrophobicContact CD1-CD2 3.74Å; L106-I158 HydrophobicContact CD1-CG1 4.48Å; L106-I158 HydrophobicContact CD2-CG1 4.4Å; L106-I158 HydrophobicContact CD2-CG2 4.14Å; L106-H161 HydrophobicContact CB-CB 3.64Å; L106-H161 HydrophobicContact CD1-CB 3.62Å; L106-H161 HydrophobicContact CG-CB 4.26Å; L106-V162 HydrophobicContact CD2-CG2 4.33Å
107A98.2Very high97.7Very high20 Ų2062.8 Ų62.817%0.16533%0.334CS..Hα-helixtrans-64.6-44.1171.900000111.7S103 V105 V109 G110 K111 A165S103-A107 WeakPolarHBondContact O-CB 3.46Å; S103-A107 PolarHBondContact O-N 3.43Å; V105-A107 VanDerWaalsContact C-N 3.34Å; V105-A107 PolarHBondContact O-N 3.07Å; A107-V109 PolarHBondContact O-N 2.98Å; A107-G110 PolarHBondContact O-N 3.28Å; A107-K111 WeakPolarHBondContact O-CB 3.3Å; A107-K111 VanDerWaalsContact O-CG 3.23Å; A107-K111 WeakPolarHBondContact O-CG 3.34Å; A107-K111 PolarHBondContact O-N 2.88Å; A107-A165 HydrophobicContact CB-CB 4.48Å
108L98.5Very high97.8Very high130 Ų13062.4 Ų62.468%0.68133%0.331SS*.Hα-helixtrans-60.5-46.7176-179.366000111.3S104 V105 A112S104-L108 WeakPolarHBondContact O-CB 3.46Å; S104-L108 PolarHBondContact O-N 2.9Å; S104-L108 VanDerWaalsContact O-N 3.07Å; V105-L108 PolarHBondContact O-N 3.41Å; L108-A112 WeakPolarHBondContact O-CB 3.32Å; L108-A112 PolarHBondContact O-N 3.44Å; L108-A112 VanDerWaalsContact O-N 3.08Å
109V98.5Very high97.8Very high34 Ų3460.1 Ų60.121%0.20632%0.319CS..Hα-helixtrans-60.6-52.2176.7171.30000110.4A88 V105 L106 A107 A112 H113 F124A88-V109 HydrophobicContact CB-CG2 4.35Å; V105-V109 WeakPolarHBondContact O-CG2 3.46Å; V105-V109 PolarHBondContact O-N 2.95Å; L106-V109 PolarHBondContact O-N 2.88Å; A107-V109 PolarHBondContact O-N 2.98Å; V109-A112 PolarHBondContact O-N 3.05Å; V109-H113 PolarHBondContact O-N 3.32Å; V109-H113 PolarHBondContact O-ND1 3.01Å; V109-F124 HydrophobicContact CG1-CE1 4.07Å; V109-F124 HydrophobicContact CG1-CZ 4.3Å
110G98.3Very high97.8Very high0 Ų057.8 Ų57.80%030%0.3CS..Hα-helixtrans-60-48.9-177.900000112.5L106 A107 A112 H113 A114 Y166L106-G110 PolarHBondContact O-N 3.3Å; A107-G110 PolarHBondContact O-N 3.28Å; G110-A112 VanDerWaalsContact C-N 3.35Å; G110-A112 PolarHBondContact O-N 3.37Å; G110-H113 PolarHBondContact O-N 3.34Å; G110-A114 WeakPolarHBondContact O-CB 3.41Å; G110-A114 PolarHBondContact O-N 3.27Å; G110-Y166 VanDerWaalsContact O-CE2 3.28Å; G110-Y166 WeakPolarHBondContact O-CE2 3.25Å
111K98.4Very high97.7Very high76 Ų7651.6 Ų51.633%0.3327%0.267SS..Hα-helixtrans-61.9-40.8178.9-69179.6178.3170.80112.1A107 A114 L115 A165 E168 V169A107-K111 WeakPolarHBondContact O-CB 3.3Å; A107-K111 VanDerWaalsContact O-CG 3.23Å; A107-K111 WeakPolarHBondContact O-CG 3.34Å; A107-K111 PolarHBondContact O-N 2.88Å; K111-A114 PolarHBondContact O-N 3.17Å; K111-L115 VanDerWaalsContact O-CB 3.3Å; K111-L115 WeakPolarHBondContact O-CB 3.23Å; K111-L115 PolarHBondContact O-N 3.08Å; K111-A165 HydrophobicContact CG-CB 4.24Å; K111-E168 WeakPolarHBondContact CE-OE2 3.25Å; K111-E168 IonicContact NZ-OE2 2.72Å; K111-E168 PolarHBondContact NZ-OE2 2.7Å; K111-V169 HydrophobicContact CB-CG1 4.36Å; K111-V169 HydrophobicContact CD-CG1 4.07Å; K111-V169 HydrophobicContact CG-CG1 3.7Å
112A98.4Very high97.6Very high35 Ų3549 Ų4929%0.28926%0.258SS..Hα-helixtrans-63-44.8175.800000111.8L108 V109 G110 K116 H117L108-A112 WeakPolarHBondContact O-CB 3.32Å; L108-A112 PolarHBondContact O-N 3.44Å; L108-A112 VanDerWaalsContact O-N 3.08Å; V109-A112 PolarHBondContact O-N 3.05Å; G110-A112 VanDerWaalsContact C-N 3.35Å; G110-A112 PolarHBondContact O-N 3.37Å; A112-K116 WeakPolarHBondContact O-CA 3.43Å; A112-K116 VanDerWaalsContact O-CB 3.27Å; A112-K116 WeakPolarHBondContact O-CB 3.37Å; A112-K116 PolarHBondContact O-N 2.98Å; A112-H117 PolarHBondContact O-CD2 3.41Å; A112-H117 PolarHBondContact O-N 3.02Å
113H98.6Very high97.5Very high36 Ų3649.5 Ų49.517%0.16726%0.26CS..Hα-helixtrans-68.9-36.4180-71.977.9000112.5V109 G110 H117 K118 V119 F124 Y166V109-H113 PolarHBondContact O-N 3.32Å; V109-H113 PolarHBondContact O-ND1 3.01Å; G110-H113 PolarHBondContact O-N 3.34Å; H113-H117 CarbonylContact O-C 3.44Å; H113-K118 PolarHBondContact O-N 2.83Å; H113-V119 HydrophobicContact CB-CB 4.36Å; H113-V119 PolarHBondContact O-N 3.43Å; H113-F124 HydrophobicContact CB-CE2 3.76Å; H113-F124 HydrophobicContact CB-CZ 3.7Å; H113-F124 AromaticContact CD2-CZ 3.66Å; H113-F124 AromaticContact CG-CE2 3.96Å; H113-F124 AromaticContact CG-CZ 3.47Å; H113-F124 VanDerWaalsContact CG-CZ 3.47Å; H113-F124 AromaticContact ND1-CZ 3.84Å; H113-Y166 HydrophobicContact CB-CE2 4.24Å; H113-Y166 VanDerWaalsContact CB-OH 3.31Å; H113-Y166 WeakPolarHBondContact CB-OH 3.48Å
114A97.9Very high97.5Very high1 Ų148.6 Ų48.61%0.00825%0.25CC..Hα-helixtrans-69.6-50.8175.600000112.8G110 K111 K118 Y166 V169 W171G110-A114 WeakPolarHBondContact O-CB 3.41Å; G110-A114 PolarHBondContact O-N 3.27Å; K111-A114 PolarHBondContact O-N 3.17Å; A114-K118 WeakPolarHBondContact O-CD 3.48Å; A114-Y166 HydrophobicContact CB-CD1 3.58Å; A114-Y166 HydrophobicContact CB-CD2 3.93Å; A114-Y166 HydrophobicContact CB-CE1 3.58Å; A114-Y166 HydrophobicContact CB-CE2 3.93Å; A114-Y166 HydrophobicContact CB-CG 3.79Å; A114-Y166 PolarHBondContact N-OH 2.95Å; A114-V169 HydrophobicContact CB-CG2 3.7Å; A114-W171 HydrophobicContact CB-CE3 4.19Å; A114-W171 WeakPolarHBondContact O-CZ3 3.49Å
115L97.4Very high97.2Very high92 Ų9251.1 Ų51.148%0.48225%0.253SS..Hα-helixtrans-88.6-43-169-67.9178.6000113.4K111 K118 V169K111-L115 VanDerWaalsContact O-CB 3.3Å; K111-L115 WeakPolarHBondContact O-CB 3.23Å; K111-L115 PolarHBondContact O-N 3.08Å; L115-K118 WeakPolarHBondContact O-CD 3.49Å; L115-K118 WeakPolarHBondContact O-CE 3.18Å; L115-K118 PolarHBondContact O-NZ 3.47Å; L115-V169 HydrophobicContact CD1-CB 4.12Å; L115-V169 HydrophobicContact CD1-CG1 3.87Å; L115-V169 HydrophobicContact CD2-CB 3.94Å; L115-V169 HydrophobicContact CD2-CG2 4.04Å; L115-V169 HydrophobicContact CG-CB 4.04Å; L115-V169 HydrophobicContact CG-CG1 4.23Å; L115-V169 HydrophobicContact CG-CG2 4.05Å
116K97.4Very high97Very high164 Ų16451.8 Ų51.871%0.71326%0.255SS*.THydrogen-bonded Turntrans-91-46.1-174.5-178.7-179.71791770111.8A112A112-K116 WeakPolarHBondContact O-CA 3.43Å; A112-K116 VanDerWaalsContact O-CB 3.27Å; A112-K116 WeakPolarHBondContact O-CB 3.37Å; A112-K116 PolarHBondContact O-N 2.98Å
