A0A077ZF77_TRITR Loading...

Cyclin N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF77, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.6Confident93.8Very high182 Ų18289.5 Ų89.590%0.89743%0.431SS*.  0132.90-168.8179.4-77.500109.3S3 M4 S5M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.98Å; M1-M4 PolarHBondContact O-N 3.41Å; M1-S5 PolarHBondContact O-N 2.87Å
2Y92.2Very high93.9Very high96 Ų9687.6 Ų87.638%0.37643%0.429SS..G310 helixtrans-58.8-37.8-172.8174.1-107000113.7M4 S5 H7 K8 T12 H160Y2-M4 PolarHBondContact O-N 3.12Å; Y2-M4 VanDerWaalsContact O-N 3.16Å; Y2-S5 WeakPolarHBondContact O-CB 3.49Å; Y2-S5 PolarHBondContact O-N 3.16Å; Y2-S5 PolarHBondContact O-OG 3.12Å; Y2-H7 HydrophobicContact CE2-CB 4.41Å; Y2-K8 HydrophobicContact CD1-CD 4.29Å; Y2-K8 HydrophobicContact CD2-CB 4.31Å; Y2-K8 HydrophobicContact CE1-CB 4.17Å; Y2-K8 HydrophobicContact CE1-CD 4.03Å; Y2-K8 HydrophobicContact CE1-CG 4.1Å; Y2-K8 HydrophobicContact CE2-CB 3.94Å; Y2-K8 VanDerWaalsContact O-CB 3.25Å; Y2-K8 WeakPolarHBondContact O-CB 3.34Å; Y2-T12 WeakPolarHBondContact OH-CG2 3.32Å; Y2-T12 PolarHBondContact OH-OG1 3.13Å; Y2-H160 HydrophobicContact CD2-CB 3.85Å; Y2-H160 AromaticContact CD2-CD2 3.82Å; Y2-H160 AromaticContact CD2-CG 3.98Å
3S93.6Very high94Very high61 Ų6185.9 Ų85.943%0.42742%0.418SS..G310 helixtrans-57.3-30.2-17753.40000114.9M1 K8M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.98Å; S3-K8 WeakPolarHBondContact O-CD 3.46Å
4M94.2Very high94Very high174 Ų17492.9 Ų92.986%0.85745%0.45SS*.G310 helixtrans-110.28179.4-60.8-179.670.200112.7M1 Y2M1-M4 PolarHBondContact O-N 3.41Å; Y2-M4 PolarHBondContact O-N 3.12Å; Y2-M4 VanDerWaalsContact O-N 3.16Å
5S95.3Very high94Very high13 Ų1391.7 Ų91.79%0.09145%0.446CS..SBendtrans-78.4153.9-173.470.30000112.6M1 Y2 H7 K8 K9 H160M1-S5 PolarHBondContact O-N 2.87Å; Y2-S5 WeakPolarHBondContact O-CB 3.49Å; Y2-S5 PolarHBondContact O-N 3.16Å; Y2-S5 PolarHBondContact O-OG 3.12Å; S5-H7 PolarHBondContact O-N 2.88Å; S5-H7 WeakPolarHBondContact OG-CB 3.27Å; S5-H7 PolarHBondContact OG-N 3.1Å; S5-K8 PolarHBondContact O-N 3.14Å; S5-K8 PolarHBondContact OG-N 2.91Å; S5-K9 PolarHBondContact O-N 2.88Å; S5-K9 VanDerWaalsContact O-N 3.07Å; S5-H160 VanDerWaalsContact CB-CD2 3.5Å; S5-H160 WeakPolarHBondContact CB-CD2 3.34Å; S5-H160 WeakPolarHBondContact CB-NE2 3.37Å; S5-H160 PolarHBondContact OG-CD2 2.9Å
6T95.5Very high94Very high59 Ų5992 Ų9236%0.36245%0.447SS..Hα-helixtrans-61.2-29.2167.253.10000111.7K9 F10 Q156T6-K9 PolarHBondContact O-N 3.17Å; T6-F10 HydrophobicContact CG2-CD2 4.38Å; T6-F10 HydrophobicContact CG2-CE2 4.28Å; T6-F10 WeakPolarHBondContact O-CB 3.44Å; T6-F10 WeakPolarHBondContact O-CD2 3.35Å; T6-F10 PolarHBondContact O-N 2.78Å; T6-Q156 HydrophobicContact CG2-CG 4.41Å
7H95.6Very high94Very high20 Ų2096.7 Ų96.79%0.09347%0.465CS..Hα-helixtrans-55.8-57.7172.2-167.1161.2000110.8Y2 S5 K9 W11 T12 R89 H160Y2-H7 HydrophobicContact CE2-CB 4.41Å; S5-H7 PolarHBondContact O-N 2.88Å; S5-H7 WeakPolarHBondContact OG-CB 3.27Å; S5-H7 PolarHBondContact OG-N 3.1Å; H7-K9 VanDerWaalsContact C-N 3.3Å; H7-K9 PolarHBondContact O-N 3.4Å; H7-W11 CarbonylContact O-C 3.02Å; H7-W11 WeakPolarHBondContact O-CA 3.32Å; H7-W11 WeakPolarHBondContact O-CB 3.46Å; H7-W11 PolarHBondContact O-N 3.12Å; H7-T12 PolarHBondContact O-N 3.35Å; H7-T12 PolarHBondContact O-OG1 3.41Å; H7-R89 PolarHBondContact CD2-NH2 3.49Å; H7-R89 PolarHBondContact CE1-NH2 3.04Å; H7-R89 VanDerWaalsContact CE1-NH2 3.34Å; H7-R89 PolarHBondContact ND1-NH2 3.32Å; H7-R89 PolarHBondContact NE2-NH2 3.22Å; H7-R89 VanDerWaalsContact NE2-NH2 3.14Å; H7-H160 PolarHBondContact ND1-N 3.27Å
8K95.6Very high94.1Very high101 Ų10196.1 Ų96.144%0.43946%0.459SS..Hα-helixtrans-62.1-39.9179.6-175.6180174.4-172.80111.9Y2 S3 S5Y2-K8 HydrophobicContact CD1-CD 4.29Å; Y2-K8 HydrophobicContact CD2-CB 4.31Å; Y2-K8 HydrophobicContact CE1-CB 4.17Å; Y2-K8 HydrophobicContact CE1-CD 4.03Å; Y2-K8 HydrophobicContact CE1-CG 4.1Å; Y2-K8 HydrophobicContact CE2-CB 3.94Å; Y2-K8 VanDerWaalsContact O-CB 3.25Å; Y2-K8 WeakPolarHBondContact O-CB 3.34Å; S3-K8 WeakPolarHBondContact O-CD 3.46Å; S5-K8 PolarHBondContact O-N 3.14Å; S5-K8 PolarHBondContact OG-N 2.91Å
9K95.5Very high94Very high161 Ų16192.6 Ų92.670%0.744%0.443SS*.Hα-helixtrans-71.1-35.3-175.1-173.2172.1177.8177.70113.9S5 T6 H7S5-K9 PolarHBondContact O-N 2.88Å; S5-K9 VanDerWaalsContact O-N 3.07Å; T6-K9 PolarHBondContact O-N 3.17Å; H7-K9 VanDerWaalsContact C-N 3.3Å; H7-K9 PolarHBondContact O-N 3.4Å
10F95.1Very high94Very high95 Ų9590.2 Ų90.242%0.41743%0.433SS..Hα-helixtrans-122.6-18.1-168.9-61.1-73.5000114.9T6 F13T6-F10 HydrophobicContact CG2-CD2 4.38Å; T6-F10 HydrophobicContact CG2-CE2 4.28Å; T6-F10 WeakPolarHBondContact O-CB 3.44Å; T6-F10 WeakPolarHBondContact O-CD2 3.35Å; T6-F10 PolarHBondContact O-N 2.78Å; F10-F13 WeakPolarHBondContact O-CZ 3.45Å
11W95.4Very high93.9Very high23 Ų2389.3 Ų89.39%0.08743%0.428CS..Hα-helixtrans-125.19.4-173.7-59.1107.8000114.2H7 F13 R89H7-W11 CarbonylContact O-C 3.02Å; H7-W11 WeakPolarHBondContact O-CA 3.32Å; H7-W11 WeakPolarHBondContact O-CB 3.46Å; H7-W11 PolarHBondContact O-N 3.12Å; W11-F13 HydrophobicContact CE3-CE2 4.44Å; W11-F13 HydrophobicContact CE3-CZ 4.29Å; W11-R89 VanDerWaalsContact CD1-CZ 3.41Å; W11-R89 HydrophobicContact CD2-CB 4.28Å; W11-R89 VanDerWaalsContact CD2-CD 3.5Å; W11-R89 HydrophobicContact CD2-CG 3.62Å; W11-R89 HydrophobicContact CE3-CB 3.86Å; W11-R89 HydrophobicContact CE3-CG 3.45Å; W11-R89 VanDerWaalsContact CE3-CG 3.45Å; W11-R89 HydrophobicContact CG-CG 4.19Å; W11-R89 VanDerWaalsContact CG-NE 3.26Å; W11-R89 HydrophobicContact CH2-CB 3.78Å; W11-R89 HydrophobicContact CH2-CG 4.22Å; W11-R89 HydrophobicContact CZ2-CB 4.23Å; W11-R89 HydrophobicContact CZ2-CG 4.39Å; W11-R89 HydrophobicContact CZ3-CB 3.58Å; W11-R89 HydrophobicContact CZ3-CG 3.76Å
12T95.2Very high94.4Very high66 Ų6682 Ų8241%0.40539%0.393SS..  trans-111.8118.8171.2-56.70000108Y2 H7Y2-T12 WeakPolarHBondContact OH-CG2 3.32Å; Y2-T12 PolarHBondContact OH-OG1 3.13Å; H7-T12 PolarHBondContact O-N 3.35Å; H7-T12 PolarHBondContact O-OG1 3.41Å
13F95Very high94.4Very high66 Ų6679.7 Ų79.729%0.28938%0.384SS..  trans-114.8150.9-172.6-55.2-88.9000110.2F10 W11 N15 K18 L19 L22 L92F10-F13 WeakPolarHBondContact O-CZ 3.45Å; W11-F13 HydrophobicContact CE3-CE2 4.44Å; W11-F13 HydrophobicContact CE3-CZ 4.29Å; F13-N15 VanDerWaalsContact C-N 3.31Å; F13-N15 PolarHBondContact O-N 3.44Å; F13-K18 HydrophobicContact CD1-CG 4.26Å; F13-L19 HydrophobicContact CB-CD2 4.13Å; F13-L19 HydrophobicContact CB-CG 4.38Å; F13-L19 HydrophobicContact CD1-CD2 4.4Å; F13-L19 HydrophobicContact CD2-CD2 3.24Å; F13-L19 HydrophobicContact CD2-CG 4.31Å; F13-L19 HydrophobicContact CE2-CD2 3.61Å; F13-L19 HydrophobicContact CG-CD2 3.66Å; F13-L19 HydrophobicContact CG-CG 4.42Å; F13-L19 HydrophobicContact CZ-CD2 4.35Å; F13-L22 HydrophobicContact CD1-CD1 4.09Å; F13-L22 HydrophobicContact CE1-CD1 3.48Å; F13-L22 VanDerWaalsContact CE1-CD1 3.48Å; F13-L22 HydrophobicContact CZ-CD1 3.94Å; F13-L92 HydrophobicContact CE2-CD1 4.24Å
14E93.6Very high94.2Very high183 Ų18383.5 Ų83.586%0.85539%0.389SS*.SBendtrans-62.3-36.7-175-62.9171.1-175.600113.1
15N95.1Very high94.1Very high75 Ų7579.9 Ų79.940%0.40137%0.37SS..  trans-161169.2-175.457.959.7000112.3F13 K17 K18F13-N15 VanDerWaalsContact C-N 3.31Å; F13-N15 PolarHBondContact O-N 3.44Å; N15-K17 VanDerWaalsContact C-N 3.28Å; N15-K17 PolarHBondContact O-N 3.06Å; N15-K17 WeakPolarHBondContact OD1-CA 3.36Å; N15-K17 WeakPolarHBondContact OD1-CB 3.36Å; N15-K17 PolarHBondContact OD1-N 2.81Å; N15-K18 PolarHBondContact O-N 2.89Å; N15-K18 PolarHBondContact OD1-N 3.4Å
16Q93.5Very high93.8Very high97 Ų9780 Ų8045%0.45337%0.372SS..Hα-helixtrans-62.3-32.2177.6-174.863.23300113.1K18 L19 D20Q16-K18 VanDerWaalsContact C-N 3.3Å; Q16-K18 PolarHBondContact O-N 2.8Å; Q16-L19 WeakPolarHBondContact O-CB 3.38Å; Q16-L19 PolarHBondContact O-N 3.04Å; Q16-L19 VanDerWaalsContact O-N 3.16Å; Q16-D20 PolarHBondContact NE2-OD1 3.13Å; Q16-D20 PolarHBondContact O-N 3.08Å
17K94.7Very high93.4Very high172 Ų17278.9 Ų78.975%0.74836%0.361SS*.Hα-helixtrans-61.8-39.3-179.4-66.2-177.5176.9179.20111.4N15 L19 D20 E21N15-K17 VanDerWaalsContact C-N 3.28Å; N15-K17 PolarHBondContact O-N 3.06Å; N15-K17 WeakPolarHBondContact OD1-CA 3.36Å; N15-K17 WeakPolarHBondContact OD1-CB 3.36Å; N15-K17 PolarHBondContact OD1-N 2.81Å; K17-L19 VanDerWaalsContact C-N 3.34Å; K17-L19 PolarHBondContact O-N 3.44Å; K17-D20 PolarHBondContact O-N 3.05Å; K17-E21 PolarHBondContact O-N 3.32Å
18K94.2Very high93Very high85 Ų8585.6 Ų85.637%0.3739%0.39SS..Hα-helixtrans-63.6-39.7176.7-17069.1-164.6165.50112.3F13 N15 Q16 E21 L22F13-K18 HydrophobicContact CD1-CG 4.26Å; N15-K18 PolarHBondContact O-N 2.89Å; N15-K18 PolarHBondContact OD1-N 3.4Å; Q16-K18 VanDerWaalsContact C-N 3.3Å; Q16-K18 PolarHBondContact O-N 2.8Å; K18-E21 IonicContact NZ-OE2 2.66Å; K18-E21 PolarHBondContact NZ-OE2 3.37Å; K18-E21 PolarHBondContact O-N 3.28Å; K18-L22 WeakPolarHBondContact O-CG 3.45Å; K18-L22 PolarHBondContact O-N 3.27Å
19L93.8Very high92.7Very high30 Ų3085.5 Ų85.516%0.15740%0.398CS..Hα-helixtrans-62.7-43.6175.5-63.6174000111.7F13 Q16 K17 E21 L22 R23 L92F13-L19 HydrophobicContact CB-CD2 4.13Å; F13-L19 HydrophobicContact CB-CG 4.38Å; F13-L19 HydrophobicContact CD1-CD2 4.4Å; F13-L19 HydrophobicContact CD2-CD2 3.24Å; F13-L19 HydrophobicContact CD2-CG 4.31Å; F13-L19 HydrophobicContact CE2-CD2 3.61Å; F13-L19 HydrophobicContact CG-CD2 3.66Å; F13-L19 HydrophobicContact CG-CG 4.42Å; F13-L19 HydrophobicContact CZ-CD2 4.35Å; Q16-L19 WeakPolarHBondContact O-CB 3.38Å; Q16-L19 PolarHBondContact O-N 3.04Å; Q16-L19 VanDerWaalsContact O-N 3.16Å; K17-L19 VanDerWaalsContact C-N 3.34Å; K17-L19 PolarHBondContact O-N 3.44Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-L22 PolarHBondContact O-N 3.33Å; L19-R23 WeakPolarHBondContact O-CG 3.48Å; L19-R23 PolarHBondContact O-N 3.08Å; L19-R23 VanDerWaalsContact O-N 3.16Å; L19-L92 HydrophobicContact CB-CD2 4.15Å; L19-L92 HydrophobicContact CD2-CD1 3.85Å; L19-L92 HydrophobicContact CD2-CD2 3.58Å; L19-L92 HydrophobicContact CD2-CG 4.3Å
20D92.3Very high92.2Very high45 Ų4579.4 Ų79.424%0.24137%0.371CS..Hα-helixtrans-69.6-31.2179.9-66.6-24.7000111.9Q16 K17 R23 R24 R54Q16-D20 PolarHBondContact NE2-OD1 3.13Å; Q16-D20 PolarHBondContact O-N 3.08Å; K17-D20 PolarHBondContact O-N 3.05Å; D20-R23 IonicContact OD1-NH1 2.8Å; D20-R23 PolarHBondContact OD1-NH1 3.27Å; D20-R24 WeakPolarHBondContact O-CB 3.49Å; D20-R24 PolarHBondContact O-N 3.31Å; D20-R54 IonicContact OD1-NH2 2.72Å
21E93.4Very high91.5Very high71 Ų7176.5 Ų76.533%0.33236%0.36SS..Hα-helixtrans-63.5-50.7170.7-178172.6-12300112.6K17 K18 L19 R23 R24 E25K17-E21 PolarHBondContact O-N 3.32Å; K18-E21 IonicContact NZ-OE2 2.66Å; K18-E21 PolarHBondContact NZ-OE2 3.37Å; K18-E21 PolarHBondContact O-N 3.28Å; L19-E21 VanDerWaalsContact C-N 3.3Å; E21-R23 VanDerWaalsContact C-N 3.28Å; E21-R23 PolarHBondContact O-N 3.17Å; E21-R24 WeakPolarHBondContact O-CB 3.37Å; E21-R24 PolarHBondContact O-N 3.3Å; E21-E25 HydrophobicContact CG-CG 4.48Å; E21-E25 WeakPolarHBondContact O-CG 3.39Å; E21-E25 PolarHBondContact O-N 3.15Å
22L93.2Very high91Very high30 Ų3083.5 Ų83.516%0.15739%0.391CS..Hα-helixtrans-56.2-43.3177.5-71.1170.6000112F13 K18 L19 R24 E25 A26 L92F13-L22 HydrophobicContact CD1-CD1 4.09Å; F13-L22 HydrophobicContact CE1-CD1 3.48Å; F13-L22 VanDerWaalsContact CE1-CD1 3.48Å; F13-L22 HydrophobicContact CZ-CD1 3.94Å; K18-L22 WeakPolarHBondContact O-CG 3.45Å; K18-L22 PolarHBondContact O-N 3.27Å; L19-L22 PolarHBondContact O-N 3.33Å; L22-R24 PolarHBondContact O-N 3.42Å; L22-E25 PolarHBondContact O-N 2.95Å; L22-A26 WeakPolarHBondContact O-CB 3.35Å; L22-A26 PolarHBondContact O-N 2.67Å; L22-L92 CarbonylContact C-O 3.51Å; L22-L92 HydrophobicContact CB-CD2 3.94Å; L22-L92 HydrophobicContact CD1-CD2 3.97Å
23R91.6Very high90.5Very high47 Ų4787.5 Ų87.518%0.17740%0.402CS..Hα-helixtrans-62.4-43175.8-69.5175.4-171.5122.26111.9L19 D20 E21 A26 R27 L92L19-R23 WeakPolarHBondContact O-CG 3.48Å; L19-R23 PolarHBondContact O-N 3.08Å; L19-R23 VanDerWaalsContact O-N 3.16Å; D20-R23 IonicContact OD1-NH1 2.8Å; D20-R23 PolarHBondContact OD1-NH1 3.27Å; E21-R23 VanDerWaalsContact C-N 3.28Å; E21-R23 PolarHBondContact O-N 3.17Å; R23-A26 PolarHBondContact O-N 3.09Å; R23-R27 WeakPolarHBondContact O-CB 3.34Å; R23-R27 PolarHBondContact O-N 3.38Å; R23-L92 HydrophobicContact CG-CD2 4.36Å
24R89.8Confident89.8Confident140 Ų14086.5 Ų86.553%0.52840%0.4SS..Hα-helixtrans-64.8-40.2178.6-161.9-170.6-43100.27.7111.5D20 E21 L22 R27 K28D20-R24 WeakPolarHBondContact O-CB 3.49Å; D20-R24 PolarHBondContact O-N 3.31Å; E21-R24 WeakPolarHBondContact O-CB 3.37Å; E21-R24 PolarHBondContact O-N 3.3Å; L22-R24 PolarHBondContact O-N 3.42Å; R24-R27 PolarHBondContact O-N 3.46Å; R24-K28 VanDerWaalsContact O-CB 3.32Å; R24-K28 WeakPolarHBondContact O-CB 3.45Å; R24-K28 PolarHBondContact O-N 3.12Å
25E92Very high88.9Confident99 Ų9981.1 Ų81.146%0.46338%0.376SS..Hα-helixtrans-65.5-44.2175-70.9-175.4150.800112.1E21 L22 R27 K28 T29E21-E25 HydrophobicContact CG-CG 4.48Å; E21-E25 WeakPolarHBondContact O-CG 3.39Å; E21-E25 PolarHBondContact O-N 3.15Å; L22-E25 PolarHBondContact O-N 2.95Å; E25-R27 VanDerWaalsContact C-N 3.32Å; E25-R27 PolarHBondContact O-N 3.1Å; E25-K28 PolarHBondContact O-N 2.96Å; E25-T29 WeakPolarHBondContact O-CB 3.41Å; E25-T29 PolarHBondContact O-N 3.47Å; E25-T29 PolarHBondContact O-OG1 3.34Å
26A89.5Confident87.9Confident16 Ų1681 Ų8113%0.13239%0.393CS..Hα-helixtrans-60-43.3175.200000111.5L22 R23 F30L22-A26 WeakPolarHBondContact O-CB 3.35Å; L22-A26 PolarHBondContact O-N 2.67Å; R23-A26 PolarHBondContact O-N 3.09Å; A26-F30 WeakPolarHBondContact O-CB 3.38Å; A26-F30 PolarHBondContact O-N 3.39Å
27R87.3Confident86.8Confident35 Ų3580.3 Ų80.313%0.13240%0.399CS..Hα-helixtrans-62.8-49.9174.2-179.5179.3171.887.1-0.8112.1R23 R24 E25 T29 F30 I31 L48 E53R23-R27 WeakPolarHBondContact O-CB 3.34Å; R23-R27 PolarHBondContact O-N 3.38Å; R24-R27 PolarHBondContact O-N 3.46Å; E25-R27 VanDerWaalsContact C-N 3.32Å; E25-R27 PolarHBondContact O-N 3.1Å; R27-T29 VanDerWaalsContact C-N 3.32Å; R27-T29 PolarHBondContact O-N 3.36Å; R27-F30 PolarHBondContact O-N 2.93Å; R27-F30 VanDerWaalsContact O-N 3.13Å; R27-I31 HydrophobicContact CG-CD1 3.77Å; R27-I31 HydrophobicContact CG-CG1 4.38Å; R27-I31 WeakPolarHBondContact O-CG1 3.34Å; R27-I31 PolarHBondContact O-N 3.45Å; R27-L48 PolarHBondContact NH1-O 3.29Å; R27-L48 PolarHBondContact NH2-O 2.87Å; R27-E53 IonicContact CZ-OE1 3.57Å; R27-E53 IonicContact NH1-OE1 3.04Å; R27-E53 PolarHBondContact NH1-OE1 3.4Å
28K87.5Confident85.2Confident161 Ų16175.8 Ų75.870%0.739%0.386SS*.Hα-helixtrans-59-45179.7-175.5178.8179.9-179.40111.2R24 E25 F30 I31 K32R24-K28 VanDerWaalsContact O-CB 3.32Å; R24-K28 WeakPolarHBondContact O-CB 3.45Å; R24-K28 PolarHBondContact O-N 3.12Å; E25-K28 PolarHBondContact O-N 2.96Å; K28-F30 VanDerWaalsContact C-N 3.31Å; K28-F30 PolarHBondContact O-N 2.92Å; K28-I31 PolarHBondContact O-N 3.39Å; K28-K32 WeakPolarHBondContact O-CB 3.48Å; K28-K32 PolarHBondContact O-N 2.91Å
29T88.4Confident83.3Confident99 Ų9980.4 Ų80.461%0.60741%0.409SS*.Hα-helixtrans-60.1-41.9176.6-57.50000111.5E25 R27 K33E25-T29 WeakPolarHBondContact O-CB 3.41Å; E25-T29 PolarHBondContact O-N 3.47Å; E25-T29 PolarHBondContact O-OG1 3.34Å; R27-T29 VanDerWaalsContact C-N 3.32Å; R27-T29 PolarHBondContact O-N 3.36Å; T29-K33 PolarHBondContact O-N 3.48Å; T29-K33 VanDerWaalsContact O-N 3.12Å
30F84.7Confident81.7Confident33 Ų3382 Ų8215%0.14542%0.419CS..Hα-helixtrans-66.7-48.4177.1-179.6-101.4000112.5A26 R27 K28 K32 K33 L34 L97 R98A26-F30 WeakPolarHBondContact O-CB 3.38Å; A26-F30 PolarHBondContact O-N 3.39Å; R27-F30 PolarHBondContact O-N 2.93Å; R27-F30 VanDerWaalsContact O-N 3.13Å; K28-F30 VanDerWaalsContact C-N 3.31Å; K28-F30 PolarHBondContact O-N 2.92Å; F30-K32 VanDerWaalsContact C-N 3.32Å; F30-K32 PolarHBondContact O-N 3.36Å; F30-K33 WeakPolarHBondContact O-CB 3.44Å; F30-K33 PolarHBondContact O-N 2.83Å; F30-K33 VanDerWaalsContact O-N 3.1Å; F30-L34 HydrophobicContact CE1-CD2 4.4Å; F30-L34 HydrophobicContact CZ-CD1 4.24Å; F30-L34 PolarHBondContact O-N 3.28Å; F30-L97 HydrophobicContact CD1-CB 3.75Å; F30-L97 HydrophobicContact CD1-CD1 4.26Å; F30-L97 HydrophobicContact CE1-CB 3.3Å; F30-L97 HydrophobicContact CE1-CD1 4.35Å; F30-L97 HydrophobicContact CE1-CG 4.47Å; F30-L97 HydrophobicContact CZ-CB 4.06Å; F30-R98 HydrophobicContact CD2-CB 3.62Å; F30-R98 HydrophobicContact CD2-CG 4.03Å; F30-R98 VanDerWaalsContact CE2-CA 3.49Å; F30-R98 HydrophobicContact CE2-CB 3.41Å; F30-R98 VanDerWaalsContact CE2-CB 3.41Å; F30-R98 HydrophobicContact CE2-CG 3.71Å; F30-R98 HydrophobicContact CG-CB 4.43Å; F30-R98 HydrophobicContact CZ-CB 4.09Å
31I81.8Confident80Confident34 Ų3487.5 Ų87.517%0.17444%0.444CS..Hα-helixtrans-60-44.1178.6-68.2172.4000110.5R27 K28 K33 L34 I35 L47R27-I31 HydrophobicContact CG-CD1 3.77Å; R27-I31 HydrophobicContact CG-CG1 4.38Å; R27-I31 WeakPolarHBondContact O-CG1 3.34Å; R27-I31 PolarHBondContact O-N 3.45Å; K28-I31 PolarHBondContact O-N 3.39Å; I31-K33 VanDerWaalsContact C-N 3.27Å; I31-K33 PolarHBondContact O-N 3.07Å; I31-L34 PolarHBondContact O-N 3.06Å; I31-L34 VanDerWaalsContact O-N 3.16Å; I31-I35 HydrophobicContact CG2-CD1 3.56Å; I31-I35 HydrophobicContact CG2-CG1 4.19Å; I31-I35 WeakPolarHBondContact O-CB 3.42Å; I31-I35 WeakPolarHBondContact O-CG1 3.39Å; I31-I35 PolarHBondContact O-N 3.43Å; I31-L47 HydrophobicContact CD1-CD1 4.05Å; I31-L47 HydrophobicContact CG1-CD1 4Å; I31-L47 HydrophobicContact CG1-CD2 4.31Å; I31-L47 HydrophobicContact CG2-CD1 4.33Å
32K84.7Confident78.2Confident169 Ų16989 Ų8974%0.73546%0.462SS*.Hα-helixtrans-58.1-41.8176-174.3178179.9-178.80111.5K28 F30 G36K28-K32 WeakPolarHBondContact O-CB 3.48Å; K28-K32 PolarHBondContact O-N 2.91Å; F30-K32 VanDerWaalsContact C-N 3.32Å; F30-K32 PolarHBondContact O-N 3.36Å; K32-G36 PolarHBondContact O-N 3.35Å; K32-G36 VanDerWaalsContact O-N 3.12Å
33K84Confident76.5Confident150 Ų15088.9 Ų88.965%0.65247%0.465SS*.Hα-helixtrans-67.5-39.6177-170.2173.9-178.7173.60112.2T29 F30 I31 S37T29-K33 PolarHBondContact O-N 3.48Å; T29-K33 VanDerWaalsContact O-N 3.12Å; F30-K33 WeakPolarHBondContact O-CB 3.44Å; F30-K33 PolarHBondContact O-N 2.83Å; F30-K33 VanDerWaalsContact O-N 3.1Å; I31-K33 VanDerWaalsContact C-N 3.27Å; I31-K33 PolarHBondContact O-N 3.07Å; K33-S37 PolarHBondContact O-OG 3.38Å; K33-S37 VanDerWaalsContact O-OG 3.14Å
34L79.6Confident75Confident46 Ų4691.3 Ų91.324%0.24148%0.479CS..Hα-helixtrans-66.9-47.5179.6-167.377.7000111.7F30 I31 G36 S37 T38 A43 L47F30-L34 HydrophobicContact CE1-CD2 4.4Å; F30-L34 HydrophobicContact CZ-CD1 4.24Å; F30-L34 PolarHBondContact O-N 3.28Å; I31-L34 PolarHBondContact O-N 3.06Å; I31-L34 VanDerWaalsContact O-N 3.16Å; L34-G36 VanDerWaalsContact C-N 3.28Å; L34-G36 PolarHBondContact O-N 2.87Å; L34-S37 WeakPolarHBondContact CA-OG 3.13Å; L34-S37 PolarHBondContact O-N 3.04Å; L34-S37 PolarHBondContact O-OG 3.3Å; L34-T38 PolarHBondContact O-N 3.16Å; L34-T38 VanDerWaalsContact O-N 3.17Å; L34-A43 HydrophobicContact CD2-CB 4.28Å; L34-L47 HydrophobicContact CD2-CD2 3.93Å
35I75.3Confident73.5Confident69 Ų6993.7 Ų93.735%0.35449%0.493SS..Hα-helixtrans-61.7-38.5177.1-71.9173000111I31 S37 T40I31-I35 HydrophobicContact CG2-CD1 3.56Å; I31-I35 HydrophobicContact CG2-CG1 4.19Å; I31-I35 WeakPolarHBondContact O-CB 3.42Å; I31-I35 WeakPolarHBondContact O-CG1 3.39Å; I31-I35 PolarHBondContact O-N 3.43Å; I35-S37 PolarHBondContact O-N 3.05Å; I35-S37 VanDerWaalsContact O-N 3.12Å; I35-T40 HydrophobicContact CB-CG2 4.13Å; I35-T40 HydrophobicContact CG1-CG2 3.9Å; I35-T40 HydrophobicContact CG2-CG2 3.56Å
36G74Confident72.3Confident73 Ų7392.7 Ų92.775%0.75350%0.501SS*.THydrogen-bonded Turntrans-65.4-10.1174.800000114.3K32 L34K32-G36 PolarHBondContact O-N 3.35Å; K32-G36 VanDerWaalsContact O-N 3.12Å; L34-G36 VanDerWaalsContact C-N 3.28Å; L34-G36 PolarHBondContact O-N 2.87Å