117H97.5Very high96.9Very high88 Ų8852.7 Ų52.741%0.40726%0.26SS..SBendtrans-94.6-14.9-173-55.5-61.5000113.5A112 H113 V119A112-H117 PolarHBondContact O-CD2 3.41Å; A112-H117 PolarHBondContact O-N 3.02Å; H113-H117 CarbonylContact O-C 3.44Å; H117-V119 HydrophobicContact CB-CG2 3.73Å; H117-V119 PolarHBondContact O-N 3.07Å
118K97.2Very high96.6Very high117 Ų11752.2 Ų52.251%0.50926%0.256SS..  trans52.638.2-178.9-51.9-50.3-162.4-171.70112.9Y59 H113 A114 L115Y59-K118 VanDerWaalsContact CE1-O 3.26Å; Y59-K118 WeakPolarHBondContact CE1-O 3.48Å; H113-K118 PolarHBondContact O-N 2.83Å; A114-K118 WeakPolarHBondContact O-CD 3.48Å; L115-K118 WeakPolarHBondContact O-CD 3.49Å; L115-K118 WeakPolarHBondContact O-CE 3.18Å; L115-K118 PolarHBondContact O-NZ 3.47Å
119V97.6Very high96.3Very high13 Ų1346.4 Ų46.48%0.07923%0.227CC..  trans-78.9131.8-177.2176.30000109.9Y59 H113 H117 Y123 F124 Y166Y59-V119 HydrophobicContact CD1-CG2 3.99Å; Y59-V119 HydrophobicContact CD2-CG1 4.34Å; Y59-V119 HydrophobicContact CD2-CG2 4.06Å; Y59-V119 HydrophobicContact CE1-CG2 4.31Å; Y59-V119 HydrophobicContact CE2-CB 4.45Å; Y59-V119 HydrophobicContact CE2-CG1 4.06Å; Y59-V119 HydrophobicContact CE2-CG2 4.36Å; Y59-V119 HydrophobicContact CG-CG2 3.86Å; H113-V119 HydrophobicContact CB-CB 4.36Å; H113-V119 PolarHBondContact O-N 3.43Å; H117-V119 HydrophobicContact CB-CG2 3.73Å; H117-V119 PolarHBondContact O-N 3.07Å; V119-Y123 HydrophobicContact CG1-CD2 4.18Å; V119-F124 HydrophobicContact CG1-CE2 4.46Å; V119-Y166 WeakPolarHBondContact O-CE1 3.45Å; V119-Y166 PolarHBondContact O-OH 2.81Å
120E96Very high96.2Very high46 Ų4644.9 Ų44.922%0.21522%0.218CC..  trans-63.2130.9174.5-72.7-66.1157.600111.2Y59 V122 Y123Y59-E120 WeakPolarHBondContact OH-CG 3.43Å; Y59-E120 PolarHBondContact OH-N 2.84Å; Y59-E120 VanDerWaalsContact OH-N 3.13Å; E120-V122 HydrophobicContact CB-CG1 4.02Å; E120-V122 PolarHBondContact O-N 2.94Å; E120-Y123 HydrophobicContact CB-CD2 3.77Å; E120-Y123 HydrophobicContact CB-CE2 3.82Å; E120-Y123 HydrophobicContact CG-CE2 4.4Å; E120-Y123 WeakPolarHBondContact O-CD2 3.43Å; E120-Y123 PolarHBondContact O-N 3.49Å; E120-Y123 VanDerWaalsContact O-N 3.07Å
121P94.2Very high95.8Very high2 Ų245.7 Ų45.71%0.01322%0.222CC..THydrogen-bonded Turntrans-57-27.1-177.3-2227.3000114.3Y123 F124 T163 Y166 Q173P121-Y123 PolarHBondContact O-N 3.16Å; P121-F124 WeakPolarHBondContact O-CB 3.39Å; P121-F124 PolarHBondContact O-N 3.03Å; P121-T163 HydrophobicContact CB-CG2 4.43Å; P121-Y166 HydrophobicContact CB-CD1 4.46Å; P121-Y166 HydrophobicContact CB-CE1 4.45Å; P121-Y166 HydrophobicContact CG-CD1 3.56Å; P121-Y166 HydrophobicContact CG-CE1 3.66Å; P121-Y166 HydrophobicContact CG-CG 4.24Å; P121-Q173 HydrophobicContact CG-CG 4.26Å
122V94.3Very high95.5Very high33 Ų3343.7 Ų43.720%0.222%0.215CC..Hα-helixtrans-57.1-31.7178.969.20000112.1E120 F124 K125 I126E120-V122 HydrophobicContact CB-CG1 4.02Å; E120-V122 PolarHBondContact O-N 2.94Å; V122-F124 VanDerWaalsContact C-N 3.29Å; V122-F124 PolarHBondContact O-N 2.9Å; V122-K125 WeakPolarHBondContact O-CB 3.48Å; V122-K125 PolarHBondContact O-N 3.37Å; V122-K125 VanDerWaalsContact O-N 3.11Å; V122-I126 HydrophobicContact CG2-CD1 4.05Å; V122-I126 HydrophobicContact CG2-CG1 4.42Å; V122-I126 WeakPolarHBondContact O-CG1 3.04Å; V122-I126 PolarHBondContact O-N 2.93Å
123Y96.9Very high95.1Very high14 Ų1446.7 Ų46.76%0.05522%0.223CC..Hα-helixtrans-68.2-26.4178.7-66.4-60.1000112.9F49 S55 A56 Y59 V119 E120 P121 I126 L127F49-Y123 HydrophobicContact CE2-CD1 4.22Å; F49-Y123 AromaticContact CZ-CD1 3.83Å; F49-Y123 HydrophobicContact CZ-CD1 3.83Å; F49-Y123 HydrophobicContact CZ-CG 4.28Å; S55-Y123 WeakPolarHBondContact CB-OH 3.47Å; S55-Y123 PolarHBondContact OG-OH 3.31Å; A56-Y123 HydrophobicContact CB-CD1 3.67Å; A56-Y123 HydrophobicContact CB-CE1 3.59Å; A56-Y123 HydrophobicContact CB-CG 4.31Å; Y59-Y123 AromaticContact CE2-CD2 3.65Å; Y59-Y123 HydrophobicContact CE2-CD2 3.65Å; Y59-Y123 AromaticContact CE2-CE2 3.51Å; Y59-Y123 HydrophobicContact CE2-CE2 3.51Å; Y59-Y123 AromaticContact CZ-CE2 3.95Å; Y59-Y123 WeakPolarHBondContact OH-CE2 3.36Å; V119-Y123 HydrophobicContact CG1-CD2 4.18Å; E120-Y123 HydrophobicContact CB-CD2 3.77Å; E120-Y123 HydrophobicContact CB-CE2 3.82Å; E120-Y123 HydrophobicContact CG-CE2 4.4Å; E120-Y123 WeakPolarHBondContact O-CD2 3.43Å; E120-Y123 PolarHBondContact O-N 3.49Å; E120-Y123 VanDerWaalsContact O-N 3.07Å; P121-Y123 PolarHBondContact O-N 3.16Å; Y123-I126 HydrophobicContact CD1-CD1 4.18Å; Y123-I126 PolarHBondContact O-N 2.85Å; Y123-L127 WeakPolarHBondContact O-CB 3.45Å; Y123-L127 PolarHBondContact O-N 2.86Å
124F96.3Very high94.7Very high30 Ų3045.7 Ų45.713%0.13222%0.219CC..Hα-helixtrans-68.4-39.1170-78.3-91.8000112V109 H113 V119 P121 V122 I126 S128 Y159 V162 Y166V109-F124 HydrophobicContact CG1-CE1 4.07Å; V109-F124 HydrophobicContact CG1-CZ 4.3Å; H113-F124 HydrophobicContact CB-CE2 3.76Å; H113-F124 HydrophobicContact CB-CZ 3.7Å; H113-F124 AromaticContact CD2-CZ 3.66Å; H113-F124 AromaticContact CG-CE2 3.96Å; H113-F124 AromaticContact CG-CZ 3.47Å; H113-F124 VanDerWaalsContact CG-CZ 3.47Å; H113-F124 AromaticContact ND1-CZ 3.84Å; V119-F124 HydrophobicContact CG1-CE2 4.46Å; P121-F124 WeakPolarHBondContact O-CB 3.39Å; P121-F124 PolarHBondContact O-N 3.03Å; V122-F124 VanDerWaalsContact C-N 3.29Å; V122-F124 PolarHBondContact O-N 2.9Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-S128 VanDerWaalsContact O-CB 3.31Å; F124-S128 WeakPolarHBondContact O-CB 3.48Å; F124-S128 PolarHBondContact O-N 2.99Å; F124-S128 PolarHBondContact O-OG 2.9Å; F124-Y159 HydrophobicContact CB-CD2 4.26Å; F124-V162 HydrophobicContact CB-CG1 4.5Å; F124-V162 HydrophobicContact CD1-CB 4.42Å; F124-V162 HydrophobicContact CD1-CG1 3.85Å; F124-V162 HydrophobicContact CD1-CG2 4.12Å; F124-V162 HydrophobicContact CD2-CG1 3.89Å; F124-V162 HydrophobicContact CE1-CG1 3.93Å; F124-V162 HydrophobicContact CE1-CG2 4.1Å; F124-V162 HydrophobicContact CE2-CG1 3.97Å; F124-V162 HydrophobicContact CG-CG1 3.83Å; F124-V162 HydrophobicContact CZ-CG1 3.97Å; F124-Y166 HydrophobicContact CE2-CE2 4.04Å; F124-Y166 WeakPolarHBondContact CE2-OH 3.38Å