37S71.1Confident71.7Confident83 Ų8393.3 Ų93.358%0.5850%0.502SS*.THydrogen-bonded Turntrans-118.9-8.8-175.156.70000115.5K33 L34 I35K33-S37 PolarHBondContact O-OG 3.38Å; K33-S37 VanDerWaalsContact O-OG 3.14Å; L34-S37 WeakPolarHBondContact CA-OG 3.13Å; L34-S37 PolarHBondContact O-N 3.04Å; L34-S37 PolarHBondContact O-OG 3.3Å; I35-S37 PolarHBondContact O-N 3.05Å; I35-S37 VanDerWaalsContact O-N 3.12Å
38T60.3Low71.4Confident77 Ų7794 Ų9447%0.47251%0.508SS..SBendtrans-153138.4-173-370000112.1L34L34-T38 PolarHBondContact O-N 3.16Å; L34-T38 VanDerWaalsContact O-N 3.17Å
39E55.7Low71.2Confident182 Ų18289.7 Ų89.785%0.8550%0.496SS*.  trans-58.7137.3177-72.7-178.116500112.4
40T59.5Low71.1Confident62 Ų6288.9 Ų88.938%0.3849%0.49SS..THydrogen-bonded Turn-102.5-2.7-121-22.70000115.9I35 Q44I35-T40 HydrophobicContact CB-CG2 4.13Å; I35-T40 HydrophobicContact CG1-CG2 3.9Å; I35-T40 HydrophobicContact CG2-CG2 3.56Å; T40-Q44 VanDerWaalsContact O-CG 3.27Å; T40-Q44 WeakPolarHBondContact O-CG 3.46Å
41E55.6Low71.2Confident162 Ų16292 Ų9276%0.75751%0.509SS*.THydrogen-bonded Turntrans-98.7-43.5-172.9-71.4-168.1157.400114.1Q44 K45E41-Q44 PolarHBondContact O-N 3.3Å; E41-K45 PolarHBondContact O-N 3.38Å
42S56.3Low71.5Confident102 Ų10294.7 Ų94.771%0.71352%0.52SS*.Hα-helixtrans-65.5-41.7178.3178.10000111.3Q44 K45 A46S42-Q44 VanDerWaalsContact C-N 3.26Å; S42-Q44 PolarHBondContact O-N 3.48Å; S42-K45 PolarHBondContact O-N 2.94Å; S42-A46 PolarHBondContact O-N 3.21Å
43A58.6Low71.6Confident27 Ų2787 Ų8722%0.22349%0.487CS..Hα-helixtrans-63.1-32.4178.800000112.5L34 L47L34-A43 HydrophobicContact CD2-CB 4.28Å; A43-L47 WeakPolarHBondContact O-CG 3.47Å
44Q58.5Low71.9Confident98 Ų9885 Ų8546%0.45848%0.475SS..Hα-helixtrans-74.2-39.2178.3-77.7-178.810.700112.9T40 E41 S42 A46 L47T40-Q44 VanDerWaalsContact O-CG 3.27Å; T40-Q44 WeakPolarHBondContact O-CG 3.46Å; E41-Q44 PolarHBondContact O-N 3.3Å; S42-Q44 VanDerWaalsContact C-N 3.26Å; S42-Q44 PolarHBondContact O-N 3.48Å; Q44-A46 PolarHBondContact O-N 3Å; Q44-L47 HydrophobicContact CB-CD1 4.4Å; Q44-L47 HydrophobicContact CG-CD1 4.29Å; Q44-L47 WeakPolarHBondContact O-CB 3.45Å; Q44-L47 WeakPolarHBondContact O-CG 3.32Å; Q44-L47 PolarHBondContact O-N 3.42Å; Q44-L47 VanDerWaalsContact O-N 3.12Å
45K59.3Low72.4Confident191 Ų19189.2 Ų89.283%0.8350%0.496SS*.Hα-helixtrans-65.8-26176-76.4-178.2178.5174.60113E41 S42 L47E41-K45 PolarHBondContact O-N 3.38Å; S42-K45 PolarHBondContact O-N 2.94Å; K45-L47 VanDerWaalsContact C-N 3.28Å
46A67.3Low73.1Confident77 Ų7789.2 Ų89.264%0.63649%0.493SS*.THydrogen-bonded Turntrans-80.2-4.5174.900000113.9S42 Q44 L48S42-A46 PolarHBondContact O-N 3.21Å; Q44-A46 PolarHBondContact O-N 3Å; A46-L48 PolarHBondContact O-N 3.16Å
47L77.2Confident74Confident30 Ų3087 Ų8716%0.15746%0.462CS..SBendtrans-78.9116.3179.7-60.7168.8000110.3I31 L34 A43 Q44 K45 L97I31-L47 HydrophobicContact CD1-CD1 4.05Å; I31-L47 HydrophobicContact CG1-CD1 4Å; I31-L47 HydrophobicContact CG1-CD2 4.31Å; I31-L47 HydrophobicContact CG2-CD1 4.33Å; L34-L47 HydrophobicContact CD2-CD2 3.93Å; A43-L47 WeakPolarHBondContact O-CG 3.47Å; Q44-L47 HydrophobicContact CB-CD1 4.4Å; Q44-L47 HydrophobicContact CG-CD1 4.29Å; Q44-L47 WeakPolarHBondContact O-CB 3.45Å; Q44-L47 WeakPolarHBondContact O-CG 3.32Å; Q44-L47 PolarHBondContact O-N 3.42Å; Q44-L47 VanDerWaalsContact O-N 3.12Å; K45-L47 VanDerWaalsContact C-N 3.28Å; L47-L97 HydrophobicContact CB-CD1 4.29Å; L47-L97 HydrophobicContact CD2-CD1 3.44Å; L47-L97 VanDerWaalsContact CD2-CD1 3.44Å; L47-L97 HydrophobicContact CD2-CD2 4.28Å; L47-L97 HydrophobicContact CD2-CG 4.35Å; L47-L97 HydrophobicContact CG-CD1 4.44Å
48L79.4Confident75Confident49 Ų4986.4 Ų86.426%0.25746%0.458SS..PPolyproline II helixtrans-50.7140.8167.9-63168.7000110.7R27 A46 E52 E53 L97R27-L48 PolarHBondContact NH1-O 3.29Å; R27-L48 PolarHBondContact NH2-O 2.87Å; A46-L48 PolarHBondContact O-N 3.16Å; L48-E52 VanDerWaalsContact CA-OE2 3.25Å; L48-E52 WeakPolarHBondContact CA-OE2 3.28Å; L48-E52 HydrophobicContact CB-CB 4.02Å; L48-E52 HydrophobicContact CD2-CB 3.99Å; L48-E53 HydrophobicContact CB-CG 3.98Å; L48-E53 HydrophobicContact CD1-CG 4.43Å; L48-L97 HydrophobicContact CB-CD2 4.16Å; L48-L97 HydrophobicContact CD1-CD2 4.16Å; L48-L97 HydrophobicContact CG-CD2 4.05Å
49T84.6Confident76.6Confident70 Ų7087.1 Ų87.143%0.42946%0.457SS..PPolyproline II helixtrans-67.1169168.965.40000111.3D51 E52 E53T49-D51 PolarHBondContact O-N 2.88Å; T49-E52 PolarHBondContact N-OE2 3.02Å; T49-E52 PolarHBondContact O-N 3.3Å; T49-E52 WeakPolarHBondContact OG1-CB 3.25Å; T49-E52 VanDerWaalsContact OG1-CG 3.24Å; T49-E52 WeakPolarHBondContact OG1-CG 3.15Å; T49-E52 PolarHBondContact OG1-N 3.14Å; T49-E52 VanDerWaalsContact OG1-N 3.13Å; T49-E52 PolarHBondContact OG1-OE2 2.84Å; T49-E53 WeakPolarHBondContact O-CB 3.5Å; T49-E53 WeakPolarHBondContact O-CG 3.34Å; T49-E53 PolarHBondContact O-N 3.37Å
50V84.9Confident78.5Confident82 Ų8278.9 Ų78.950%0.49742%0.419SS..Hα-helixtrans-61.1-35.8176.8177.20000111.3R54V50-R54 PolarHBondContact O-N 3.38Å
51D87.7Confident80.2Confident99 Ų9977.7 Ų77.753%0.52941%0.409SS..Hα-helixtrans-75.5-40.4179.5-65.8-43.8000111.8T49 E53 R54 M55T49-D51 PolarHBondContact O-N 2.88Å; D51-E53 VanDerWaalsContact C-N 3.34Å; D51-E53 PolarHBondContact O-N 3.12Å; D51-R54 CarbonylContact O-C 3.49Å; D51-R54 WeakPolarHBondContact O-CA 3.43Å; D51-R54 WeakPolarHBondContact O-CB 3.43Å; D51-R54 PolarHBondContact O-N 3.33Å; D51-R54 VanDerWaalsContact O-N 3.1Å; D51-M55 WeakPolarHBondContact O-CG 3.29Å; D51-M55 PolarHBondContact O-N 2.93Å
52E88.2Confident82.1Confident90 Ų9075 Ų7542%0.42140%0.396SS..Hα-helixtrans-61.8-42.6172.5-73.4169.815300111.5L48 T49 R54 M55 F56L48-E52 VanDerWaalsContact CA-OE2 3.25Å; L48-E52 WeakPolarHBondContact CA-OE2 3.28Å; L48-E52 HydrophobicContact CB-CB 4.02Å; L48-E52 HydrophobicContact CD2-CB 3.99Å; T49-E52 PolarHBondContact N-OE2 3.02Å; T49-E52 PolarHBondContact O-N 3.3Å; T49-E52 WeakPolarHBondContact OG1-CB 3.25Å; T49-E52 VanDerWaalsContact OG1-CG 3.24Å; T49-E52 WeakPolarHBondContact OG1-CG 3.15Å; T49-E52 PolarHBondContact OG1-N 3.14Å; T49-E52 VanDerWaalsContact OG1-N 3.13Å; T49-E52 PolarHBondContact OG1-OE2 2.84Å; E52-R54 VanDerWaalsContact C-N 3.27Å; E52-R54 PolarHBondContact O-N 3.38Å; E52-M55 PolarHBondContact O-N 3.15Å; E52-F56 VanDerWaalsContact O-CB 3.27Å; E52-F56 WeakPolarHBondContact O-CB 3.47Å; E52-F56 PolarHBondContact O-N 2.94Å
53E87.4Confident83.9Confident9 Ų974.1 Ų74.14%0.04238%0.384CS..Hα-helixtrans-58.6-40.4172.6-83-166.7-178.700111.8R27 L48 T49 D51 R57 S95 L96R27-E53 IonicContact CZ-OE1 3.57Å; R27-E53 IonicContact NH1-OE1 3.04Å; R27-E53 PolarHBondContact NH1-OE1 3.4Å; L48-E53 HydrophobicContact CB-CG 3.98Å; L48-E53 HydrophobicContact CD1-CG 4.43Å; T49-E53 WeakPolarHBondContact O-CB 3.5Å; T49-E53 WeakPolarHBondContact O-CG 3.34Å; T49-E53 PolarHBondContact O-N 3.37Å; D51-E53 VanDerWaalsContact C-N 3.34Å; D51-E53 PolarHBondContact O-N 3.12Å; E53-R57 WeakPolarHBondContact O-CG 3.27Å; E53-R57 PolarHBondContact O-N 3.33Å; E53-R57 VanDerWaalsContact O-N 3.14Å; E53-R57 PolarHBondContact O-NH1 3.34Å; E53-R57 IonicContact OE2-NH1 2.61Å; E53-S95 PolarHBondContact OE1-OG 3.42Å; E53-L96 HydrophobicContact CB-CD1 3.5Å; E53-L96 HydrophobicContact CG-CB 4.17Å; E53-L96 HydrophobicContact CG-CD1 3.7Å; E53-L96 VanDerWaalsContact O-CD1 3.25Å; E53-L96 WeakPolarHBondContact O-CD1 3.25Å
54R89.2Confident85.7Confident106 Ų10673.2 Ų73.240%0.438%0.376SS..Hα-helixtrans-65.6-50.1176.3-179-171.3-69-1000.5111.3D20 V50 D51 E52 F56 R57 S58D20-R54 IonicContact OD1-NH2 2.72Å; V50-R54 PolarHBondContact O-N 3.38Å; D51-R54 CarbonylContact O-C 3.49Å; D51-R54 WeakPolarHBondContact O-CA 3.43Å; D51-R54 WeakPolarHBondContact O-CB 3.43Å; D51-R54 PolarHBondContact O-N 3.33Å; D51-R54 VanDerWaalsContact O-N 3.1Å; E52-R54 VanDerWaalsContact C-N 3.27Å; E52-R54 PolarHBondContact O-N 3.38Å; R54-F56 VanDerWaalsContact C-N 3.3Å; R54-F56 PolarHBondContact O-N 3.48Å; R54-R57 VanDerWaalsContact CA-NH2 3.33Å; R54-R57 PolarHBondContact O-N 3.14Å; R54-S58 PolarHBondContact O-N 3.31Å; R54-S58 PolarHBondContact O-OG 3.03Å
55M91.3Very high87.4Confident136 Ų13671.1 Ų71.167%0.6737%0.368SS*.Hα-helixtrans-59.3-42.8178.8-71.6-177.5-178.200111.1D51 E52 R57 S58 M59D51-M55 WeakPolarHBondContact O-CG 3.29Å; D51-M55 PolarHBondContact O-N 2.93Å; E52-M55 PolarHBondContact O-N 3.15Å; M55-R57 PolarHBondContact O-N 3.06Å; M55-S58 PolarHBondContact O-N 3.39Å; M55-M59 PolarHBondContact O-N 2.72Å
56F89.9Confident89.1Confident69 Ų6967.4 Ų67.430%0.30335%0.352SS..Hα-helixtrans-64-41.4179.1-165.5-99.5000112.2E52 R54 M59 V60 L96 A102E52-F56 VanDerWaalsContact O-CB 3.27Å; E52-F56 WeakPolarHBondContact O-CB 3.47Å; E52-F56 PolarHBondContact O-N 2.94Å; R54-F56 VanDerWaalsContact C-N 3.3Å; R54-F56 PolarHBondContact O-N 3.48Å; F56-M59 HydrophobicContact CD2-CE 3.93Å; F56-M59 HydrophobicContact CE2-CE 3.84Å; F56-M59 PolarHBondContact O-N 2.68Å; F56-V60 HydrophobicContact CD1-CG2 4.19Å; F56-V60 HydrophobicContact CE1-CG2 4.09Å; F56-V60 VanDerWaalsContact O-CG2 3.26Å; F56-V60 WeakPolarHBondContact O-CG2 3.47Å; F56-V60 PolarHBondContact O-N 2.68Å; F56-L96 HydrophobicContact CD1-CD2 3.94Å; F56-L96 HydrophobicContact CE1-CD2 4.48Å; F56-A102 HydrophobicContact CD1-CB 4.23Å; F56-A102 HydrophobicContact CE1-CB 3.64Å
57R91.3Very high90.4Very high27 Ų2765.3 Ų65.310%0.10233%0.328CS..Hα-helixtrans-60.5-46.5172.7-72.8-176.7-54.5-98.10.8111.8E53 R54 M55 M59 V60 E61 F87 L96E53-R57 WeakPolarHBondContact O-CG 3.27Å; E53-R57 PolarHBondContact O-N 3.33Å; E53-R57 VanDerWaalsContact O-N 3.14Å; E53-R57 PolarHBondContact O-NH1 3.34Å; E53-R57 IonicContact OE2-NH1 2.61Å; R54-R57 VanDerWaalsContact CA-NH2 3.33Å; R54-R57 PolarHBondContact O-N 3.14Å; M55-R57 PolarHBondContact O-N 3.06Å; R57-M59 VanDerWaalsContact C-N 3.31Å; R57-M59 PolarHBondContact O-N 2.71Å; R57-V60 PolarHBondContact O-N 3.05Å; R57-E61 WeakPolarHBondContact O-CG 3.49Å; R57-E61 PolarHBondContact O-N 3.4Å; R57-F87 HydrophobicContact CB-CE1 4.2Å; R57-F87 HydrophobicContact CG-CE1 4.3Å; R57-F87 HydrophobicContact CG-CZ 4.49Å; R57-L96 HydrophobicContact CG-CD1 3.63Å; R57-L96 HydrophobicContact CG-CD2 3.99Å; R57-L96 HydrophobicContact CG-CG 4.25Å
58S93.2Very high91.2Very high70 Ų7063.9 Ų63.949%0.4932%0.321SS..Hα-helixtrans-59.8-42.9179-61.50000111.6R54 M55 V60 E61 E62R54-S58 PolarHBondContact O-N 3.31Å; R54-S58 PolarHBondContact O-OG 3.03Å; M55-S58 PolarHBondContact O-N 3.39Å; S58-V60 PolarHBondContact O-N 3.46Å; S58-E61 PolarHBondContact O-N 3.29Å; S58-E62 PolarHBondContact O-N 2.67Å
59M94.2Very high91.8Very high91 Ų9170.8 Ų70.845%0.44834%0.344SS..Hα-helixtrans-62.7-41.2176.6-174.3-176.575.800112.1M55 F56 R57 E62 N63M55-M59 PolarHBondContact O-N 2.72Å; F56-M59 HydrophobicContact CD2-CE 3.93Å; F56-M59 HydrophobicContact CE2-CE 3.84Å; F56-M59 PolarHBondContact O-N 2.68Å; R57-M59 VanDerWaalsContact C-N 3.31Å; R57-M59 PolarHBondContact O-N 2.71Å; M59-E62 PolarHBondContact O-N 3.05Å; M59-N63 WeakPolarHBondContact O-CB 3.39Å; M59-N63 VanDerWaalsContact O-CG 3.31Å; M59-N63 PolarHBondContact O-N 3.32Å; M59-N63 PolarHBondContact O-ND2 2.82Å
60V94.1Very high92.1Very high10 Ų1070.7 Ų70.76%0.06135%0.346CS..Hα-helixtrans-65.9-44.1176.8173.10000111F56 R57 S58 E62 N63 A64 F87 A102 M106F56-V60 HydrophobicContact CD1-CG2 4.19Å; F56-V60 HydrophobicContact CE1-CG2 4.09Å; F56-V60 VanDerWaalsContact O-CG2 3.26Å; F56-V60 WeakPolarHBondContact O-CG2 3.47Å; F56-V60 PolarHBondContact O-N 2.68Å; R57-V60 PolarHBondContact O-N 3.05Å; S58-V60 PolarHBondContact O-N 3.46Å; V60-E62 PolarHBondContact O-N 3.49Å; V60-N63 PolarHBondContact O-N 3.16Å; V60-A64 WeakPolarHBondContact O-CB 3.47Å; V60-A64 PolarHBondContact O-N 3.05Å; V60-F87 HydrophobicContact CB-CZ 4.02Å; V60-F87 HydrophobicContact CG1-CE2 3.67Å; V60-F87 HydrophobicContact CG1-CZ 3.64Å; V60-A102 HydrophobicContact CG1-CB 4.4Å; V60-A102 HydrophobicContact CG2-CB 3.87Å; V60-M106 HydrophobicContact CG1-CB 3.76Å; V60-M106 HydrophobicContact CG1-CG 4.12Å
61E95.6Very high92.4Very high36 Ų3667.1 Ų67.117%0.16832%0.324CS..Hα-helixtrans-59.2-44.5175.2-75.8-175.8-162.700111.4R57 S58 A64 L65 F84 F87 K88R57-E61 WeakPolarHBondContact O-CG 3.49Å; R57-E61 PolarHBondContact O-N 3.4Å; S58-E61 PolarHBondContact O-N 3.29Å; E61-A64 PolarHBondContact O-N 3.29Å; E61-L65 PolarHBondContact O-N 3.37Å; E61-F84 HydrophobicContact CB-CD1 4.33Å; E61-F84 HydrophobicContact CB-CE1 3.8Å; E61-F84 HydrophobicContact CG-CD1 4.22Å; E61-F84 HydrophobicContact CG-CE1 4.16Å; E61-F84 WeakPolarHBondContact O-CE1 3.16Å; E61-F84 VanDerWaalsContact O-CZ 3.22Å; E61-F84 WeakPolarHBondContact O-CZ 3.26Å; E61-F87 HydrophobicContact CG-CD1 3.76Å; E61-F87 HydrophobicContact CG-CE1 3.69Å; E61-K88 IonicContact OE1-NZ 3.89Å; E61-K88 PolarHBondContact OE1-NZ 2.89Å; E61-K88 IonicContact OE2-NZ 2.72Å; E61-K88 PolarHBondContact OE2-NZ 3.5Å
62E96.1Very high92.4Very high105 Ų10569 Ų6949%0.49133%0.33SS..Hα-helixtrans-65.2-45.7179-165.6-166.5149.700112.2S58 M59 V60 A64 L65 K66S58-E62 PolarHBondContact O-N 2.67Å; M59-E62 PolarHBondContact O-N 3.05Å; V60-E62 PolarHBondContact O-N 3.49Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.21Å; E62-L65 PolarHBondContact O-N 2.98Å; E62-K66 WeakPolarHBondContact O-CG 3.38Å; E62-K66 PolarHBondContact O-N 3.36Å; E62-K66 VanDerWaalsContact OE1-CE 3.25Å; E62-K66 WeakPolarHBondContact OE1-CE 3.41Å; E62-K66 IonicContact OE1-NZ 3.8Å; E62-K66 PolarHBondContact OE1-NZ 3.05Å
63N94.4Very high92.4Very high85 Ų8569.6 Ų69.646%0.45534%0.341SS..Hα-helixtrans-64.2-37.9177.3-74.7-28.9000112M59 V60 K66 F67M59-N63 WeakPolarHBondContact O-CB 3.39Å; M59-N63 VanDerWaalsContact O-CG 3.31Å; M59-N63 PolarHBondContact O-N 3.32Å; M59-N63 PolarHBondContact O-ND2 2.82Å; V60-N63 PolarHBondContact O-N 3.16Å; N63-K66 PolarHBondContact O-N 2.87Å; N63-F67 PolarHBondContact O-N 2.84Å
64A95.3Very high92.4Very high7 Ų774.5 Ų74.56%0.05837%0.373CS..Hα-helixtrans-65.9-39.1174.700000112V60 E61 E62 K66 F67 C68 F84 M106 I110V60-A64 WeakPolarHBondContact O-CB 3.47Å; V60-A64 PolarHBondContact O-N 3.05Å; E61-A64 PolarHBondContact O-N 3.29Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.21Å; A64-K66 VanDerWaalsContact C-N 3.33Å; A64-K66 PolarHBondContact O-N 3.35Å; A64-F67 WeakPolarHBondContact O-CB 3.46Å; A64-F67 PolarHBondContact O-N 3.16Å; A64-C68 PolarHBondContact O-N 3.36Å; A64-C68 PolarHBondContact O-SG 3.38Å; A64-F84 HydrophobicContact CB-CE2 4.38Å; A64-F84 HydrophobicContact CB-CZ 4.15Å; A64-M106 HydrophobicContact CB-CE 3.46Å; A64-M106 VanDerWaalsContact CB-CE 3.46Å; A64-M106 HydrophobicContact CB-CG 3.43Å; A64-M106 VanDerWaalsContact CB-CG 3.43Å; A64-M106 HydrophobicContact CB-SD 4.27Å; A64-I110 HydrophobicContact CB-CD1 4.24Å
65L95.7Very high92.6Very high54 Ų5470 Ų7028%0.28336%0.357SS..Hα-helixtrans-63.6-41.9176.4-173.359000111.1E61 E62 C68 R69 I80 F84E61-L65 PolarHBondContact O-N 3.37Å; E62-L65 PolarHBondContact O-N 2.98Å; L65-C68 PolarHBondContact O-N 3Å; L65-R69 WeakPolarHBondContact O-CB 3.48Å; L65-R69 WeakPolarHBondContact O-CG 3.47Å; L65-R69 PolarHBondContact O-N 3.43Å; L65-I80 HydrophobicContact CD1-CG2 4.15Å; L65-F84 HydrophobicContact CB-CE1 4.47Å; L65-F84 HydrophobicContact CB-CZ 3.81Å; L65-F84 HydrophobicContact CD1-CZ 4.36Å
66K94.5Very high92.7Very high114 Ų11466.3 Ų66.350%0.49634%0.343SS..Hα-helixtrans-60-45.7173.6-69.8172-173166.20111.1E62 N63 A64 R69 S70E62-K66 WeakPolarHBondContact O-CG 3.38Å; E62-K66 PolarHBondContact O-N 3.36Å; E62-K66 VanDerWaalsContact OE1-CE 3.25Å; E62-K66 WeakPolarHBondContact OE1-CE 3.41Å; E62-K66 IonicContact OE1-NZ 3.8Å; E62-K66 PolarHBondContact OE1-NZ 3.05Å; N63-K66 PolarHBondContact O-N 2.87Å; A64-K66 VanDerWaalsContact C-N 3.33Å; A64-K66 PolarHBondContact O-N 3.35Å; K66-R69 PolarHBondContact O-N 3.41Å; K66-S70 WeakPolarHBondContact O-CB 3.25Å; K66-S70 PolarHBondContact O-N 3.43Å; K66-S70 PolarHBondContact O-OG 2.82Å; K66-S70 VanDerWaalsContact O-OG 3.14Å
67F94.2Very high92.9Very high32 Ų3267.4 Ų67.414%0.1436%0.356CS..Hα-helixtrans-58.2-50.9175.6169.6-102.3000111.9N63 A64 R69 S70 F71 I110 F126 K129 L130N63-F67 PolarHBondContact O-N 2.84Å; A64-F67 WeakPolarHBondContact O-CB 3.46Å; A64-F67 PolarHBondContact O-N 3.16Å; F67-R69 VanDerWaalsContact C-N 3.31Å; F67-R69 PolarHBondContact O-N 2.9Å; F67-S70 WeakPolarHBondContact CA-OG 3.32Å; F67-S70 CarbonylContact O-C 3.6Å; F67-S70 PolarHBondContact O-N 2.96Å; F67-S70 VanDerWaalsContact O-N 3.13Å; F67-S70 PolarHBondContact O-OG 3.33Å; F67-F71 HydrophobicContact CE1-CD2 4.18Å; F67-F71 HydrophobicContact CE2-CD2 4.23Å; F67-F71 AromaticContact CZ-CD2 3.75Å; F67-F71 HydrophobicContact CZ-CD2 3.75Å; F67-F71 AromaticContact CZ-CE2 3.94Å; F67-F71 HydrophobicContact CZ-CE2 3.94Å; F67-F71 PolarHBondContact O-N 3.47Å; F67-I110 HydrophobicContact CD1-CD1 3.91Å; F67-I110 HydrophobicContact CE1-CD1 4.2Å; F67-I110 HydrophobicContact CE1-CG2 4.37Å; F67-F126 AromaticContact CE1-CE2 3.93Å; F67-F126 HydrophobicContact CE1-CE2 3.93Å; F67-F126 AromaticContact CE1-CZ 3.92Å; F67-F126 HydrophobicContact CE1-CZ 3.92Å; F67-F126 HydrophobicContact CZ-CE2 4.02Å; F67-F126 HydrophobicContact CZ-CZ 4.05Å; F67-K129 HydrophobicContact CE2-CB 4.22Å; F67-L130 HydrophobicContact CE2-CD2 3.74Å; F67-L130 HydrophobicContact CZ-CD2 3.79Å
68C94.5Very high93Very high1 Ų170.7 Ų70.71%0.00737%0.368CS..Hα-helixtrans-60.9-38.3-179.8-67.40000112.8A64 L65 F71 L75 I80A64-C68 PolarHBondContact O-N 3.36Å; A64-C68 PolarHBondContact O-SG 3.38Å; L65-C68 PolarHBondContact O-N 3Å; C68-F71 WeakPolarHBondContact O-CB 3.33Å; C68-F71 PolarHBondContact O-N 2.66Å; C68-L75 HydrophobicContact CB-CD1 4.03Å; C68-I80 HydrophobicContact CB-CD1 3.81Å; C68-I80 HydrophobicContact CB-CG1 3.87Å; C68-I80 HydrophobicContact CB-CG2 4.35Å
69R90.9Very high93.1Very high193 Ų19367.4 Ų67.473%0.72835%0.345SS*.Hα-helixtrans-71.3-29.6176.8-73.7178176.8176.7-0.9113.3L65 K66 F67 F71L65-R69 WeakPolarHBondContact O-CB 3.48Å; L65-R69 WeakPolarHBondContact O-CG 3.47Å; L65-R69 PolarHBondContact O-N 3.43Å; K66-R69 PolarHBondContact O-N 3.41Å; F67-R69 VanDerWaalsContact C-N 3.31Å; F67-R69 PolarHBondContact O-N 2.9Å; R69-F71 VanDerWaalsContact C-N 3.28Å
70S91.8Very high93.2Very high68 Ų6864.5 Ų64.548%0.47633%0.331SS..THydrogen-bonded Turntrans-84.80.7175.465.40000113.9K66 F67K66-S70 WeakPolarHBondContact O-CB 3.25Å; K66-S70 PolarHBondContact O-N 3.43Å; K66-S70 PolarHBondContact O-OG 2.82Å; K66-S70 VanDerWaalsContact O-OG 3.14Å; F67-S70 WeakPolarHBondContact CA-OG 3.32Å; F67-S70 CarbonylContact O-C 3.6Å; F67-S70 PolarHBondContact O-N 2.96Å; F67-S70 VanDerWaalsContact O-N 3.13Å; F67-S70 PolarHBondContact O-OG 3.33Å
71F90.7Very high93.3Very high7 Ų767.6 Ų67.63%0.03134%0.342CS..  trans-74.9135.5-178.2-155.8-93.2000109.8F67 C68 R69 P73 P74 L75 I121 F126 K129F67-F71 HydrophobicContact CE1-CD2 4.18Å; F67-F71 HydrophobicContact CE2-CD2 4.23Å; F67-F71 AromaticContact CZ-CD2 3.75Å; F67-F71 HydrophobicContact CZ-CD2 3.75Å; F67-F71 AromaticContact CZ-CE2 3.94Å; F67-F71 HydrophobicContact CZ-CE2 3.94Å; F67-F71 PolarHBondContact O-N 3.47Å; C68-F71 WeakPolarHBondContact O-CB 3.33Å; C68-F71 PolarHBondContact O-N 2.66Å; R69-F71 VanDerWaalsContact C-N 3.28Å; F71-P73 CarbonylContact C-O 3.56Å; F71-P73 VanDerWaalsContact CD1-O 3.23Å; F71-P73 WeakPolarHBondContact CD1-O 3.31Å; F71-P73 CarbonylContact O-C 3.33Å; F71-P74 WeakPolarHBondContact O-CA 3.46Å; F71-L75 HydrophobicContact CB-CD1 4.23Å; F71-L75 HydrophobicContact CB-CG 3.91Å; F71-L75 HydrophobicContact CD1-CD1 4.43Å; F71-L75 HydrophobicContact CD1-CD2 3.75Å; F71-L75 HydrophobicContact CD1-CG 3.67Å; F71-L75 HydrophobicContact CD2-CD1 4.45Å; F71-L75 HydrophobicContact CE1-CD2 3.95Å; F71-L75 HydrophobicContact CE1-CG 4.36Å; F71-L75 HydrophobicContact CG-CD1 4.14Å; F71-L75 HydrophobicContact CG-CD2 4.27Å; F71-L75 HydrophobicContact CG-CG 3.79Å; F71-I121 HydrophobicContact CE1-CD1 4.01Å; F71-I121 HydrophobicContact CE1-CG2 4.42Å; F71-I121 HydrophobicContact CZ-CD1 4.27Å; F71-I121 HydrophobicContact CZ-CG2 4.08Å; F71-F126 AromaticContact CE2-CD2 3.7Å; F71-F126 HydrophobicContact CE2-CD2 3.7Å; F71-F126 HydrophobicContact CE2-CE2 4.06Å; F71-F126 AromaticContact CZ-CD2 3.85Å; F71-F126 HydrophobicContact CZ-CD2 3.85Å; F71-K129 HydrophobicContact CD2-CB 3.94Å; F71-K129 HydrophobicContact CD2-CG 3.98Å; F71-K129 HydrophobicContact CE2-CB 3.65Å; F71-K129 HydrophobicContact CE2-CG 3.55Å; F71-K129 HydrophobicContact CZ-CB 4.49Å; F71-K129 HydrophobicContact CZ-CG 3.92Å