125K92.3Very high94.1Very high113 Ų11345.7 Ų45.749%0.49122%0.219SC..Hα-helixtrans-64.1-41.1175.4-173.3177.2176.5-178.20111.5V122 S128 G129 R155 Y159V122-K125 WeakPolarHBondContact O-CB 3.48Å; V122-K125 PolarHBondContact O-N 3.37Å; V122-K125 VanDerWaalsContact O-N 3.11Å; K125-S128 PolarHBondContact O-OG 3.42Å; K125-G129 PolarHBondContact O-N 3.09Å; K125-R155 PolarHBondContact O-NH2 3.3Å; K125-Y159 HydrophobicContact CB-CD2 3.96Å; K125-Y159 HydrophobicContact CB-CE2 3.59Å; K125-Y159 HydrophobicContact CG-CE2 4.44Å
126I95.5Very high93.6Very high37 Ų3743.1 Ų43.119%0.1921%0.211CC..Hα-helixtrans-69.4-53.1178.9-65.6167.4000110.2F49 F53 V122 Y123 F124 S128 G129 V130F49-I126 HydrophobicContact CD2-CG2 3.87Å; F49-I126 HydrophobicContact CE2-CB 4.11Å; F49-I126 HydrophobicContact CE2-CG2 3.63Å; F53-I126 HydrophobicContact CD1-CD1 3.96Å; F53-I126 HydrophobicContact CD1-CG2 3.88Å; F53-I126 HydrophobicContact CD2-CG2 3.35Å; F53-I126 HydrophobicContact CE1-CD1 4.1Å; F53-I126 HydrophobicContact CE1-CG1 4.4Å; F53-I126 HydrophobicContact CE1-CG2 3.75Å; F53-I126 HydrophobicContact CE2-CG2 3.22Å; F53-I126 HydrophobicContact CG-CG2 3.69Å; F53-I126 HydrophobicContact CZ-CG2 3.43Å; F53-I126 VanDerWaalsContact CZ-CG2 3.43Å; V122-I126 HydrophobicContact CG2-CD1 4.05Å; V122-I126 HydrophobicContact CG2-CG1 4.42Å; V122-I126 WeakPolarHBondContact O-CG1 3.04Å; V122-I126 PolarHBondContact O-N 2.93Å; Y123-I126 HydrophobicContact CD1-CD1 4.18Å; Y123-I126 PolarHBondContact O-N 2.85Å; F124-I126 VanDerWaalsContact C-N 3.34Å; I126-S128 VanDerWaalsContact C-N 3.3Å; I126-S128 PolarHBondContact O-N 3.01Å; I126-G129 WeakPolarHBondContact O-CA 3.37Å; I126-G129 PolarHBondContact O-N 2.95Å; I126-V130 PolarHBondContact O-N 2.78Å
127L95.7Very high93.2Very high26 Ų2640.4 Ų40.414%0.13620%0.201CC..Hα-helixtrans-58.1-41.6-178.9178.862.4000111.9I45 L46 F49 Y123 G129 V130 I131I45-L127 HydrophobicContact CG2-CD1 3.82Å; L46-L127 HydrophobicContact CD2-CD1 4.04Å; F49-L127 HydrophobicContact CB-CD1 4.09Å; F49-L127 HydrophobicContact CD1-CD1 4.26Å; F49-L127 HydrophobicContact CD2-CB 4.38Å; F49-L127 HydrophobicContact CD2-CD1 4.39Å; F49-L127 HydrophobicContact CE2-CB 4.33Å; F49-L127 HydrophobicContact CG-CD1 4Å; Y123-L127 WeakPolarHBondContact O-CB 3.45Å; Y123-L127 PolarHBondContact O-N 2.86Å; L127-G129 PolarHBondContact O-N 3.05Å; L127-V130 PolarHBondContact O-N 3.42Å; L127-V130 VanDerWaalsContact O-N 3.16Å; L127-I131 HydrophobicContact CG-CD1 4.15Å; L127-I131 WeakPolarHBondContact O-CG1 3.24Å; L127-I131 PolarHBondContact O-N 3.38Å
128S92.3Very high92.6Very high10 Ų1042.2 Ų42.27%0.0721%0.209CC..Hα-helixtrans-63.8-26.8174.959.50000113.6F124 K125 I126 L132 R155F124-S128 VanDerWaalsContact O-CB 3.31Å; F124-S128 WeakPolarHBondContact O-CB 3.48Å; F124-S128 PolarHBondContact O-N 2.99Å; F124-S128 PolarHBondContact O-OG 2.9Å; K125-S128 PolarHBondContact O-OG 3.42Å; I126-S128 VanDerWaalsContact C-N 3.3Å; I126-S128 PolarHBondContact O-N 3.01Å; S128-L132 VanDerWaalsContact O-CD1 3.24Å; S128-L132 WeakPolarHBondContact O-CD1 3.45Å; S128-L132 PolarHBondContact O-N 3.43Å; S128-R155 PolarHBondContact OG-NE 3.18Å
129G92.1Very high91.9Very high7 Ų736.9 Ų36.97%0.07219%0.186CC..Hα-helixtrans-69.5-48.4169.500000112K125 I126 L127 I131 L132 E133K125-G129 PolarHBondContact O-N 3.09Å; I126-G129 WeakPolarHBondContact O-CA 3.37Å; I126-G129 PolarHBondContact O-N 2.95Å; L127-G129 PolarHBondContact O-N 3.05Å; G129-I131 VanDerWaalsContact C-N 3.28Å; G129-I131 PolarHBondContact O-N 3.17Å; G129-L132 WeakPolarHBondContact O-CB 3.46Å; G129-L132 PolarHBondContact O-N 2.93Å; G129-E133 PolarHBondContact O-N 3Å
130V95.5Very high91.1Very high3 Ų339.7 Ų39.72%0.01821%0.211CC..Hα-helixtrans-59.1-39.4177.8178.60000111.6I45 R48 F49 F53 I126 L127 L132 E133 V134I45-V130 HydrophobicContact CG2-CG1 4.38Å; R48-V130 HydrophobicContact CB-CG1 4.09Å; R48-V130 HydrophobicContact CG-CG1 3.99Å; F49-V130 HydrophobicContact CB-CG1 4.31Å; F49-V130 HydrophobicContact CB-CG2 4.36Å; F49-V130 HydrophobicContact CD2-CG2 4.34Å; F53-V130 HydrophobicContact CE2-CG2 4.27Å; I126-V130 PolarHBondContact O-N 2.78Å; L127-V130 PolarHBondContact O-N 3.42Å; L127-V130 VanDerWaalsContact O-N 3.16Å; V130-L132 PolarHBondContact O-N 3.06Å; V130-E133 PolarHBondContact O-N 3.07Å; V130-V134 WeakPolarHBondContact O-CG2 3.48Å; V130-V134 PolarHBondContact O-N 3.22Å
131I91.4Very high90.4Very high17 Ų1745.8 Ų45.89%0.08725%0.245CC..Hα-helixtrans-58.9-47.3174.2-68.5164.6000110.6I45 L89 L127 G129 E133 V134 V135 W151I45-I131 HydrophobicContact CD1-CG1 4.24Å; I45-I131 HydrophobicContact CG2-CG1 3.72Å; L89-I131 HydrophobicContact CD1-CD1 3.8Å; L127-I131 HydrophobicContact CG-CD1 4.15Å; L127-I131 WeakPolarHBondContact O-CG1 3.24Å; L127-I131 PolarHBondContact O-N 3.38Å; G129-I131 VanDerWaalsContact C-N 3.28Å; G129-I131 PolarHBondContact O-N 3.17Å; I131-E133 VanDerWaalsContact C-N 3.34Å; I131-E133 PolarHBondContact O-N 3.18Å; I131-V134 PolarHBondContact O-N 2.83Å; I131-V135 HydrophobicContact CG2-CG2 4.15Å; I131-V135 WeakPolarHBondContact O-CG2 3.28Å; I131-V135 PolarHBondContact O-N 3.31Å; I131-W151 HydrophobicContact CG2-CZ3 4.13Å
132L90.1Very high89.9Confident33 Ų3349.8 Ų49.817%0.17327%0.266CS..Hα-helixtrans-63.8-38.3178.8-99.688.2000112.7S128 G129 V130 V135 A136 W151 R155S128-L132 VanDerWaalsContact O-CD1 3.24Å; S128-L132 WeakPolarHBondContact O-CD1 3.45Å; S128-L132 PolarHBondContact O-N 3.43Å; G129-L132 WeakPolarHBondContact O-CB 3.46Å; G129-L132 PolarHBondContact O-N 2.93Å; V130-L132 PolarHBondContact O-N 3.06Å; L132-V135 PolarHBondContact O-N 2.99Å; L132-A136 VanDerWaalsContact O-CB 3.29Å; L132-A136 WeakPolarHBondContact O-CB 3.47Å; L132-A136 PolarHBondContact O-N 3.28Å; L132-W151 HydrophobicContact CD1-CE3 4.29Å; L132-W151 HydrophobicContact CD2-CB 4.06Å; L132-W151 HydrophobicContact CG-CB 4.18Å; L132-R155 HydrophobicContact CD1-CB 3.87Å; L132-R155 HydrophobicContact CD1-CG 4.49Å
133E91.2Very high89.5Confident98 Ų9849.2 Ų49.246%0.45826%0.261SS..Hα-helixtrans-60.6-47.6175.6-70.7167.3-170.100110.8G129 V130 I131 V135 A136 E137G129-E133 PolarHBondContact O-N 3Å; V130-E133 PolarHBondContact O-N 3.07Å; I131-E133 VanDerWaalsContact C-N 3.34Å; I131-E133 PolarHBondContact O-N 3.18Å; E133-V135 PolarHBondContact O-N 3.08Å; E133-A136 PolarHBondContact O-N 3.17Å; E133-E137 WeakPolarHBondContact O-CG 3.18Å; E133-E137 PolarHBondContact O-N 2.76Å