72E88.3Confident93.4Very high140 Ų14065.9 Ų65.965%0.65433%0.334SS*.SBendtrans-127119.3-179.8-83.6176.1-179.300109.9K129E72-K129 WeakPolarHBondContact O-CE 3.44Å; E72-K129 PolarHBondContact O-NZ 2.9Å
73P88Confident93.5Very high102 Ų10260.9 Ų60.966%0.66231%0.311SS*.SBendcis-65.7158-2.229.4-36000112.8F71 L75F71-P73 CarbonylContact C-O 3.56Å; F71-P73 VanDerWaalsContact CD1-O 3.23Å; F71-P73 WeakPolarHBondContact CD1-O 3.31Å; F71-P73 CarbonylContact O-C 3.33Å; P73-L75 PolarHBondContact O-N 2.61Å
74P87.3Confident93.6Very high111 Ų11158.5 Ų58.572%0.72130%0.297SS*.PPolyproline II helixtrans-54.3133.8-176.8-25.733.8000112.9F71F71-P74 WeakPolarHBondContact O-CA 3.46Å
75L92.9Very high93.7Very high11 Ų1159.1 Ų59.16%0.05830%0.3CS..PPolyproline II helixtrans-65.4133.2172.5-73.8176.8000109.9C68 F71 P73 V79 I80 I110 I121C68-L75 HydrophobicContact CB-CD1 4.03Å; F71-L75 HydrophobicContact CB-CD1 4.23Å; F71-L75 HydrophobicContact CB-CG 3.91Å; F71-L75 HydrophobicContact CD1-CD1 4.43Å; F71-L75 HydrophobicContact CD1-CD2 3.75Å; F71-L75 HydrophobicContact CD1-CG 3.67Å; F71-L75 HydrophobicContact CD2-CD1 4.45Å; F71-L75 HydrophobicContact CE1-CD2 3.95Å; F71-L75 HydrophobicContact CE1-CG 4.36Å; F71-L75 HydrophobicContact CG-CD1 4.14Å; F71-L75 HydrophobicContact CG-CD2 4.27Å; F71-L75 HydrophobicContact CG-CG 3.79Å; P73-L75 PolarHBondContact O-N 2.61Å; L75-V79 HydrophobicContact CD2-CG1 4.43Å; L75-I80 HydrophobicContact CB-CD1 4.17Å; L75-I80 HydrophobicContact CB-CG1 3.98Å; L75-I110 HydrophobicContact CD1-CG2 3.92Å; L75-I121 HydrophobicContact CD2-CD1 3.36Å
76P93.6Very high93.7Very high59 Ų5956.6 Ų56.638%0.38329%0.286SS..PPolyproline II helixtrans-56.1142.2174.9-24.432.6000111.7R78 V79 I80P76-R78 PolarHBondContact O-N 2.98Å; P76-R78 VanDerWaalsContact O-N 3.13Å; P76-V79 HydrophobicContact CB-CG2 4.11Å; P76-V79 HydrophobicContact CG-CG2 4.11Å; P76-V79 WeakPolarHBondContact O-CB 3.39Å; P76-V79 PolarHBondContact O-N 3.31Å; P76-I80 PolarHBondContact O-N 3.5Å
77T93.6Very high93.8Very high92 Ų9251.1 Ų51.156%0.56426%0.263SS*.Hα-helixtrans-55-35.2179.6-530000112.4I80 Y81 F163T77-I80 PolarHBondContact O-N 2.88Å; T77-Y81 WeakPolarHBondContact O-CB 3.2Å; T77-Y81 PolarHBondContact O-N 3.42Å; T77-F163 HydrophobicContact CG2-CD2 4.48Å; T77-F163 HydrophobicContact CG2-CE1 4.11Å; T77-F163 HydrophobicContact CG2-CE2 3.78Å; T77-F163 HydrophobicContact CG2-CZ 3.56Å
78R94.1Very high93.8Very high97 Ų9754.2 Ų54.237%0.36628%0.276SS..Hα-helixtrans-60.1-47175.2-65.2-176.8-174.5-113.20.3112P76 I80 Y81 T82 E117 E161 T164P76-R78 PolarHBondContact O-N 2.98Å; P76-R78 VanDerWaalsContact O-N 3.13Å; R78-I80 VanDerWaalsContact C-N 3.35Å; R78-I80 PolarHBondContact O-N 2.96Å; R78-Y81 PolarHBondContact O-N 3.38Å; R78-T82 WeakPolarHBondContact O-CB 3.46Å; R78-T82 PolarHBondContact O-N 3Å; R78-T82 PolarHBondContact O-OG1 3.31Å; R78-E117 HydrophobicContact CB-CG 4.46Å; R78-E161 VanDerWaalsContact CD-OE1 3.24Å; R78-E161 WeakPolarHBondContact CD-OE1 3.28Å; R78-E161 HydrophobicContact CG-CG 4.43Å; R78-E161 WeakPolarHBondContact CG-OE1 3.46Å; R78-E161 IonicContact CZ-OE1 2.7Å; R78-E161 IonicContact CZ-OE2 2.76Å; R78-E161 IonicContact NE-OE1 2.82Å; R78-E161 VanDerWaalsContact NH1-CD 3.26Å; R78-E161 IonicContact NH1-OE1 3.71Å; R78-E161 PolarHBondContact NH1-OE1 3.5Å; R78-E161 IonicContact NH1-OE2 2.71Å; R78-E161 PolarHBondContact NH1-OE2 2.89Å; R78-T164 PolarHBondContact NH1-OG1 2.9Å; R78-T164 VanDerWaalsContact NH1-OG1 3.09Å; R78-T164 PolarHBondContact NH2-OG1 3.01Å
79V95.7Very high93.9Very high1 Ų154.5 Ų54.51%0.00628%0.277CS..Hα-helixtrans-57.6-47.6176.31760000111.1L75 P76 T82 A83 A113 E117L75-V79 HydrophobicContact CD2-CG1 4.43Å; P76-V79 HydrophobicContact CB-CG2 4.11Å; P76-V79 HydrophobicContact CG-CG2 4.11Å; P76-V79 WeakPolarHBondContact O-CB 3.39Å; P76-V79 PolarHBondContact O-N 3.31Å; V79-T82 PolarHBondContact O-N 3.39Å; V79-A83 WeakPolarHBondContact O-CB 3.47Å; V79-A83 PolarHBondContact O-N 3.07Å; V79-A113 HydrophobicContact CG1-CB 4.21Å; V79-E117 HydrophobicContact CG2-CB 3.81Å; V79-E117 HydrophobicContact CG2-CG 4.24Å
80I96.4Very high94Very high29 Ų2945.3 Ų45.315%0.14924%0.242CC..Hα-helixtrans-62.5-46.8-179.9-56.5175.4000109.8L65 C68 L75 P76 T77 R78 A83 F84L65-I80 HydrophobicContact CD1-CG2 4.15Å; C68-I80 HydrophobicContact CB-CD1 3.81Å; C68-I80 HydrophobicContact CB-CG1 3.87Å; C68-I80 HydrophobicContact CB-CG2 4.35Å; L75-I80 HydrophobicContact CB-CD1 4.17Å; L75-I80 HydrophobicContact CB-CG1 3.98Å; P76-I80 PolarHBondContact O-N 3.5Å; T77-I80 PolarHBondContact O-N 2.88Å; R78-I80 VanDerWaalsContact C-N 3.35Å; R78-I80 PolarHBondContact O-N 2.96Å; I80-A83 PolarHBondContact O-N 3.23Å; I80-F84 HydrophobicContact CG2-CD2 4.09Å; I80-F84 HydrophobicContact CG2-CE2 3.93Å; I80-F84 WeakPolarHBondContact O-CD2 3.38Å; I80-F84 PolarHBondContact O-N 3.41Å; I80-F84 VanDerWaalsContact O-N 3.12Å
81Y96.7Very high94Very high75 Ų7542.3 Ų42.329%0.29422%0.221SC..Hα-helixtrans-60.1-50178.7-175.8-90000112T77 R78 A83 F84 V85 V159 E161 P162 F163T77-Y81 WeakPolarHBondContact O-CB 3.2Å; T77-Y81 PolarHBondContact O-N 3.42Å; R78-Y81 PolarHBondContact O-N 3.38Å; Y81-A83 VanDerWaalsContact C-N 3.31Å; Y81-A83 PolarHBondContact O-N 3.03Å; Y81-F84 PolarHBondContact O-N 3.46Å; Y81-V85 HydrophobicContact CD1-CG2 3.99Å; Y81-V85 HydrophobicContact CE1-CG2 3.56Å; Y81-V85 WeakPolarHBondContact O-CG2 3.43Å; Y81-V85 PolarHBondContact O-N 3.16Å; Y81-V159 HydrophobicContact CD1-CG1 3.87Å; Y81-V159 HydrophobicContact CE1-CG1 3.58Å; Y81-E161 HydrophobicContact CD1-CB 3.62Å; Y81-E161 HydrophobicContact CD1-CG 3.99Å; Y81-E161 HydrophobicContact CE1-CB 3.76Å; Y81-E161 HydrophobicContact CE1-CG 4.45Å; Y81-E161 HydrophobicContact CG-CB 4.18Å; Y81-P162 HydrophobicContact CE2-CG 4.08Å; Y81-P162 VanDerWaalsContact CZ-CD 3.42Å; Y81-F163 HydrophobicContact CD2-CE2 4.04Å; Y81-F163 AromaticContact CD2-CZ 3.96Å; Y81-F163 HydrophobicContact CD2-CZ 3.96Å; Y81-F163 AromaticContact CG-CE2 3.95Å; Y81-F163 HydrophobicContact CG-CE2 3.95Å; Y81-F163 HydrophobicContact CG-CZ 4.32Å
82T97.1Very high94.1Very high0 Ų042.5 Ų42.50%022%0.222CC..Hα-helixtrans-60.3-40.2179.4-68.30000111.6R78 V79 F84 V85 H86 A113 I116 E117 V159R78-T82 WeakPolarHBondContact O-CB 3.46Å; R78-T82 PolarHBondContact O-N 3Å; R78-T82 PolarHBondContact O-OG1 3.31Å; V79-T82 PolarHBondContact O-N 3.39Å; T82-F84 PolarHBondContact O-N 2.94Å; T82-V85 PolarHBondContact O-N 3.11Å; T82-H86 WeakPolarHBondContact O-CB 3.43Å; T82-H86 PolarHBondContact O-CD2 3.02Å; T82-H86 PolarHBondContact O-N 3.09Å; T82-A113 HydrophobicContact CG2-CB 3.99Å; T82-I116 HydrophobicContact CG2-CG2 4.46Å; T82-E117 WeakPolarHBondContact CB-OE1 3.32Å; T82-E117 HydrophobicContact CG2-CG 4.34Å; T82-E117 WeakPolarHBondContact CG2-OE1 3.32Å; T82-E117 PolarHBondContact OG1-OE1 3.23Å; T82-V159 HydrophobicContact CG2-CB 4.28Å; T82-V159 HydrophobicContact CG2-CG2 3.97Å
83A97.4Very high94Very high0 Ų038.3 Ų38.30%020%0.204CC..Hα-helixtrans-60.4-46.2174.800000112.3V79 I80 Y81 H86 F87 M106 I109 I110 A113V79-A83 WeakPolarHBondContact O-CB 3.47Å; V79-A83 PolarHBondContact O-N 3.07Å; I80-A83 PolarHBondContact O-N 3.23Å; Y81-A83 VanDerWaalsContact C-N 3.31Å; Y81-A83 PolarHBondContact O-N 3.03Å; A83-H86 PolarHBondContact O-N 3.46Å; A83-F87 WeakPolarHBondContact O-CB 3.44Å; A83-F87 PolarHBondContact O-N 3.29Å; A83-M106 HydrophobicContact CB-CE 4.44Å; A83-I109 HydrophobicContact CB-CG2 4.12Å; A83-I109 WeakPolarHBondContact O-CG2 3.45Å; A83-I110 HydrophobicContact CB-CB 4.45Å; A83-I110 HydrophobicContact CB-CG1 3.9Å; A83-A113 HydrophobicContact CB-CB 3.78Å
84F97.3Very high93.8Very high35 Ų3533.6 Ų33.615%0.15417%0.174CC..Hα-helixtrans-68.9-37.1-178.9-83.4-116.4000112.1E61 A64 L65 I80 Y81 T82 F87 K88 M106E61-F84 HydrophobicContact CB-CD1 4.33Å; E61-F84 HydrophobicContact CB-CE1 3.8Å; E61-F84 HydrophobicContact CG-CD1 4.22Å; E61-F84 HydrophobicContact CG-CE1 4.16Å; E61-F84 WeakPolarHBondContact O-CE1 3.16Å; E61-F84 VanDerWaalsContact O-CZ 3.22Å; E61-F84 WeakPolarHBondContact O-CZ 3.26Å; A64-F84 HydrophobicContact CB-CE2 4.38Å; A64-F84 HydrophobicContact CB-CZ 4.15Å; L65-F84 HydrophobicContact CB-CE1 4.47Å; L65-F84 HydrophobicContact CB-CZ 3.81Å; L65-F84 HydrophobicContact CD1-CZ 4.36Å; I80-F84 HydrophobicContact CG2-CD2 4.09Å; I80-F84 HydrophobicContact CG2-CE2 3.93Å; I80-F84 WeakPolarHBondContact O-CD2 3.38Å; I80-F84 PolarHBondContact O-N 3.41Å; I80-F84 VanDerWaalsContact O-N 3.12Å; Y81-F84 PolarHBondContact O-N 3.46Å; T82-F84 PolarHBondContact O-N 2.94Å; F84-F87 PolarHBondContact O-N 2.81Å; F84-K88 WeakPolarHBondContact O-CG 3.37Å; F84-K88 PolarHBondContact O-N 3.22Å; F84-M106 HydrophobicContact CD2-CE 3.49Å; F84-M106 VanDerWaalsContact CD2-CE 3.49Å; F84-M106 HydrophobicContact CE1-CE 4.5Å; F84-M106 HydrophobicContact CE2-CE 3.38Å; F84-M106 HydrophobicContact CG-CE 4.14Å; F84-M106 HydrophobicContact CZ-CE 3.92Å
85V96.7Very high93.3Very high21 Ų2128.6 Ų28.613%0.12714%0.142CC..Hα-helixtrans-61.8-48.3172.7171.30000110.3Y81 T82 F87 K88 R89 V159Y81-V85 HydrophobicContact CD1-CG2 3.99Å; Y81-V85 HydrophobicContact CE1-CG2 3.56Å; Y81-V85 WeakPolarHBondContact O-CG2 3.43Å; Y81-V85 PolarHBondContact O-N 3.16Å; T82-V85 PolarHBondContact O-N 3.11Å; V85-F87 VanDerWaalsContact C-N 3.33Å; V85-F87 PolarHBondContact O-N 3.49Å; V85-K88 PolarHBondContact O-N 2.87Å; V85-R89 HydrophobicContact CG1-CG 4.23Å; V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.24Å; V85-R89 PolarHBondContact O-N 3.34Å; V85-V159 HydrophobicContact CB-CG1 4.05Å; V85-V159 HydrophobicContact CB-CG2 4.17Å; V85-V159 HydrophobicContact CG1-CG1 3.97Å; V85-V159 HydrophobicContact CG1-CG2 3.78Å; V85-V159 HydrophobicContact CG2-CG1 3.95Å
86H97Very high92.4Very high0 Ų028.3 Ų28.30%014%0.14CC..Hα-helixtrans-62.9-37.2178.2-76.2-34.5000112.9T82 A83 R89 F90 I109 L153 L157T82-H86 WeakPolarHBondContact O-CB 3.43Å; T82-H86 PolarHBondContact O-CD2 3.02Å; T82-H86 PolarHBondContact O-N 3.09Å; A83-H86 PolarHBondContact O-N 3.46Å; H86-R89 PolarHBondContact O-N 3.21Å; H86-F90 VanDerWaalsContact O-CB 3.29Å; H86-F90 WeakPolarHBondContact O-CB 3.47Å; H86-F90 PolarHBondContact O-N 3.33Å; H86-I109 HydrophobicContact CB-CG2 3.69Å; H86-L153 HydrophobicContact CB-CD1 4.03Å; H86-L153 HydrophobicContact CB-CD2 4.37Å; H86-L157 PolarHBondContact CE1-O 3.47Å; H86-L157 PolarHBondContact NE2-O 3.19Å
87F96.1Very high91.2Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-60.3-46.6173.4-176.8-96.5000111.9R57 V60 E61 A83 F84 V85 F90 Y91 M106 I109R57-F87 HydrophobicContact CB-CE1 4.2Å; R57-F87 HydrophobicContact CG-CE1 4.3Å; R57-F87 HydrophobicContact CG-CZ 4.49Å; V60-F87 HydrophobicContact CB-CZ 4.02Å; V60-F87 HydrophobicContact CG1-CE2 3.67Å; V60-F87 HydrophobicContact CG1-CZ 3.64Å; E61-F87 HydrophobicContact CG-CD1 3.76Å; E61-F87 HydrophobicContact CG-CE1 3.69Å; A83-F87 WeakPolarHBondContact O-CB 3.44Å; A83-F87 PolarHBondContact O-N 3.29Å; F84-F87 PolarHBondContact O-N 2.81Å; V85-F87 VanDerWaalsContact C-N 3.33Å; V85-F87 PolarHBondContact O-N 3.49Å; F87-F90 PolarHBondContact O-N 3.48Å; F87-Y91 HydrophobicContact CD1-CD2 4.26Å; F87-Y91 AromaticContact CD2-CD2 3.97Å; F87-Y91 HydrophobicContact CD2-CD2 3.97Å; F87-Y91 AromaticContact CD2-CE2 3.82Å; F87-Y91 HydrophobicContact CD2-CE2 3.82Å; F87-Y91 AromaticContact CE1-CD2 3.94Å; F87-Y91 HydrophobicContact CE1-CD2 3.94Å; F87-Y91 HydrophobicContact CE1-CE2 4.33Å; F87-Y91 AromaticContact CE2-CD2 3.66Å; F87-Y91 HydrophobicContact CE2-CD2 3.66Å; F87-Y91 AromaticContact CE2-CE2 3.26Å; F87-Y91 HydrophobicContact CE2-CE2 3.26Å; F87-Y91 HydrophobicContact CG-CD2 4.27Å; F87-Y91 AromaticContact CZ-CD2 3.62Å; F87-Y91 HydrophobicContact CZ-CD2 3.62Å; F87-Y91 AromaticContact CZ-CE2 3.54Å; F87-Y91 HydrophobicContact CZ-CE2 3.54Å; F87-Y91 PolarHBondContact O-N 3.2Å; F87-Y91 VanDerWaalsContact O-N 3.12Å; F87-M106 HydrophobicContact CB-SD 3.71Å; F87-M106 HydrophobicContact CD2-CB 3.96Å; F87-M106 HydrophobicContact CD2-CG 4.17Å; F87-M106 HydrophobicContact CD2-SD 3.45Å; F87-M106 WeakPolarHBondContact CD2-SD 3.24Å; F87-M106 HydrophobicContact CE2-CB 3.94Å; F87-M106 HydrophobicContact CE2-CG 4.39Å; F87-M106 HydrophobicContact CE2-SD 4.21Å; F87-M106 HydrophobicContact CG-SD 3.72Å; F87-I109 HydrophobicContact CB-CD1 4.22Å; F87-I109 HydrophobicContact CD2-CD1 4.29Å
88K94.7Very high89.8Confident96 Ų9628 Ų2842%0.41712%0.122SC..Hα-helixtrans-63.7-42.7176.7-69.1178.3-166.1-60.90111.8E61 F84 V85 L92E61-K88 IonicContact OE1-NZ 3.89Å; E61-K88 PolarHBondContact OE1-NZ 2.89Å; E61-K88 IonicContact OE2-NZ 2.72Å; E61-K88 PolarHBondContact OE2-NZ 3.5Å; F84-K88 WeakPolarHBondContact O-CG 3.37Å; F84-K88 PolarHBondContact O-N 3.22Å; V85-K88 PolarHBondContact O-N 2.87Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 PolarHBondContact O-N 3.05Å
89R95.4Very high88.3Confident8 Ų825 Ų253%0.0311%0.111CC..Hα-helixtrans-61.9-42.7176.2-70.8-179.1178179.53.9111.9H7 W11 V85 H86 L92 L153 Q156H7-R89 PolarHBondContact CD2-NH2 3.49Å; H7-R89 PolarHBondContact CE1-NH2 3.04Å; H7-R89 VanDerWaalsContact CE1-NH2 3.34Å; H7-R89 PolarHBondContact ND1-NH2 3.32Å; H7-R89 PolarHBondContact NE2-NH2 3.22Å; H7-R89 VanDerWaalsContact NE2-NH2 3.14Å; W11-R89 VanDerWaalsContact CD1-CZ 3.41Å; W11-R89 HydrophobicContact CD2-CB 4.28Å; W11-R89 VanDerWaalsContact CD2-CD 3.5Å; W11-R89 HydrophobicContact CD2-CG 3.62Å; W11-R89 HydrophobicContact CE3-CB 3.86Å; W11-R89 HydrophobicContact CE3-CG 3.45Å; W11-R89 VanDerWaalsContact CE3-CG 3.45Å; W11-R89 HydrophobicContact CG-CG 4.19Å; W11-R89 VanDerWaalsContact CG-NE 3.26Å; W11-R89 HydrophobicContact CH2-CB 3.78Å; W11-R89 HydrophobicContact CH2-CG 4.22Å; W11-R89 HydrophobicContact CZ2-CB 4.23Å; W11-R89 HydrophobicContact CZ2-CG 4.39Å; W11-R89 HydrophobicContact CZ3-CB 3.58Å; W11-R89 HydrophobicContact CZ3-CG 3.76Å; V85-R89 HydrophobicContact CG1-CG 4.23Å; V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.24Å; V85-R89 PolarHBondContact O-N 3.34Å; H86-R89 PolarHBondContact O-N 3.21Å; R89-L92 WeakPolarHBondContact O-CB 3.21Å; R89-L92 PolarHBondContact O-N 3.15Å; R89-L153 HydrophobicContact CB-CD2 3.56Å; R89-Q156 PolarHBondContact NH1-O 2.94Å
90F93.9Very high86.8Confident0 Ų030.9 Ų30.90%014%0.142CC..Hα-helixtrans-61.4-50.7179-177.9-94.7000111.7H86 F87 L92 N93 A94 Y99 I105 I109 L149 R152H86-F90 VanDerWaalsContact O-CB 3.29Å; H86-F90 WeakPolarHBondContact O-CB 3.47Å; H86-F90 PolarHBondContact O-N 3.33Å; F87-F90 PolarHBondContact O-N 3.48Å; F90-L92 VanDerWaalsContact C-N 3.29Å; F90-L92 PolarHBondContact O-N 3.42Å; F90-N93 PolarHBondContact O-N 2.95Å; F90-A94 HydrophobicContact CD1-CB 4.45Å; F90-A94 HydrophobicContact CE1-CB 4.22Å; F90-A94 WeakPolarHBondContact O-CB 3.47Å; F90-A94 PolarHBondContact O-N 2.89Å; F90-A94 VanDerWaalsContact O-N 3.09Å; F90-Y99 AromaticContact CE1-CD2 3.59Å; F90-Y99 HydrophobicContact CE1-CD2 3.59Å; F90-Y99 AromaticContact CE1-CE2 3.87Å; F90-Y99 HydrophobicContact CE1-CE2 3.87Å; F90-Y99 HydrophobicContact CE1-CG 4.14Å; F90-Y99 HydrophobicContact CE2-CE2 4.23Å; F90-Y99 HydrophobicContact CZ-CD1 4.42Å; F90-Y99 AromaticContact CZ-CD2 3.48Å; F90-Y99 HydrophobicContact CZ-CD2 3.48Å; F90-Y99 VanDerWaalsContact CZ-CD2 3.48Å; F90-Y99 HydrophobicContact CZ-CE1 4.32Å; F90-Y99 AromaticContact CZ-CE2 3.31Å; F90-Y99 HydrophobicContact CZ-CE2 3.31Å; F90-Y99 HydrophobicContact CZ-CG 4.02Å; F90-Y99 AromaticContact CZ-CZ 3.75Å; F90-I105 HydrophobicContact CD1-CG2 3.87Å; F90-I105 HydrophobicContact CE1-CD1 4.16Å; F90-I105 HydrophobicContact CE1-CG1 4.28Å; F90-I105 HydrophobicContact CE1-CG2 3.78Å; F90-I105 HydrophobicContact CG-CG2 4.45Å; F90-I105 HydrophobicContact CZ-CD1 3.88Å; F90-I105 HydrophobicContact CZ-CG1 4.49Å; F90-I105 HydrophobicContact CZ-CG2 4.3Å; F90-I109 HydrophobicContact CB-CD1 4.3Å; F90-L149 HydrophobicContact CD2-CD2 3.7Å; F90-L149 HydrophobicContact CE2-CD2 3.64Å; F90-L149 HydrophobicContact CG-CD2 4.38Å; F90-L149 HydrophobicContact CZ-CD2 4.27Å; F90-R152 HydrophobicContact CD2-CB 3.86Å; F90-R152 HydrophobicContact CD2-CG 3.79Å; F90-R152 HydrophobicContact CE2-CB 3.84Å; F90-R152 HydrophobicContact CE2-CG 3.82Å
91Y92.1Very high86.2Confident5 Ų533.3 Ų33.32%0.0216%0.156CC..Hα-helixtrans-81.6-0.9-178.7-75.7-65.5000115F87 L96 Y99 A102 I105F87-Y91 HydrophobicContact CD1-CD2 4.26Å; F87-Y91 AromaticContact CD2-CD2 3.97Å; F87-Y91 HydrophobicContact CD2-CD2 3.97Å; F87-Y91 AromaticContact CD2-CE2 3.82Å; F87-Y91 HydrophobicContact CD2-CE2 3.82Å; F87-Y91 AromaticContact CE1-CD2 3.94Å; F87-Y91 HydrophobicContact CE1-CD2 3.94Å; F87-Y91 HydrophobicContact CE1-CE2 4.33Å; F87-Y91 AromaticContact CE2-CD2 3.66Å; F87-Y91 HydrophobicContact CE2-CD2 3.66Å; F87-Y91 AromaticContact CE2-CE2 3.26Å; F87-Y91 HydrophobicContact CE2-CE2 3.26Å; F87-Y91 HydrophobicContact CG-CD2 4.27Å; F87-Y91 AromaticContact CZ-CD2 3.62Å; F87-Y91 HydrophobicContact CZ-CD2 3.62Å; F87-Y91 AromaticContact CZ-CE2 3.54Å; F87-Y91 HydrophobicContact CZ-CE2 3.54Å; F87-Y91 PolarHBondContact O-N 3.2Å; F87-Y91 VanDerWaalsContact O-N 3.12Å; Y91-L96 HydrophobicContact CD1-CD2 3.89Å; Y91-L96 HydrophobicContact CD1-CG 3.68Å; Y91-L96 HydrophobicContact CE1-CB 4.36Å; Y91-L96 HydrophobicContact CE1-CD2 3.5Å; Y91-L96 HydrophobicContact CE1-CG 3.66Å; Y91-L96 HydrophobicContact CE2-CD2 4.45Å; Y91-L96 HydrophobicContact CG-CG 4.49Å; Y91-Y99 PolarHBondContact OH-O 2.88Å; Y91-A102 HydrophobicContact CE2-CB 4.37Å; Y91-A102 VanDerWaalsContact OH-CA 3.24Å; Y91-A102 WeakPolarHBondContact OH-CA 3.41Å; Y91-A102 WeakPolarHBondContact OH-CB 3.49Å; Y91-I105 HydrophobicContact CE2-CG2 3.98Å
92L91.8Very high85.8Confident10 Ų1029.8 Ų29.85%0.05214%0.142CC..Hα-helixtrans-70-40.9165.6-102.7153.5000111.3F13 L19 L22 R23 K88 R89 F90F13-L92 HydrophobicContact CE2-CD1 4.24Å; L19-L92 HydrophobicContact CB-CD2 4.15Å; L19-L92 HydrophobicContact CD2-CD1 3.85Å; L19-L92 HydrophobicContact CD2-CD2 3.58Å; L19-L92 HydrophobicContact CD2-CG 4.3Å; L22-L92 CarbonylContact C-O 3.51Å; L22-L92 HydrophobicContact CB-CD2 3.94Å; L22-L92 HydrophobicContact CD1-CD2 3.97Å; R23-L92 HydrophobicContact CG-CD2 4.36Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 PolarHBondContact O-N 3.05Å; R89-L92 WeakPolarHBondContact O-CB 3.21Å; R89-L92 PolarHBondContact O-N 3.15Å; F90-L92 VanDerWaalsContact C-N 3.29Å; F90-L92 PolarHBondContact O-N 3.42Å
93N86Confident85.5Confident52 Ų5234.9 Ų34.928%0.27816%0.164SC..Hα-helixtrans-106.6-4.4-175.2-66.8-32.6000113.1F90 R152F90-N93 PolarHBondContact O-N 2.95Å; N93-R152 PolarHBondContact O-NH2 2.92Å
94A84.4Confident85.3Confident4 Ų436.8 Ų36.83%0.03317%0.174CC..SBendtrans-122.2133.617800000111F90 Y99F90-A94 HydrophobicContact CD1-CB 4.45Å; F90-A94 HydrophobicContact CE1-CB 4.22Å; F90-A94 WeakPolarHBondContact O-CB 3.47Å; F90-A94 PolarHBondContact O-N 2.89Å; F90-A94 VanDerWaalsContact O-N 3.09Å; A94-Y99 HydrophobicContact CB-CD2 4.22Å; A94-Y99 HydrophobicContact CB-CE2 4.03Å
95S77.5Confident85.1Confident6 Ų635.2 Ų35.24%0.04217%0.167CC..  trans-67.9139.1168.1177.90000110.1E53 L97 R98E53-S95 PolarHBondContact OE1-OG 3.42Å; S95-L97 PolarHBondContact O-N 3.4Å; S95-L97 PolarHBondContact OG-N 3.35Å; S95-R98 WeakPolarHBondContact O-CB 3.36Å; S95-R98 PolarHBondContact O-N 3.32Å; S95-R98 VanDerWaalsContact O-N 3.15Å