134V89.1Confident89.2Confident15 Ų1551 Ų519%0.09128%0.275CS..Hα-helixtrans-63.1-42.3177.4172.90000111.5I45 V130 I131 E137 E138I45-V134 HydrophobicContact CD1-CG1 4.48Å; I45-V134 HydrophobicContact CG1-CB 4.02Å; I45-V134 HydrophobicContact CG1-CG1 3.95Å; I45-V134 HydrophobicContact CG1-CG2 3.9Å; V130-V134 WeakPolarHBondContact O-CG2 3.48Å; V130-V134 PolarHBondContact O-N 3.22Å; I131-V134 PolarHBondContact O-N 2.83Å; V134-E137 PolarHBondContact O-N 3.02Å; V134-E138 WeakPolarHBondContact O-CB 3.32Å; V134-E138 PolarHBondContact O-N 3.08Å
135V86Confident88.9Confident1 Ų153.5 Ų53.51%0.00629%0.294CS..Hα-helixtrans-60.5-46.7175.6176.80000110.6L34 I131 L132 E133 E137 E138 F139 F143 W151L34-V135 HydrophobicContact CD1-CB 4.38Å; L34-V135 HydrophobicContact CD1-CG1 4.38Å; L34-V135 HydrophobicContact CD1-CG2 3.53Å; I131-V135 HydrophobicContact CG2-CG2 4.15Å; I131-V135 WeakPolarHBondContact O-CG2 3.28Å; I131-V135 PolarHBondContact O-N 3.31Å; L132-V135 PolarHBondContact O-N 2.99Å; E133-V135 PolarHBondContact O-N 3.08Å; V135-E137 VanDerWaalsContact C-N 3.3Å; V135-E137 PolarHBondContact O-N 3.35Å; V135-E138 PolarHBondContact O-N 2.89Å; V135-F139 HydrophobicContact CG1-CD2 3.79Å; V135-F139 HydrophobicContact CG1-CE2 4.14Å; V135-F139 WeakPolarHBondContact O-CD2 3.27Å; V135-F139 PolarHBondContact O-N 3.41Å; V135-F143 HydrophobicContact CG1-CD2 4.27Å; V135-F143 HydrophobicContact CG1-CE2 3.49Å; V135-F143 VanDerWaalsContact CG1-CE2 3.49Å; V135-F143 HydrophobicContact CG1-CZ 3.77Å; V135-W151 HydrophobicContact CB-CH2 4.48Å; V135-W151 HydrophobicContact CG1-CD2 4.16Å; V135-W151 HydrophobicContact CG1-CH2 4.17Å; V135-W151 HydrophobicContact CG1-CZ2 3.74Å; V135-W151 HydrophobicContact CG2-CE3 4.2Å; V135-W151 HydrophobicContact CG2-CH2 3.48Å; V135-W151 VanDerWaalsContact CG2-CH2 3.48Å; V135-W151 HydrophobicContact CG2-CZ2 3.95Å; V135-W151 HydrophobicContact CG2-CZ3 3.66Å
136A88.1Confident88.8Confident38 Ų3854.3 Ų54.331%0.31430%0.299SS..Hα-helixtrans-64.6-35-178.200000112.3L132 E133 A140 F143L132-A136 VanDerWaalsContact O-CB 3.29Å; L132-A136 WeakPolarHBondContact O-CB 3.47Å; L132-A136 PolarHBondContact O-N 3.28Å; E133-A136 PolarHBondContact O-N 3.17Å; A136-A140 VanDerWaalsContact O-CA 3.25Å; A136-A140 WeakPolarHBondContact O-CA 3.27Å; A136-A140 PolarHBondContact O-N 3.2Å; A136-A140 VanDerWaalsContact O-N 3.08Å; A136-F143 HydrophobicContact CB-CD1 3.92Å; A136-F143 HydrophobicContact CB-CE1 3.85Å
137E88.2Confident88.5Confident108 Ų10853.3 Ų53.351%0.50530%0.295SS..Hα-helixtrans-70.5-46.8175-73.3169.2-158.400112.2R48 E133 V134 V135 F139 A140R48-E137 IonicContact CZ-OE1 3.96Å; R48-E137 IonicContact CZ-OE2 2.73Å; R48-E137 VanDerWaalsContact CZ-OE2 3.25Å; R48-E137 IonicContact NH1-OE1 2.61Å; R48-E137 PolarHBondContact NH1-OE1 3.2Å; R48-E137 IonicContact NH1-OE2 2.71Å; R48-E137 PolarHBondContact NH1-OE2 3.48Å; R48-E137 IonicContact NH2-OE1 2.88Å; R48-E137 IonicContact NH2-OE2 3.83Å; R48-E137 PolarHBondContact NH2-OE2 3.5Å; E133-E137 WeakPolarHBondContact O-CG 3.18Å; E133-E137 PolarHBondContact O-N 2.76Å; V134-E137 PolarHBondContact O-N 3.02Å; V135-E137 VanDerWaalsContact C-N 3.3Å; V135-E137 PolarHBondContact O-N 3.35Å; E137-F139 VanDerWaalsContact C-N 3.27Å; E137-F139 PolarHBondContact O-N 2.89Å; E137-A140 PolarHBondContact O-N 2.87Å
138E83.9Confident88.3Confident125 Ų12556.6 Ų56.658%0.58431%0.31SS*.Hα-helixtrans-63.5-34.9-179.3-171.362.9-154.200112L34 V134 V135L34-E138 HydrophobicContact CD2-CB 4.27Å; L34-E138 HydrophobicContact CD2-CG 4.01Å; V134-E138 WeakPolarHBondContact O-CB 3.32Å; V134-E138 PolarHBondContact O-N 3.08Å; V135-E138 PolarHBondContact O-N 2.89Å
139F83.7Confident88.3Confident5 Ų561.3 Ų61.32%0.02233%0.326CS..THydrogen-bonded Turntrans-10928.2179.9-54.9-68.5000113T30 R33 L34 V135 E137 N141 D142 F143T30-F139 WeakPolarHBondContact O-CZ 2.96Å; R33-F139 HydrophobicContact CB-CE1 3.85Å; R33-F139 HydrophobicContact CB-CZ 3.73Å; R33-F139 HydrophobicContact CG-CE1 4.48Å; L34-F139 HydrophobicContact CD1-CE2 3.95Å; L34-F139 HydrophobicContact CD2-CE2 3.69Å; L34-F139 HydrophobicContact CD2-CZ 3.95Å; L34-F139 HydrophobicContact CG-CE2 3.6Å; L34-F139 HydrophobicContact CG-CZ 3.84Å; V135-F139 HydrophobicContact CG1-CD2 3.79Å; V135-F139 HydrophobicContact CG1-CE2 4.14Å; V135-F139 WeakPolarHBondContact O-CD2 3.27Å; V135-F139 PolarHBondContact O-N 3.41Å; E137-F139 VanDerWaalsContact C-N 3.27Å; E137-F139 PolarHBondContact O-N 2.89Å; F139-N141 PolarHBondContact O-N 3.34Å; F139-D142 CarbonylContact O-C 3.49Å; F139-D142 WeakPolarHBondContact O-CA 3.48Å; F139-D142 PolarHBondContact O-N 3.32Å; F139-F143 HydrophobicContact CB-CB 4.14Å; F139-F143 HydrophobicContact CB-CD2 4.26Å; F139-F143 WeakPolarHBondContact O-CB 3.44Å; F139-F143 PolarHBondContact O-N 3.41Å
140A80.6Confident88.4Confident72 Ų7261 Ų6160%0.59532%0.323SS*.THydrogen-bonded Turntrans-51.6-30.9-174.600000114.5A136 E137A136-A140 VanDerWaalsContact O-CA 3.25Å; A136-A140 WeakPolarHBondContact O-CA 3.27Å; A136-A140 PolarHBondContact O-N 3.2Å; A136-A140 VanDerWaalsContact O-N 3.08Å; E137-A140 PolarHBondContact O-N 2.87Å
141N82.2Confident88.3Confident174 Ų17461.1 Ų61.193%0.9332%0.323SS*.THydrogen-bonded Turntrans-89.1-6.6177.1-62.1-45.1000114.6F139F139-N141 PolarHBondContact O-N 3.34Å
142D82.6Confident88.4Confident86 Ų8662.8 Ų62.846%0.4634%0.339SS..SBendtrans-143.137.7-170.7-166.420.6000111.4R33 F139 P144R33-D142 IonicContact NH1-OD2 3.25Å; R33-D142 PolarHBondContact NH1-OD2 3.04Å; F139-D142 CarbonylContact O-C 3.49Å; F139-D142 WeakPolarHBondContact O-CA 3.48Å; F139-D142 PolarHBondContact O-N 3.32Å; D142-P144 VanDerWaalsContact C-CD 3.47Å
143F86.8Confident88.6Confident21 Ų2162.3 Ų62.39%0.09234%0.335CS..  trans-129.165.3-179.9-153.5-122.4000111.4V135 A136 F139 T147 Q148 W151V135-F143 HydrophobicContact CG1-CD2 4.27Å; V135-F143 HydrophobicContact CG1-CE2 3.49Å; V135-F143 VanDerWaalsContact CG1-CE2 3.49Å; V135-F143 HydrophobicContact CG1-CZ 3.77Å; A136-F143 HydrophobicContact CB-CD1 3.92Å; A136-F143 HydrophobicContact CB-CE1 3.85Å; F139-F143 HydrophobicContact CB-CB 4.14Å; F139-F143 HydrophobicContact CB-CD2 4.26Å; F139-F143 WeakPolarHBondContact O-CB 3.44Å; F139-F143 PolarHBondContact O-N 3.41Å; F143-T147 HydrophobicContact CD2-CG2 3.59Å; F143-T147 HydrophobicContact CE2-CG2 3.57Å; F143-Q148 HydrophobicContact CD1-CB 4.46Å; F143-Q148 HydrophobicContact CD1-CG 3.28Å; F143-Q148 HydrophobicContact CE1-CB 4.15Å; F143-Q148 HydrophobicContact CE1-CG 3.37Å; F143-Q148 HydrophobicContact CG-CG 4.13Å; F143-Q148 HydrophobicContact CZ-CG 4.26Å; F143-Q148 PolarHBondContact O-NE2 2.82Å; F143-W151 AromaticContact CE2-CD1 3.47Å; F143-W151 VanDerWaalsContact CE2-CD1 3.47Å; F143-W151 HydrophobicContact CE2-CG 4.12Å; F143-W151 AromaticContact CE2-NE1 3.76Å; F143-W151 HydrophobicContact CZ-CB 4.16Å; F143-W151 AromaticContact CZ-CD1 3.71Å; F143-W151 AromaticContact CZ-CG 3.94Å; F143-W151 HydrophobicContact CZ-CG 3.94Å