96L73.1Confident85.1Confident4 Ų434.4 Ų34.42%0.02116%0.162CC..G310 helixtrans-57.2-36.5173.6-83.9142.4000113E53 F56 R57 Y91 R98 Y99 L100 A102E53-L96 HydrophobicContact CB-CD1 3.5Å; E53-L96 HydrophobicContact CG-CB 4.17Å; E53-L96 HydrophobicContact CG-CD1 3.7Å; E53-L96 VanDerWaalsContact O-CD1 3.25Å; E53-L96 WeakPolarHBondContact O-CD1 3.25Å; F56-L96 HydrophobicContact CD1-CD2 3.94Å; F56-L96 HydrophobicContact CE1-CD2 4.48Å; R57-L96 HydrophobicContact CG-CD1 3.63Å; R57-L96 HydrophobicContact CG-CD2 3.99Å; R57-L96 HydrophobicContact CG-CG 4.25Å; Y91-L96 HydrophobicContact CD1-CD2 3.89Å; Y91-L96 HydrophobicContact CD1-CG 3.68Å; Y91-L96 HydrophobicContact CE1-CB 4.36Å; Y91-L96 HydrophobicContact CE1-CD2 3.5Å; Y91-L96 HydrophobicContact CE1-CG 3.66Å; Y91-L96 HydrophobicContact CE2-CD2 4.45Å; Y91-L96 HydrophobicContact CG-CG 4.49Å; L96-R98 PolarHBondContact O-N 3.43Å; L96-R98 VanDerWaalsContact O-N 3.14Å; L96-Y99 CarbonylContact O-C 3.47Å; L96-Y99 PolarHBondContact O-N 3.07Å; L96-L100 PolarHBondContact O-N 3.44Å; L96-A102 HydrophobicContact CD2-CB 4.1Å
97L67.5Low85Confident23 Ų2335 Ų3512%0.1217%0.166CC..G310 helixtrans-61.7-24.9-179.1-62.1160.9000112.4F30 L47 L48 S95F30-L97 HydrophobicContact CD1-CB 3.75Å; F30-L97 HydrophobicContact CD1-CD1 4.26Å; F30-L97 HydrophobicContact CE1-CB 3.3Å; F30-L97 HydrophobicContact CE1-CD1 4.35Å; F30-L97 HydrophobicContact CE1-CG 4.47Å; F30-L97 HydrophobicContact CZ-CB 4.06Å; L47-L97 HydrophobicContact CB-CD1 4.29Å; L47-L97 HydrophobicContact CD2-CD1 3.44Å; L47-L97 VanDerWaalsContact CD2-CD1 3.44Å; L47-L97 HydrophobicContact CD2-CD2 4.28Å; L47-L97 HydrophobicContact CD2-CG 4.35Å; L47-L97 HydrophobicContact CG-CD1 4.44Å; L48-L97 HydrophobicContact CB-CD2 4.16Å; L48-L97 HydrophobicContact CD1-CD2 4.16Å; L48-L97 HydrophobicContact CG-CD2 4.05Å; S95-L97 PolarHBondContact O-N 3.4Å; S95-L97 PolarHBondContact OG-N 3.35Å
98R64.6Low85Confident121 Ų12135.1 Ų35.146%0.45717%0.167SC..G310 helixtrans-73-31.2174.2-169.8162.5-175.1-104.6-7.8112.9F30 S95 L96F30-R98 HydrophobicContact CD2-CB 3.62Å; F30-R98 HydrophobicContact CD2-CG 4.03Å; F30-R98 VanDerWaalsContact CE2-CA 3.49Å; F30-R98 HydrophobicContact CE2-CB 3.41Å; F30-R98 VanDerWaalsContact CE2-CB 3.41Å; F30-R98 HydrophobicContact CE2-CG 3.71Å; F30-R98 HydrophobicContact CG-CB 4.43Å; F30-R98 HydrophobicContact CZ-CB 4.09Å; S95-R98 WeakPolarHBondContact O-CB 3.36Å; S95-R98 PolarHBondContact O-N 3.32Å; S95-R98 VanDerWaalsContact O-N 3.15Å; L96-R98 PolarHBondContact O-N 3.43Å; L96-R98 VanDerWaalsContact O-N 3.14Å
99Y62.9Low85.2Confident34 Ų3430.6 Ų30.613%0.13315%0.147CC..G310 helixtrans-127.368-177-60.7-74.5000108.3F90 Y91 A94 L96 N101 A102 I105 I148F90-Y99 AromaticContact CE1-CD2 3.59Å; F90-Y99 HydrophobicContact CE1-CD2 3.59Å; F90-Y99 AromaticContact CE1-CE2 3.87Å; F90-Y99 HydrophobicContact CE1-CE2 3.87Å; F90-Y99 HydrophobicContact CE1-CG 4.14Å; F90-Y99 HydrophobicContact CE2-CE2 4.23Å; F90-Y99 HydrophobicContact CZ-CD1 4.42Å; F90-Y99 AromaticContact CZ-CD2 3.48Å; F90-Y99 HydrophobicContact CZ-CD2 3.48Å; F90-Y99 VanDerWaalsContact CZ-CD2 3.48Å; F90-Y99 HydrophobicContact CZ-CE1 4.32Å; F90-Y99 AromaticContact CZ-CE2 3.31Å; F90-Y99 HydrophobicContact CZ-CE2 3.31Å; F90-Y99 HydrophobicContact CZ-CG 4.02Å; F90-Y99 AromaticContact CZ-CZ 3.75Å; Y91-Y99 PolarHBondContact OH-O 2.88Å; A94-Y99 HydrophobicContact CB-CD2 4.22Å; A94-Y99 HydrophobicContact CB-CE2 4.03Å; L96-Y99 CarbonylContact O-C 3.47Å; L96-Y99 PolarHBondContact O-N 3.07Å; Y99-N101 PolarHBondContact O-N 3.37Å; Y99-A102 PolarHBondContact O-N 3.33Å; Y99-I105 HydrophobicContact CD1-CD1 4.06Å; Y99-I105 HydrophobicContact CG-CD1 4.27Å; Y99-I105 HydrophobicContact CG-CG1 4.45Å; Y99-I148 HydrophobicContact CE1-CG2 4.38Å; Y99-I148 WeakPolarHBondContact OH-CG2 3.22Å
100L64.3Low85.3Confident126 Ų12630.3 Ų30.366%0.6615%0.146SC*.SBendtrans-54.6-28.9-175.2-154.175.3000111.8L96 A102L96-L100 PolarHBondContact O-N 3.44Å; L100-A102 VanDerWaalsContact C-N 3.32Å; L100-A102 PolarHBondContact O-N 2.81Å; L100-A102 VanDerWaalsContact O-N 3.15Å
101N83.6Confident85.4Confident80 Ų8031.5 Ų31.543%0.42815%0.151SC..  trans-88.765.9174.5-153.5-28.4000112.5Y99 K103 N104 I105Y99-N101 PolarHBondContact O-N 3.37Å; N101-K103 PolarHBondContact O-N 3.1Å; N101-N104 HydrophobicContact CB-CB 4.06Å; N101-N104 PolarHBondContact ND2-ND2 3.26Å; N101-N104 PolarHBondContact ND2-OD1 3.47Å; N101-N104 WeakPolarHBondContact O-CB 3.37Å; N101-N104 PolarHBondContact O-N 3.05Å; N101-N104 VanDerWaalsContact O-N 3.07Å; N101-N104 PolarHBondContact OD1-N 2.94Å; N101-N104 VanDerWaalsContact OD1-N 3.09Å; N101-N104 PolarHBondContact OD1-OD1 2.84Å; N101-N104 VanDerWaalsContact OD1-OD1 3.11Å; N101-I105 PolarHBondContact O-N 2.93Å; N101-I105 VanDerWaalsContact O-N 3.16Å
102A87.9Confident85.6Confident0 Ų031.6 Ų31.60%015%0.152CC..Hα-helixtrans-61.2-25.4177.100000113.1F56 V60 Y91 L96 Y99 L100 I105 M106F56-A102 HydrophobicContact CD1-CB 4.23Å; F56-A102 HydrophobicContact CE1-CB 3.64Å; V60-A102 HydrophobicContact CG1-CB 4.4Å; V60-A102 HydrophobicContact CG2-CB 3.87Å; Y91-A102 HydrophobicContact CE2-CB 4.37Å; Y91-A102 VanDerWaalsContact OH-CA 3.24Å; Y91-A102 WeakPolarHBondContact OH-CA 3.41Å; Y91-A102 WeakPolarHBondContact OH-CB 3.49Å; L96-A102 HydrophobicContact CD2-CB 4.1Å; Y99-A102 PolarHBondContact O-N 3.33Å; L100-A102 VanDerWaalsContact C-N 3.32Å; L100-A102 PolarHBondContact O-N 2.81Å; L100-A102 VanDerWaalsContact O-N 3.15Å; A102-I105 PolarHBondContact O-N 3.25Å; A102-M106 WeakPolarHBondContact O-CB 3.44Å; A102-M106 PolarHBondContact O-N 3.25Å
103K91.1Very high85.9Confident108 Ų10831.1 Ų31.147%0.4715%0.149SC..Hα-helixtrans-59.7-51.7170.4176.4-175.8170.5-176.50110.7N101 I105 M106 T107 S132N101-K103 PolarHBondContact O-N 3.1Å; K103-I105 VanDerWaalsContact C-N 3.32Å; K103-I105 PolarHBondContact O-N 3.03Å; K103-M106 PolarHBondContact O-N 3.22Å; K103-T107 PolarHBondContact O-N 3.13Å; K103-T107 PolarHBondContact O-OG1 3.5Å; K103-T107 VanDerWaalsContact O-OG1 3.09Å; K103-S132 PolarHBondContact NZ-OG 3.47Å
104N92.9Very high86.3Confident39 Ų3928.7 Ų28.721%0.20914%0.136CC..Hα-helixtrans-60.1-42.6177.9-74.612.2000112.2N101 T107 A108 M141 L145N101-N104 HydrophobicContact CB-CB 4.06Å; N101-N104 PolarHBondContact ND2-ND2 3.26Å; N101-N104 PolarHBondContact ND2-OD1 3.47Å; N101-N104 WeakPolarHBondContact O-CB 3.37Å; N101-N104 PolarHBondContact O-N 3.05Å; N101-N104 VanDerWaalsContact O-N 3.07Å; N101-N104 PolarHBondContact OD1-N 2.94Å; N101-N104 VanDerWaalsContact OD1-N 3.09Å; N101-N104 PolarHBondContact OD1-OD1 2.84Å; N101-N104 VanDerWaalsContact OD1-OD1 3.11Å; N104-T107 PolarHBondContact O-N 3.39Å; N104-A108 WeakPolarHBondContact O-CB 3.44Å; N104-A108 PolarHBondContact O-N 3.36Å; N104-M141 HydrophobicContact CB-CE 3.61Å; N104-M141 HydrophobicContact CB-CG 4.13Å; N104-M141 HydrophobicContact CB-SD 3.46Å; N104-M141 WeakPolarHBondContact CB-SD 3.48Å; N104-M141 WeakPolarHBondContact ND2-CE 3.39Å; N104-M141 WeakPolarHBondContact OD1-CE 3.46Å; N104-L145 HydrophobicContact CB-CD1 4.09Å
105I94.7Very high86.8Confident3 Ų332.4 Ų32.42%0.01515%0.151CC..Hα-helixtrans-58-49.3174-67-65.9000110.8F90 Y91 Y99 N101 A102 K103 T107 A108 I109 L145 L149F90-I105 HydrophobicContact CD1-CG2 3.87Å; F90-I105 HydrophobicContact CE1-CD1 4.16Å; F90-I105 HydrophobicContact CE1-CG1 4.28Å; F90-I105 HydrophobicContact CE1-CG2 3.78Å; F90-I105 HydrophobicContact CG-CG2 4.45Å; F90-I105 HydrophobicContact CZ-CD1 3.88Å; F90-I105 HydrophobicContact CZ-CG1 4.49Å; F90-I105 HydrophobicContact CZ-CG2 4.3Å; Y91-I105 HydrophobicContact CE2-CG2 3.98Å; Y99-I105 HydrophobicContact CD1-CD1 4.06Å; Y99-I105 HydrophobicContact CG-CD1 4.27Å; Y99-I105 HydrophobicContact CG-CG1 4.45Å; N101-I105 PolarHBondContact O-N 2.93Å; N101-I105 VanDerWaalsContact O-N 3.16Å; A102-I105 PolarHBondContact O-N 3.25Å; K103-I105 VanDerWaalsContact C-N 3.32Å; K103-I105 PolarHBondContact O-N 3.03Å; I105-T107 PolarHBondContact O-N 3.45Å; I105-A108 PolarHBondContact O-N 2.88Å; I105-I109 HydrophobicContact CG2-CD1 3.7Å; I105-I109 HydrophobicContact CG2-CG1 4.39Å; I105-I109 WeakPolarHBondContact O-CB 3.35Å; I105-I109 VanDerWaalsContact O-CG1 3.26Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 3.37Å; I105-L145 HydrophobicContact CD1-CD1 4.15Å; I105-L145 HydrophobicContact CD1-CD2 3.71Å; I105-L145 HydrophobicContact CD1-CG 4.49Å; I105-L149 HydrophobicContact CD1-CD2 4.34Å; I105-L149 HydrophobicContact CG2-CD2 4.13Å
106M95.9Very high87.7Confident4 Ų434.1 Ų34.12%0.0216%0.16CC..Hα-helixtrans-63.9-42.7-179.9-172.153.2-177.800111.9V60 A64 A83 F84 F87 A102 K103 A108 I109 I110V60-M106 HydrophobicContact CG1-CB 3.76Å; V60-M106 HydrophobicContact CG1-CG 4.12Å; A64-M106 HydrophobicContact CB-CE 3.46Å; A64-M106 VanDerWaalsContact CB-CE 3.46Å; A64-M106 HydrophobicContact CB-CG 3.43Å; A64-M106 VanDerWaalsContact CB-CG 3.43Å; A64-M106 HydrophobicContact CB-SD 4.27Å; A83-M106 HydrophobicContact CB-CE 4.44Å; F84-M106 HydrophobicContact CD2-CE 3.49Å; F84-M106 VanDerWaalsContact CD2-CE 3.49Å; F84-M106 HydrophobicContact CE1-CE 4.5Å; F84-M106 HydrophobicContact CE2-CE 3.38Å; F84-M106 HydrophobicContact CG-CE 4.14Å; F84-M106 HydrophobicContact CZ-CE 3.92Å; F87-M106 HydrophobicContact CB-SD 3.71Å; F87-M106 HydrophobicContact CD2-CB 3.96Å; F87-M106 HydrophobicContact CD2-CG 4.17Å; F87-M106 HydrophobicContact CD2-SD 3.45Å; F87-M106 WeakPolarHBondContact CD2-SD 3.24Å; F87-M106 HydrophobicContact CE2-CB 3.94Å; F87-M106 HydrophobicContact CE2-CG 4.39Å; F87-M106 HydrophobicContact CE2-SD 4.21Å; F87-M106 HydrophobicContact CG-SD 3.72Å; A102-M106 WeakPolarHBondContact O-CB 3.44Å; A102-M106 PolarHBondContact O-N 3.25Å; K103-M106 PolarHBondContact O-N 3.22Å; M106-A108 PolarHBondContact O-N 3.32Å; M106-I109 PolarHBondContact O-N 2.84Å; M106-I110 HydrophobicContact CE-CD1 4.16Å; M106-I110 HydrophobicContact CE-CG1 4.06Å; M106-I110 HydrophobicContact CG-CD1 4.17Å; M106-I110 VanDerWaalsContact O-CG1 3.27Å; M106-I110 WeakPolarHBondContact O-CG1 3.44Å; M106-I110 PolarHBondContact O-N 3.02Å; M106-I110 HydrophobicContact SD-CG1 4.48Å