144P89.6Confident88.8Confident53 Ų5357.9 Ų57.934%0.34432%0.315SS..  trans-65.9163.7-177.631.1-38.1000112D142 E146 T147 Q148D142-P144 VanDerWaalsContact C-CD 3.47Å; P144-E146 PolarHBondContact O-N 2.72Å; P144-E146 VanDerWaalsContact O-N 3.08Å; P144-T147 WeakPolarHBondContact CG-OG1 3.27Å; P144-T147 WeakPolarHBondContact O-CB 3.3Å; P144-T147 PolarHBondContact O-N 2.86Å; P144-Q148 PolarHBondContact O-N 2.85Å
145P90Very high89Confident82 Ų8261 Ų6153%0.53233%0.325SS..Hα-helixtrans-53.3-32.5-176.2-28.136.3000114.5R149P145-R149 WeakPolarHBondContact O-CB 3.29Å; P145-R149 PolarHBondContact O-N 3.36Å
146E89.4Confident89.4Confident129 Ų12962.8 Ų62.860%0.60334%0.344SS*.Hα-helixtrans-67.3-43.6177.4-60.573.9-161.400111.3P144 R149 A150P144-E146 PolarHBondContact O-N 2.72Å; P144-E146 VanDerWaalsContact O-N 3.08Å; E146-R149 PolarHBondContact O-N 3.5Å; E146-A150 PolarHBondContact O-N 2.98Å
147T90.7Very high89.7Confident16 Ų1662.5 Ų62.510%0.09834%0.337CS..Hα-helixtrans-66.8-42.3175.7-56.10000110.6T30 F143 P144 R149 A150 W151T30-T147 HydrophobicContact CG2-CG2 4.01Å; F143-T147 HydrophobicContact CD2-CG2 3.59Å; F143-T147 HydrophobicContact CE2-CG2 3.57Å; P144-T147 WeakPolarHBondContact CG-OG1 3.27Å; P144-T147 WeakPolarHBondContact O-CB 3.3Å; P144-T147 PolarHBondContact O-N 2.86Å; T147-R149 VanDerWaalsContact C-N 3.3Å; T147-R149 PolarHBondContact O-N 3Å; T147-A150 WeakPolarHBondContact O-CB 3.28Å; T147-A150 PolarHBondContact O-N 3.29Å; T147-W151 VanDerWaalsContact O-CD1 3.29Å; T147-W151 PolarHBondContact O-N 3.11Å
148Q90.8Very high90Very high96 Ų9658.5 Ų58.545%0.44932%0.318SS..Hα-helixtrans-56-45.7173.7-68.9173.433.200111.6F143 P144 W151 A152F143-Q148 HydrophobicContact CD1-CB 4.46Å; F143-Q148 HydrophobicContact CD1-CG 3.28Å; F143-Q148 HydrophobicContact CE1-CB 4.15Å; F143-Q148 HydrophobicContact CE1-CG 3.37Å; F143-Q148 HydrophobicContact CG-CG 4.13Å; F143-Q148 HydrophobicContact CZ-CG 4.26Å; F143-Q148 PolarHBondContact O-NE2 2.82Å; P144-Q148 PolarHBondContact O-N 2.85Å; Q148-W151 PolarHBondContact O-N 3.42Å; Q148-A152 WeakPolarHBondContact O-CB 3.38Å; Q148-A152 PolarHBondContact O-N 3.06Å
149R91.6Very high90.5Very high109 Ų10955.6 Ų55.641%0.41130%0.302SS..Hα-helixtrans-63.3-42.9177.5-167.3-175.3-56.8-148.110111.9E14 P145 E146 T147 W151 A152 K153E14-R149 IonicContact OE2-CZ 2.8Å; E14-R149 IonicContact OE2-NH1 3.83Å; E14-R149 PolarHBondContact OE2-NH1 3.39Å; P145-R149 WeakPolarHBondContact O-CB 3.29Å; P145-R149 PolarHBondContact O-N 3.36Å; E146-R149 PolarHBondContact O-N 3.5Å; T147-R149 VanDerWaalsContact C-N 3.3Å; T147-R149 PolarHBondContact O-N 3Å; R149-W151 VanDerWaalsContact C-N 3.34Å; R149-W151 PolarHBondContact O-N 3.04Å; R149-A152 WeakPolarHBondContact O-CB 3.27Å; R149-A152 PolarHBondContact O-N 3.07Å; R149-K153 PolarHBondContact O-N 3.19Å
150A94.7Very high91Very high0 Ų057.9 Ų57.90%032%0.319CS..Hα-helixtrans-59.7-43.9176.900000111.9E23 V27 E146 T147 K153 L154E23-A150 HydrophobicContact CB-CB 3.67Å; E23-A150 HydrophobicContact CG-CB 3.86Å; V27-A150 HydrophobicContact CG2-CB 3.73Å; E146-A150 PolarHBondContact O-N 2.98Å; T147-A150 WeakPolarHBondContact O-CB 3.28Å; T147-A150 PolarHBondContact O-N 3.29Å; A150-K153 PolarHBondContact O-N 3.25Å; A150-L154 PolarHBondContact O-N 3.21Å
151W94.6Very high91.8Very high5 Ų557 Ų572%0.01930%0.302CS..Hα-helixtrans-66.5-36.8175-85.291.9000113.1V27 T30 W31 L34 I131 L132 V135 F143 T147 Q148 R149 L154 R155V27-W151 HydrophobicContact CG2-CG 4.44Å; T30-W151 PolarHBondContact OG1-NE1 2.91Å; W31-W151 AromaticContact CE3-CH2 3.77Å; W31-W151 HydrophobicContact CE3-CH2 3.77Å; W31-W151 HydrophobicContact CZ3-CH2 4.38Å; L34-W151 HydrophobicContact CD1-CH2 4Å; L34-W151 HydrophobicContact CD1-CZ2 4.26Å; I131-W151 HydrophobicContact CG2-CZ3 4.13Å; L132-W151 HydrophobicContact CD1-CE3 4.29Å; L132-W151 HydrophobicContact CD2-CB 4.06Å; L132-W151 HydrophobicContact CG-CB 4.18Å; V135-W151 HydrophobicContact CB-CH2 4.48Å; V135-W151 HydrophobicContact CG1-CD2 4.16Å; V135-W151 HydrophobicContact CG1-CH2 4.17Å; V135-W151 HydrophobicContact CG1-CZ2 3.74Å; V135-W151 HydrophobicContact CG2-CE3 4.2Å; V135-W151 HydrophobicContact CG2-CH2 3.48Å; V135-W151 VanDerWaalsContact CG2-CH2 3.48Å; V135-W151 HydrophobicContact CG2-CZ2 3.95Å; V135-W151 HydrophobicContact CG2-CZ3 3.66Å; F143-W151 AromaticContact CE2-CD1 3.47Å; F143-W151 VanDerWaalsContact CE2-CD1 3.47Å; F143-W151 HydrophobicContact CE2-CG 4.12Å; F143-W151 AromaticContact CE2-NE1 3.76Å; F143-W151 HydrophobicContact CZ-CB 4.16Å; F143-W151 AromaticContact CZ-CD1 3.71Å; F143-W151 AromaticContact CZ-CG 3.94Å; F143-W151 HydrophobicContact CZ-CG 3.94Å; T147-W151 VanDerWaalsContact O-CD1 3.29Å; T147-W151 PolarHBondContact O-N 3.11Å; Q148-W151 PolarHBondContact O-N 3.42Å; R149-W151 VanDerWaalsContact C-N 3.34Å; R149-W151 PolarHBondContact O-N 3.04Å; W151-L154 HydrophobicContact CE3-CD2 4.17Å; W151-L154 HydrophobicContact CZ3-CD2 4.25Å; W151-L154 PolarHBondContact O-N 3.03Å; W151-R155 PolarHBondContact O-N 3.17Å
152A92.9Very high92.4Very high52 Ų5248.7 Ų48.743%0.4326%0.258SS..Hα-helixtrans-63.3-40.6173.900000112Q148 R149 R155 G156Q148-A152 WeakPolarHBondContact O-CB 3.38Å; Q148-A152 PolarHBondContact O-N 3.06Å; R149-A152 WeakPolarHBondContact O-CB 3.27Å; R149-A152 PolarHBondContact O-N 3.07Å; A152-R155 WeakPolarHBondContact O-CB 3.31Å; A152-R155 PolarHBondContact O-N 3.07Å; A152-G156 PolarHBondContact O-N 3.31Å
153K94.4Very high93Very high23 Ų2345.4 Ų45.410%0.124%0.241CC..Hα-helixtrans-63.2-45.3172.4-70.7-175.8177.1-175.70111.8R13 S16 E18 L19 E23 R149 A150 R155 G156 L157R13-K153 PolarHBondContact O-NZ 3.11Å; S16-K153 WeakPolarHBondContact O-CE 3.36Å; S16-K153 PolarHBondContact O-NZ 3.34Å; E18-K153 PolarHBondContact O-NZ 2.86Å; L19-K153 HydrophobicContact CD1-CB 4.21Å; L19-K153 HydrophobicContact CG-CB 4.01Å; E23-K153 VanDerWaalsContact CD-NZ 3.32Å; E23-K153 WeakPolarHBondContact OE1-CD 3.45Å; E23-K153 WeakPolarHBondContact OE1-CE 3.32Å; E23-K153 IonicContact OE1-NZ 3.66Å; E23-K153 PolarHBondContact OE1-NZ 2.89Å; E23-K153 IonicContact OE2-NZ 3.59Å; E23-K153 PolarHBondContact OE2-NZ 3.34Å; R149-K153 PolarHBondContact O-N 3.19Å; A150-K153 PolarHBondContact O-N 3.25Å; K153-R155 VanDerWaalsContact C-N 3.31Å; K153-R155 PolarHBondContact O-N 3.05Å; K153-G156 PolarHBondContact O-N 3.09Å; K153-G156 VanDerWaalsContact O-N 3.11Å; K153-L157 WeakPolarHBondContact O-CB 3.28Å; K153-L157 PolarHBondContact O-N 3.21Å
154L95.1Very high93.5Very high5 Ų546.3 Ų46.33%0.02625%0.253CS..Hα-helixtrans-57.8-43.8175.4178.564.7000111.7L19 V27 V92 V93 L96 A150 W151 G156 L157 I158L19-L154 HydrophobicContact CD2-CB 4.45Å; V27-L154 HydrophobicContact CG1-CD2 3.72Å; V92-L154 HydrophobicContact CG1-CD1 4.46Å; V93-L154 HydrophobicContact CG2-CD2 4.11Å; L96-L154 HydrophobicContact CD1-CD1 4.42Å; L96-L154 HydrophobicContact CD2-CD1 3.88Å; A150-L154 PolarHBondContact O-N 3.21Å; W151-L154 HydrophobicContact CE3-CD2 4.17Å; W151-L154 HydrophobicContact CZ3-CD2 4.25Å; W151-L154 PolarHBondContact O-N 3.03Å; L154-G156 VanDerWaalsContact C-N 3.33Å; L154-G156 PolarHBondContact O-N 3.4Å; L154-L157 PolarHBondContact O-N 3.2Å; L154-I158 HydrophobicContact CD1-CD1 4.03Å; L154-I158 HydrophobicContact CD1-CG1 4.24Å; L154-I158 HydrophobicContact CD2-CD1 4.42Å; L154-I158 HydrophobicContact CG-CD1 3.87Å; L154-I158 HydrophobicContact CG-CG1 4.47Å; L154-I158 WeakPolarHBondContact O-CG1 3.36Å; L154-I158 PolarHBondContact O-N 2.9Å
155R93.9Very high93.9Very high82 Ų8243.9 Ų43.931%0.30924%0.237SC..Hα-helixtrans-57.5-46.6174.2169.4175-167.7-167.45.4111.7K125 S128 L132 W151 A152 K153 I158 Y159K125-R155 PolarHBondContact O-NH2 3.3Å; S128-R155 PolarHBondContact OG-NE 3.18Å; L132-R155 HydrophobicContact CD1-CB 3.87Å; L132-R155 HydrophobicContact CD1-CG 4.49Å; W151-R155 PolarHBondContact O-N 3.17Å; A152-R155 WeakPolarHBondContact O-CB 3.31Å; A152-R155 PolarHBondContact O-N 3.07Å; K153-R155 VanDerWaalsContact C-N 3.31Å; K153-R155 PolarHBondContact O-N 3.05Å; R155-I158 PolarHBondContact O-N 2.89Å; R155-Y159 WeakPolarHBondContact O-CB 3.49Å; R155-Y159 PolarHBondContact O-N 2.96Å
156G93Very high94.2Very high38 Ų3840 Ų4039%0.39221%0.212SC..Hα-helixtrans-58-48.7176.500000111.9A152 K153 L154 Y159 S160A152-G156 PolarHBondContact O-N 3.31Å; K153-G156 PolarHBondContact O-N 3.09Å; K153-G156 VanDerWaalsContact O-N 3.11Å; L154-G156 VanDerWaalsContact C-N 3.33Å; L154-G156 PolarHBondContact O-N 3.4Å; G156-Y159 PolarHBondContact O-N 2.87Å; G156-S160 WeakPolarHBondContact O-CB 3.25Å; G156-S160 PolarHBondContact O-N 3.49Å; G156-S160 PolarHBondContact O-OG 3.13Å
157L94.7Very high94.5Very high32 Ų3240.5 Ų40.517%0.16821%0.212CC..Hα-helixtrans-57.5-51177.3-175.1157.4000111.8L19 V102 L106 K153 L154 Y159 S160 H161L19-L157 HydrophobicContact CD1-CD1 3.9Å; V102-L157 HydrophobicContact CG1-CD2 3.67Å; L106-L157 HydrophobicContact CD1-CD2 3.74Å; K153-L157 WeakPolarHBondContact O-CB 3.28Å; K153-L157 PolarHBondContact O-N 3.21Å; L154-L157 PolarHBondContact O-N 3.2Å; L157-Y159 VanDerWaalsContact C-N 3.33Å; L157-Y159 PolarHBondContact O-N 2.68Å; L157-S160 PolarHBondContact O-N 3.49Å; L157-S160 PolarHBondContact O-OG 2.99Å; L157-H161 PolarHBondContact O-CD2 3.29Å; L157-H161 VanDerWaalsContact O-CD2 3.27Å; L157-H161 PolarHBondContact O-N 2.97Å; L157-H161 VanDerWaalsContact O-N 3.09Å
158I95.1Very high94.8Very high24 Ų2445.7 Ų45.712%0.12324%0.235CC..Hα-helixtrans-59.7-47.2-179.6-69.2166.3000110.4L89 L106 L154 R155 V162L89-I158 HydrophobicContact CD2-CD1 3.74Å; L106-I158 HydrophobicContact CD1-CG1 4.48Å; L106-I158 HydrophobicContact CD2-CG1 4.4Å; L106-I158 HydrophobicContact CD2-CG2 4.14Å; L154-I158 HydrophobicContact CD1-CD1 4.03Å; L154-I158 HydrophobicContact CD1-CG1 4.24Å; L154-I158 HydrophobicContact CD2-CD1 4.42Å; L154-I158 HydrophobicContact CG-CD1 3.87Å; L154-I158 HydrophobicContact CG-CG1 4.47Å; L154-I158 WeakPolarHBondContact O-CG1 3.36Å; L154-I158 PolarHBondContact O-N 2.9Å; R155-I158 PolarHBondContact O-N 2.89Å; I158-V162 HydrophobicContact CG2-CG2 4.49Å; I158-V162 WeakPolarHBondContact O-CB 3.19Å; I158-V162 VanDerWaalsContact O-CG2 3.3Å; I158-V162 WeakPolarHBondContact O-CG2 3.38Å; I158-V162 PolarHBondContact O-N 2.97Å
159Y94.4Very high95.1Very high63 Ų6343.2 Ų43.225%0.24723%0.226CC..Hα-helixtrans-66.8-39.5-177.9-174.5-113000112.4F124 K125 R155 G156 L157 T163F124-Y159 HydrophobicContact CB-CD2 4.26Å; K125-Y159 HydrophobicContact CB-CD2 3.96Å; K125-Y159 HydrophobicContact CB-CE2 3.59Å; K125-Y159 HydrophobicContact CG-CE2 4.44Å; R155-Y159 WeakPolarHBondContact O-CB 3.49Å; R155-Y159 PolarHBondContact O-N 2.96Å; G156-Y159 PolarHBondContact O-N 2.87Å; L157-Y159 VanDerWaalsContact C-N 3.33Å; L157-Y159 PolarHBondContact O-N 2.68Å; Y159-T163 HydrophobicContact CD1-CG2 4.39Å; Y159-T163 HydrophobicContact CD2-CG2 4Å; Y159-T163 HydrophobicContact CE1-CG2 4Å; Y159-T163 HydrophobicContact CE2-CG2 3.55Å; Y159-T163 HydrophobicContact CG-CG2 4.4Å; Y159-T163 WeakPolarHBondContact O-CB 3.43Å; Y159-T163 VanDerWaalsContact O-CG2 3.32Å; Y159-T163 WeakPolarHBondContact O-CG2 3.48Å; Y159-T163 PolarHBondContact O-N 3.42Å; Y159-T163 PolarHBondContact O-OG1 3.08Å
160S94.4Very high95.3Very high53 Ų5340.7 Ų40.737%0.37123%0.234SC..Hα-helixtrans-64.8-47.4178.768.10000111.6G156 L157 T163 A164G156-S160 WeakPolarHBondContact O-CB 3.25Å; G156-S160 PolarHBondContact O-N 3.49Å; G156-S160 PolarHBondContact O-OG 3.13Å; L157-S160 PolarHBondContact O-N 3.49Å; L157-S160 PolarHBondContact O-OG 2.99Å; S160-T163 PolarHBondContact O-N 2.97Å; S160-T163 PolarHBondContact O-OG1 2.8Å; S160-T163 VanDerWaalsContact O-OG1 3.09Å; S160-A164 WeakPolarHBondContact O-CB 3.18Å; S160-A164 PolarHBondContact O-N 3.04Å
161H96.2Very high95.3Very high53 Ų5343.2 Ų43.225%0.24524%0.244CC..Hα-helixtrans-64.9-43178.1-83.3-87.7000112.6L106 L157 A164 A165L106-H161 HydrophobicContact CB-CB 3.64Å; L106-H161 HydrophobicContact CD1-CB 3.62Å; L106-H161 HydrophobicContact CG-CB 4.26Å; L157-H161 PolarHBondContact O-CD2 3.29Å; L157-H161 VanDerWaalsContact O-CD2 3.27Å; L157-H161 PolarHBondContact O-N 2.97Å; L157-H161 VanDerWaalsContact O-N 3.09Å; H161-A164 PolarHBondContact O-N 3.48Å; H161-A165 WeakPolarHBondContact O-CB 3.37Å; H161-A165 PolarHBondContact O-N 3.22Å
162V96.5Very high94.9Very high1 Ų148.5 Ų48.51%0.00628%0.276CS..Hα-helixtrans-63.9-46.6177.7170.20000110.4L106 F124 I158 A164 A165 Y166L106-V162 HydrophobicContact CD2-CG2 4.33Å; F124-V162 HydrophobicContact CB-CG1 4.5Å; F124-V162 HydrophobicContact CD1-CB 4.42Å; F124-V162 HydrophobicContact CD1-CG1 3.85Å; F124-V162 HydrophobicContact CD1-CG2 4.12Å; F124-V162 HydrophobicContact CD2-CG1 3.89Å; F124-V162 HydrophobicContact CE1-CG1 3.93Å; F124-V162 HydrophobicContact CE1-CG2 4.1Å; F124-V162 HydrophobicContact CE2-CG1 3.97Å; F124-V162 HydrophobicContact CG-CG1 3.83Å; F124-V162 HydrophobicContact CZ-CG1 3.97Å; I158-V162 HydrophobicContact CG2-CG2 4.49Å; I158-V162 WeakPolarHBondContact O-CB 3.19Å; I158-V162 VanDerWaalsContact O-CG2 3.3Å; I158-V162 WeakPolarHBondContact O-CG2 3.38Å; I158-V162 PolarHBondContact O-N 2.97Å; V162-A164 VanDerWaalsContact C-N 3.32Å; V162-A164 PolarHBondContact O-N 3.22Å; V162-A165 WeakPolarHBondContact O-CB 3.33Å; V162-A165 PolarHBondContact O-N 3.5Å; V162-Y166 HydrophobicContact CG1-CD2 3.86Å; V162-Y166 HydrophobicContact CG1-CE2 3.74Å; V162-Y166 VanDerWaalsContact O-CD2 3.24Å; V162-Y166 WeakPolarHBondContact O-CD2 3.25Å; V162-Y166 PolarHBondContact O-N 2.95Å
163T95.1Very high93.7Very high16 Ų1649.7 Ų49.710%0.09827%0.273CS..Hα-helixtrans-67.7-32.1179.853.70000112.9P121 Y159 S160 Y166 K167P121-T163 HydrophobicContact CB-CG2 4.43Å; Y159-T163 HydrophobicContact CD1-CG2 4.39Å; Y159-T163 HydrophobicContact CD2-CG2 4Å; Y159-T163 HydrophobicContact CE1-CG2 4Å; Y159-T163 HydrophobicContact CE2-CG2 3.55Å; Y159-T163 HydrophobicContact CG-CG2 4.4Å; Y159-T163 WeakPolarHBondContact O-CB 3.43Å; Y159-T163 VanDerWaalsContact O-CG2 3.32Å; Y159-T163 WeakPolarHBondContact O-CG2 3.48Å; Y159-T163 PolarHBondContact O-N 3.42Å; Y159-T163 PolarHBondContact O-OG1 3.08Å; S160-T163 PolarHBondContact O-N 2.97Å; S160-T163 PolarHBondContact O-OG1 2.8Å; S160-T163 VanDerWaalsContact O-OG1 3.09Å; T163-Y166 WeakPolarHBondContact O-CB 3.29Å; T163-Y166 PolarHBondContact O-N 2.9Å; T163-K167 WeakPolarHBondContact O-CG 3.28Å; T163-K167 PolarHBondContact O-N 3.45Å
164A96Very high92.3Very high41 Ų4154.6 Ų54.634%0.33930%0.296SS..Hα-helixtrans-60.7-48169.300000111.1S160 H161 V162 Y166 K167 E168S160-A164 WeakPolarHBondContact O-CB 3.18Å; S160-A164 PolarHBondContact O-N 3.04Å; H161-A164 PolarHBondContact O-N 3.48Å; V162-A164 VanDerWaalsContact C-N 3.32Å; V162-A164 PolarHBondContact O-N 3.22Å; A164-Y166 VanDerWaalsContact C-N 3.27Å; A164-Y166 PolarHBondContact O-N 3.27Å; A164-K167 WeakPolarHBondContact O-CB 3.12Å; A164-K167 PolarHBondContact O-N 3.48Å; A164-E168 WeakPolarHBondContact O-CG 3.4Å; A164-E168 PolarHBondContact O-N 3.11Å
165A97.6Very high90.6Very high1 Ų161.1 Ų61.11%0.00834%0.336CS..Hα-helixtrans-60.9-34.8177.300000113.2A107 K111 H161 V162 V169A107-A165 HydrophobicContact CB-CB 4.48Å; K111-A165 HydrophobicContact CG-CB 4.24Å; H161-A165 WeakPolarHBondContact O-CB 3.37Å; H161-A165 PolarHBondContact O-N 3.22Å; V162-A165 WeakPolarHBondContact O-CB 3.33Å; V162-A165 PolarHBondContact O-N 3.5Å; A165-V169 WeakPolarHBondContact O-CG2 3.26Å; A165-V169 PolarHBondContact O-N 3Å
166Y97.6Very high89.1Confident2 Ų261.6 Ų61.61%0.00835%0.349CS..Hα-helixtrans-64.6-45.6171.8-92.1-110.2000112.1G110 H113 A114 V119 P121 F124 V162 T163 A164 V169 G170 W171G110-Y166 VanDerWaalsContact O-CE2 3.28Å; G110-Y166 WeakPolarHBondContact O-CE2 3.25Å; H113-Y166 HydrophobicContact CB-CE2 4.24Å; H113-Y166 VanDerWaalsContact CB-OH 3.31Å; H113-Y166 WeakPolarHBondContact CB-OH 3.48Å; A114-Y166 HydrophobicContact CB-CD1 3.58Å; A114-Y166 HydrophobicContact CB-CD2 3.93Å; A114-Y166 HydrophobicContact CB-CE1 3.58Å; A114-Y166 HydrophobicContact CB-CE2 3.93Å; A114-Y166 HydrophobicContact CB-CG 3.79Å; A114-Y166 PolarHBondContact N-OH 2.95Å; V119-Y166 WeakPolarHBondContact O-CE1 3.45Å; V119-Y166 PolarHBondContact O-OH 2.81Å; P121-Y166 HydrophobicContact CB-CD1 4.46Å; P121-Y166 HydrophobicContact CB-CE1 4.45Å; P121-Y166 HydrophobicContact CG-CD1 3.56Å; P121-Y166 HydrophobicContact CG-CE1 3.66Å; P121-Y166 HydrophobicContact CG-CG 4.24Å; F124-Y166 HydrophobicContact CE2-CE2 4.04Å; F124-Y166 WeakPolarHBondContact CE2-OH 3.38Å; V162-Y166 HydrophobicContact CG1-CD2 3.86Å; V162-Y166 HydrophobicContact CG1-CE2 3.74Å; V162-Y166 VanDerWaalsContact O-CD2 3.24Å; V162-Y166 WeakPolarHBondContact O-CD2 3.25Å; V162-Y166 PolarHBondContact O-N 2.95Å; T163-Y166 WeakPolarHBondContact O-CB 3.29Å; T163-Y166 PolarHBondContact O-N 2.9Å; A164-Y166 VanDerWaalsContact C-N 3.27Å; A164-Y166 PolarHBondContact O-N 3.27Å; Y166-V169 VanDerWaalsContact O-CG2 3.25Å; Y166-V169 WeakPolarHBondContact O-CG2 3.16Å; Y166-V169 PolarHBondContact O-N 3.17Å; Y166-G170 PolarHBondContact O-N 3.04Å; Y166-W171 HydrophobicContact CD1-CB 3.85Å; Y166-W171 AromaticContact CD1-CD2 3.59Å; Y166-W171 HydrophobicContact CD1-CD2 3.59Å; Y166-W171 AromaticContact CD1-CE3 3.91Å; Y166-W171 HydrophobicContact CD1-CE3 3.91Å; Y166-W171 AromaticContact CD1-CG 3.56Å; Y166-W171 HydrophobicContact CD1-CG 3.56Å; Y166-W171 AromaticContact CE1-CD2 3.88Å; Y166-W171 HydrophobicContact CE1-CD2 3.88Å; Y166-W171 AromaticContact CE1-CE3 3.91Å; Y166-W171 HydrophobicContact CE1-CE3 3.91Å; Y166-W171 HydrophobicContact CE1-CG 4.33Å; Y166-W171 HydrophobicContact CE1-CZ3 4.27Å; Y166-W171 HydrophobicContact CG-CB 4.42Å; Y166-W171 WeakPolarHBondContact O-CB 3.48Å; Y166-W171 PolarHBondContact O-N 3.42Å
167K96.1Very high87.5Confident138 Ų13862.9 Ų62.960%0.635%0.347SS*.Hα-helixtrans-62.4-41.7176.8-70.9172-177.8178.80111.7T163 A164 V169 G170T163-K167 WeakPolarHBondContact O-CG 3.28Å; T163-K167 PolarHBondContact O-N 3.45Å; A164-K167 WeakPolarHBondContact O-CB 3.12Å; A164-K167 PolarHBondContact O-N 3.48Å; K167-V169 PolarHBondContact O-N 3Å; K167-G170 PolarHBondContact O-N 3.39Å
168E96.8Very high85.7Confident126 Ų12664.3 Ų64.359%0.58936%0.364SS*.Hα-helixtrans-57.3-32.8177.6-76.3176.6-160.600113.2K111 A164 G170K111-E168 WeakPolarHBondContact CE-OE2 3.25Å; K111-E168 IonicContact NZ-OE2 2.72Å; K111-E168 PolarHBondContact NZ-OE2 2.7Å; A164-E168 WeakPolarHBondContact O-CG 3.4Å; A164-E168 PolarHBondContact O-N 3.11Å; E168-G170 VanDerWaalsContact C-N 3.32Å
169V97.3Very high84Confident43 Ų4367 Ų6726%0.26138%0.382SS..THydrogen-bonded Turntrans-94.814.6178.8-58.40000113.3K111 A114 L115 A165 Y166 K167K111-V169 HydrophobicContact CB-CG1 4.36Å; K111-V169 HydrophobicContact CD-CG1 4.07Å; K111-V169 HydrophobicContact CG-CG1 3.7Å; A114-V169 HydrophobicContact CB-CG2 3.7Å; L115-V169 HydrophobicContact CD1-CB 4.12Å; L115-V169 HydrophobicContact CD1-CG1 3.87Å; L115-V169 HydrophobicContact CD2-CB 3.94Å; L115-V169 HydrophobicContact CD2-CG2 4.04Å; L115-V169 HydrophobicContact CG-CB 4.04Å; L115-V169 HydrophobicContact CG-CG1 4.23Å; L115-V169 HydrophobicContact CG-CG2 4.05Å; A165-V169 WeakPolarHBondContact O-CG2 3.26Å; A165-V169 PolarHBondContact O-N 3Å; Y166-V169 VanDerWaalsContact O-CG2 3.25Å; Y166-V169 WeakPolarHBondContact O-CG2 3.16Å; Y166-V169 PolarHBondContact O-N 3.17Å; K167-V169 PolarHBondContact O-N 3Å
170G95.3Very high82.3Confident56 Ų5667.6 Ų67.658%0.57739%0.392SS*.THydrogen-bonded Turntrans80.118.1174.400000114.8Y166 K167 E168 V172Y166-G170 PolarHBondContact O-N 3.04Å; K167-G170 PolarHBondContact O-N 3.39Å; E168-G170 VanDerWaalsContact C-N 3.32Å; G170-V172 PolarHBondContact O-N 3.35Å
171W94.6Very high80.6Confident54 Ų5470.1 Ų70.121%0.20541%0.407CS..  trans-70.7113.1173.1-168-73.9000110.4A114 Y166 Q173A114-W171 HydrophobicContact CB-CE3 4.19Å; A114-W171 WeakPolarHBondContact O-CZ3 3.49Å; Y166-W171 HydrophobicContact CD1-CB 3.85Å; Y166-W171 AromaticContact CD1-CD2 3.59Å; Y166-W171 HydrophobicContact CD1-CD2 3.59Å; Y166-W171 AromaticContact CD1-CE3 3.91Å; Y166-W171 HydrophobicContact CD1-CE3 3.91Å; Y166-W171 AromaticContact CD1-CG 3.56Å; Y166-W171 HydrophobicContact CD1-CG 3.56Å; Y166-W171 AromaticContact CE1-CD2 3.88Å; Y166-W171 HydrophobicContact CE1-CD2 3.88Å; Y166-W171 AromaticContact CE1-CE3 3.91Å; Y166-W171 HydrophobicContact CE1-CE3 3.91Å; Y166-W171 HydrophobicContact CE1-CG 4.33Å; Y166-W171 HydrophobicContact CE1-CZ3 4.27Å; Y166-W171 HydrophobicContact CG-CB 4.42Å; Y166-W171 WeakPolarHBondContact O-CB 3.48Å; Y166-W171 PolarHBondContact O-N 3.42Å; W171-Q173 PolarHBondContact O-N 2.83Å
172V86.1Confident79Confident115 Ų11573.3 Ų73.370%0.69743%0.433SS*.  trans-89.1108.3176.5-176.70000108.9G170 Q174G170-V172 PolarHBondContact O-N 3.35Å; V172-Q174 PolarHBondContact O-N 3.27Å
173Q68.6Low77.6Confident78 Ų7878 Ų7836%0.36447%0.471SS..  trans-68.1114.8168.9-85.5176.6-24.600109.1P121 W171P121-Q173 HydrophobicContact CG-CG 4.26Å; W171-Q173 PolarHBondContact O-N 2.83Å
174Q63.6Low76.2Confident126 Ų12683.7 Ų83.759%0.58951%0.506SS*.  trans-79.3141.4173.2-61.8-168.9100110V172 P176 N177V172-Q174 PolarHBondContact O-N 3.27Å; Q174-P176 CarbonylContact C-O 3.58Å; Q174-P176 VanDerWaalsContact C-O 3.31Å; Q174-P176 CarbonylContact O-C 3.57Å; Q174-P176 VanDerWaalsContact O-C 3.23Å; Q174-N177 VanDerWaalsContact O-CA 3.25Å; Q174-N177 WeakPolarHBondContact O-CA 3.44Å; Q174-N177 PolarHBondContact O-N 3.2Å; Q174-N177 PolarHBondContact O-OD1 2.83Å
175V59.4Low74.6Confident141 Ų14189.5 Ų89.586%0.85553%0.531SS*.SBendtrans-120.1115.8170.4-177.50000107.4
176P63.4Low72.7Confident92 Ų9294.9 Ų94.960%0.59757%0.565SS**SBendcis-68.31540.99.80.5000112.4Q174 T180Q174-P176 CarbonylContact C-O 3.58Å; Q174-P176 VanDerWaalsContact C-O 3.31Å; Q174-P176 CarbonylContact O-C 3.57Å; Q174-P176 VanDerWaalsContact O-C 3.23Å; P176-T180 HydrophobicContact CB-CG2 4.1Å
177N58.6Low70.5Confident65 Ų65100.1 Ų100.135%0.34860%0.602SS.*  trans-49.1143.1-179.9-82.9-7.2000110.4Q174 T179 T180Q174-N177 VanDerWaalsContact O-CA 3.25Å; Q174-N177 WeakPolarHBondContact O-CA 3.44Å; Q174-N177 PolarHBondContact O-N 3.2Å; Q174-N177 PolarHBondContact O-OD1 2.83Å; N177-T179 PolarHBondContact O-N 3.25Å; N177-T180 VanDerWaalsContact O-CB 3.32Å; N177-T180 WeakPolarHBondContact O-CB 3.46Å; N177-T180 PolarHBondContact O-N 2.82Å; N177-T180 PolarHBondContact O-OG1 2.79Å
178A57.3Low68.6Low62 Ų6299.3 Ų99.351%0.51261%0.614SS.*THydrogen-bonded Turntrans-54.6-15.6-175.100000115
179T58.7Low66.6Low82 Ų8295.7 Ų95.750%0.50361%0.611SS.*THydrogen-bonded Turntrans-85.7-6.1175.8-6.40000114N177 P181N177-T179 PolarHBondContact O-N 3.25Å; T179-P181 WeakPolarHBondContact O-CD 3.32Å
180T58.5Low64.5Low75 Ų75103.5 Ų103.546%0.4666%0.662SS.*SBendtrans-82.3119.1179.2-42.50000108.5P176 N177P176-T180 HydrophobicContact CB-CG2 4.1Å; N177-T180 VanDerWaalsContact O-CB 3.32Å; N177-T180 WeakPolarHBondContact O-CB 3.46Å; N177-T180 PolarHBondContact O-N 2.82Å; N177-T180 PolarHBondContact O-OG1 2.79Å
181P59.1Low63Low105 Ų105105.9 Ų105.968%0.68267%0.667SS**PPolyproline II helixtrans-60.6143.5175.221.4-28.4000110.2T179 A183T179-P181 WeakPolarHBondContact O-CD 3.32Å; P181-A183 PolarHBondContact O-N 3.18Å
182P62Low61.3Low121 Ų121108.6 Ų108.679%0.78669%0.691SS**PPolyproline II helixtrans-59.1138.3178.722.6-30.9000110.1T184P182-T184 PolarHBondContact O-N 3.45Å
183A67Low59.9Low99 Ų99108.3 Ų108.382%0.81869%0.691SS**PPolyproline II helixtrans-57.2123.5176.900000109.4P181 L185P181-A183 PolarHBondContact O-N 3.18Å; A183-L185 PolarHBondContact O-N 3.2Å
184T67.5Low59.4Low136 Ų136110.1 Ų110.183%0.83471%0.71SS**PPolyproline II helixtrans-60.3120.1169.343.60000108.2P182P182-T184 PolarHBondContact O-N 3.45Å
185L62.4Low59.2Low162 Ų162109.1 Ų109.185%0.84872%0.717SS**  trans-44.6128.3177.7-74.2159.1000110.2A183 S187A183-L185 PolarHBondContact O-N 3.2Å; L185-S187 PolarHBondContact O-N 2.96Å
186P56.2Low59.2Low114 Ų114106.9 Ų106.974%0.7471%0.708SS**  trans-61.5125.2163.225.5-29.3000107.1S188P186-S188 PolarHBondContact O-N 3.19Å
187S52.5Low58.8Low112 Ų112108 Ų10878%0.78372%0.716SS**  trans-51.8110.4166.5164.10000107.5L185 G189L185-S187 PolarHBondContact O-N 2.96Å; S187-G189 PolarHBondContact O-N 2.88Å
188S55.5Low58.9Low122 Ų122111.3 Ų111.385%0.85375%0.745SS**  trans-65.290.7158.9-540000105.8P186P186-S188 PolarHBondContact O-N 3.19Å
189G55.5Low59Low50 Ų50115.4 Ų115.452%0.51576%0.764SS.*  trans-64.2158.2167.300000110.3S187S187-G189 PolarHBondContact O-N 2.88Å
190P53Low59Low207 Ų207118.5 Ų118.5100%1.34479%0.788SS**  trans-67.30-155.228.6-35.8000115.1

Retrieved 190 of 190 residues in 58.4 ms (Link to these results)

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