107T95.6Very high88.7Confident13 Ų1336.1 Ų36.18%0.0817%0.169CC..Hα-helixtrans-57.8-47.3174.7-63.30000111.9K103 N104 I105 I110 Y111 F126 L130 I142K103-T107 PolarHBondContact O-N 3.13Å; K103-T107 PolarHBondContact O-OG1 3.5Å; K103-T107 VanDerWaalsContact O-OG1 3.09Å; N104-T107 PolarHBondContact O-N 3.39Å; I105-T107 PolarHBondContact O-N 3.45Å; T107-I110 PolarHBondContact O-N 3.3Å; T107-Y111 PolarHBondContact O-N 3.39Å; T107-F126 HydrophobicContact CG2-CE1 3.69Å; T107-F126 HydrophobicContact CG2-CZ 4.18Å; T107-L130 HydrophobicContact CG2-CD1 3.89Å; T107-L130 HydrophobicContact CG2-CD2 3.76Å; T107-L130 HydrophobicContact CG2-CG 4.48Å; T107-I142 HydrophobicContact CG2-CD1 4.27Å; T107-I142 HydrophobicContact CG2-CG1 4.49Å
108A96.3Very high89.9Confident2 Ų242.4 Ų42.42%0.01720%0.203CC..Hα-helixtrans-66.3-36.5177.100000112.4N104 I105 M106 Y111 L112 I142 L145 L149N104-A108 WeakPolarHBondContact O-CB 3.44Å; N104-A108 PolarHBondContact O-N 3.36Å; I105-A108 PolarHBondContact O-N 2.88Å; M106-A108 PolarHBondContact O-N 3.32Å; A108-Y111 PolarHBondContact O-N 3.04Å; A108-L112 WeakPolarHBondContact O-CB 3.3Å; A108-L112 PolarHBondContact O-N 3.32Å; A108-I142 HydrophobicContact CB-CG1 4.46Å; A108-L145 HydrophobicContact CB-CB 3.82Å; A108-L145 HydrophobicContact CB-CD1 3.91Å; A108-L149 HydrophobicContact CB-CD1 3.71Å
109I97.3Very high91.2Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-65.4-39.7174.9-73.1173.2000111.6A83 H86 F87 F90 I105 M106 Y111 L112 A113 L149A83-I109 HydrophobicContact CB-CG2 4.12Å; A83-I109 WeakPolarHBondContact O-CG2 3.45Å; H86-I109 HydrophobicContact CB-CG2 3.69Å; F87-I109 HydrophobicContact CB-CD1 4.22Å; F87-I109 HydrophobicContact CD2-CD1 4.29Å; F90-I109 HydrophobicContact CB-CD1 4.3Å; I105-I109 HydrophobicContact CG2-CD1 3.7Å; I105-I109 HydrophobicContact CG2-CG1 4.39Å; I105-I109 WeakPolarHBondContact O-CB 3.35Å; I105-I109 VanDerWaalsContact O-CG1 3.26Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 3.37Å; M106-I109 PolarHBondContact O-N 2.84Å; I109-Y111 VanDerWaalsContact C-N 3.35Å; I109-L112 PolarHBondContact O-N 3.45Å; I109-A113 VanDerWaalsContact O-CB 3.32Å; I109-A113 WeakPolarHBondContact O-CB 3.27Å; I109-A113 PolarHBondContact O-N 3.39Å; I109-L149 HydrophobicContact CD1-CD2 3.91Å; I109-L149 HydrophobicContact CG1-CD1 3.67Å; I109-L149 HydrophobicContact CG1-CD2 3.66Å; I109-L149 HydrophobicContact CG1-CG 4.25Å
110I97.1Very high92.5Very high2 Ų245.7 Ų45.71%0.0122%0.22CC..Hα-helixtrans-62-45.1176.3-66.9161.3000110.3A64 F67 L75 A83 M106 T107 A113 S114 F126A64-I110 HydrophobicContact CB-CD1 4.24Å; F67-I110 HydrophobicContact CD1-CD1 3.91Å; F67-I110 HydrophobicContact CE1-CD1 4.2Å; F67-I110 HydrophobicContact CE1-CG2 4.37Å; L75-I110 HydrophobicContact CD1-CG2 3.92Å; A83-I110 HydrophobicContact CB-CB 4.45Å; A83-I110 HydrophobicContact CB-CG1 3.9Å; M106-I110 HydrophobicContact CE-CD1 4.16Å; M106-I110 HydrophobicContact CE-CG1 4.06Å; M106-I110 HydrophobicContact CG-CD1 4.17Å; M106-I110 VanDerWaalsContact O-CG1 3.27Å; M106-I110 WeakPolarHBondContact O-CG1 3.44Å; M106-I110 PolarHBondContact O-N 3.02Å; M106-I110 HydrophobicContact SD-CG1 4.48Å; T107-I110 PolarHBondContact O-N 3.3Å; I110-A113 PolarHBondContact O-N 3.18Å; I110-S114 PolarHBondContact O-N 3.46Å; I110-F126 HydrophobicContact CB-CE2 4.47Å; I110-F126 HydrophobicContact CB-CZ 4.17Å; I110-F126 HydrophobicContact CG2-CE2 3.78Å; I110-F126 HydrophobicContact CG2-CZ 3.96Å
111Y96.5Very high93.8Very high26 Ų2640.6 Ų40.610%0.10219%0.193CC..Hα-helixtrans-65.2-39.3175.9-175.7-105.9000112.6T107 A108 I109 A113 S114 K115 I121 I123 F126 I142T107-Y111 PolarHBondContact O-N 3.39Å; A108-Y111 PolarHBondContact O-N 3.04Å; I109-Y111 VanDerWaalsContact C-N 3.35Å; Y111-A113 VanDerWaalsContact C-N 3.34Å; Y111-S114 PolarHBondContact O-N 3.25Å; Y111-S114 PolarHBondContact O-OG 3.34Å; Y111-K115 HydrophobicContact CE1-CD 3.98Å; Y111-K115 PolarHBondContact O-N 3.09Å; Y111-I121 WeakPolarHBondContact CE2-O 3.27Å; Y111-I123 HydrophobicContact CE1-CB 4.48Å; Y111-I123 HydrophobicContact CE1-CD1 4.04Å; Y111-I123 HydrophobicContact CE1-CG1 4.26Å; Y111-I123 HydrophobicContact CE2-CB 4.09Å; Y111-I123 HydrophobicContact CE2-CG1 4.23Å; Y111-F126 HydrophobicContact CD2-CB 3.95Å; Y111-F126 AromaticContact CD2-CD1 3.96Å; Y111-F126 HydrophobicContact CD2-CD1 3.96Å; Y111-F126 HydrophobicContact CD2-CD2 4.19Å; Y111-F126 AromaticContact CD2-CG 3.76Å; Y111-F126 HydrophobicContact CD2-CG 3.76Å; Y111-F126 HydrophobicContact CE2-CB 4.25Å; Y111-F126 HydrophobicContact CG-CD1 4.35Å; Y111-I142 HydrophobicContact CD1-CG2 3.43Å; Y111-I142 VanDerWaalsContact CD1-CG2 3.43Å; Y111-I142 HydrophobicContact CE1-CG2 4.12Å; Y111-I142 HydrophobicContact CG-CG2 3.98Å
112L96.8Very high94.3Very high7 Ų738.6 Ų38.64%0.03719%0.185CC..Hα-helixtrans-63.3-41.5174178.260.2000111.3A108 I109 S114 K115 I116 E146 L149 I150 L153A108-L112 WeakPolarHBondContact O-CB 3.3Å; A108-L112 PolarHBondContact O-N 3.32Å; I109-L112 PolarHBondContact O-N 3.45Å; L112-S114 VanDerWaalsContact C-N 3.34Å; L112-S114 PolarHBondContact O-N 2.87Å; L112-K115 PolarHBondContact O-N 2.86Å; L112-I116 HydrophobicContact CD1-CD1 4.16Å; L112-I116 HydrophobicContact CD1-CG1 4.41Å; L112-I116 HydrophobicContact CD2-CD1 4.46Å; L112-I116 HydrophobicContact CG-CD1 3.81Å; L112-I116 HydrophobicContact CG-CG1 4.5Å; L112-I116 WeakPolarHBondContact O-CG1 3.44Å; L112-I116 PolarHBondContact O-N 3.01Å; L112-E146 HydrophobicContact CD1-CG 4.35Å; L112-L149 HydrophobicContact CD2-CB 4.09Å; L112-L149 HydrophobicContact CD2-CD1 4.49Å; L112-I150 HydrophobicContact CD1-CD1 4.28Å; L112-I150 HydrophobicContact CD1-CG1 4.26Å; L112-I150 HydrophobicContact CD2-CG1 4.09Å; L112-L153 HydrophobicContact CD2-CD1 4.49Å
113A97.1Very high94.7Very high0 Ų039.3 Ų39.30%019%0.188CC..Hα-helixtrans-64.6-37.2177.900000112.1V79 T82 A83 I109 I110 Y111 K115 I116 E117V79-A113 HydrophobicContact CG1-CB 4.21Å; T82-A113 HydrophobicContact CG2-CB 3.99Å; A83-A113 HydrophobicContact CB-CB 3.78Å; I109-A113 VanDerWaalsContact O-CB 3.32Å; I109-A113 WeakPolarHBondContact O-CB 3.27Å; I109-A113 PolarHBondContact O-N 3.39Å; I110-A113 PolarHBondContact O-N 3.18Å; Y111-A113 VanDerWaalsContact C-N 3.34Å; A113-K115 VanDerWaalsContact C-N 3.27Å; A113-K115 PolarHBondContact O-N 3.18Å; A113-I116 PolarHBondContact O-N 2.9Å; A113-E117 WeakPolarHBondContact O-CG 3.4Å; A113-E117 PolarHBondContact O-N 3.23Å
114S95.8Very high94.9Very high1 Ų139.7 Ų39.71%0.00719%0.192CC..Hα-helixtrans-62.3-38.3175.872.20000111.4I110 Y111 L112 D118 S119I110-S114 PolarHBondContact O-N 3.46Å; Y111-S114 PolarHBondContact O-N 3.25Å; Y111-S114 PolarHBondContact O-OG 3.34Å; L112-S114 VanDerWaalsContact C-N 3.34Å; L112-S114 PolarHBondContact O-N 2.87Å; S114-D118 PolarHBondContact O-N 3.33Å; S114-S119 CarbonylContact C-O 3.59Å; S114-S119 CarbonylContact O-C 3.51Å; S114-S119 WeakPolarHBondContact O-CA 3.21Å; S114-S119 PolarHBondContact O-N 2.87Å; S114-S119 VanDerWaalsContact O-O 3.09Å
115K95.2Very high94.9Very high81 Ų8140.7 Ų40.735%0.35220%0.199SC..Hα-helixtrans-69-36.3174.3-66.9-169-68.3-179.60113.8Y111 L112 A113 E146Y111-K115 HydrophobicContact CE1-CD 3.98Å; Y111-K115 PolarHBondContact O-N 3.09Å; L112-K115 PolarHBondContact O-N 2.86Å; A113-K115 VanDerWaalsContact C-N 3.27Å; A113-K115 PolarHBondContact O-N 3.18Å; K115-E146 IonicContact NZ-OE1 3.87Å; K115-E146 PolarHBondContact NZ-OE1 3.01Å; K115-E146 IonicContact NZ-OE2 3.52Å; K115-E146 PolarHBondContact NZ-OE2 3.45Å
116I95.3Very high95Very high42 Ų4240.6 Ų40.622%0.21520%0.199CC..Hα-helixtrans-69.1-37.9179.4-69.4162.6000111.3T82 L112 A113 D118 L157T82-I116 HydrophobicContact CG2-CG2 4.46Å; L112-I116 HydrophobicContact CD1-CD1 4.16Å; L112-I116 HydrophobicContact CD1-CG1 4.41Å; L112-I116 HydrophobicContact CD2-CD1 4.46Å; L112-I116 HydrophobicContact CG-CD1 3.81Å; L112-I116 HydrophobicContact CG-CG1 4.5Å; L112-I116 WeakPolarHBondContact O-CG1 3.44Å; L112-I116 PolarHBondContact O-N 3.01Å; A113-I116 PolarHBondContact O-N 2.9Å; I116-D118 VanDerWaalsContact C-N 3.28Å; I116-D118 PolarHBondContact O-N 2.62Å; I116-L157 HydrophobicContact CD1-CB 3.88Å; I116-L157 HydrophobicContact CD1-CD1 4.29Å; I116-L157 HydrophobicContact CD1-CD2 4.2Å; I116-L157 HydrophobicContact CD1-CG 4.34Å; I116-L157 HydrophobicContact CG1-CB 4.29Å; I116-L157 HydrophobicContact CG1-CD1 4.41Å
117E95Very high94.9Very high47 Ų4740.6 Ų40.622%0.2220%0.199CC..THydrogen-bonded Turntrans-92.219.8-177.9-58.8-64.4152.400112.8R78 V79 T82 A113 S119R78-E117 HydrophobicContact CB-CG 4.46Å; V79-E117 HydrophobicContact CG2-CB 3.81Å; V79-E117 HydrophobicContact CG2-CG 4.24Å; T82-E117 WeakPolarHBondContact CB-OE1 3.32Å; T82-E117 HydrophobicContact CG2-CG 4.34Å; T82-E117 WeakPolarHBondContact CG2-OE1 3.32Å; T82-E117 PolarHBondContact OG1-OE1 3.23Å; A113-E117 WeakPolarHBondContact O-CG 3.4Å; A113-E117 PolarHBondContact O-N 3.23Å; E117-S119 PolarHBondContact O-N 3.38Å
118D92.3Very high94.9Very high154 Ų15444 Ų4482%0.82422%0.223SC*.THydrogen-bonded Turntrans52.827.3179.8-62.7-42.6000114.9S114 I116 Y120S114-D118 PolarHBondContact O-N 3.33Å; I116-D118 VanDerWaalsContact C-N 3.28Å; I116-D118 PolarHBondContact O-N 2.62Å; D118-Y120 PolarHBondContact O-N 3.4Å
119S91Very high94.7Very high24 Ų2447.4 Ų47.417%0.16824%0.238CC..  trans-8997.4172.7-174.60000109.4S114 E117 I121S114-S119 CarbonylContact C-O 3.59Å; S114-S119 CarbonylContact O-C 3.51Å; S114-S119 WeakPolarHBondContact O-CA 3.21Å; S114-S119 PolarHBondContact O-N 2.87Å; S114-S119 VanDerWaalsContact O-O 3.09Å; E117-S119 PolarHBondContact O-N 3.38Å; S119-I121 PolarHBondContact O-N 3.37Å
120Y89.8Confident94.5Very high200 Ų20048.8 Ų48.878%0.78425%0.245SC*.  trans-67.9114.7-178.1-178.6-102.3000111.6D118 P122D118-Y120 PolarHBondContact O-N 3.4Å; Y120-P122 HydrophobicContact CE1-CG 3.76Å
121I92.9Very high94.1Very high19 Ų1958 Ų5810%0.09729%0.285CS..  trans-135.8114.8173.8-51.8174.2000107.4F71 L75 Y111 S119 F126F71-I121 HydrophobicContact CE1-CD1 4.01Å; F71-I121 HydrophobicContact CE1-CG2 4.42Å; F71-I121 HydrophobicContact CZ-CD1 4.27Å; F71-I121 HydrophobicContact CZ-CG2 4.08Å; L75-I121 HydrophobicContact CD2-CD1 3.36Å; Y111-I121 WeakPolarHBondContact CE2-O 3.27Å; S119-I121 PolarHBondContact O-N 3.37Å; I121-F126 HydrophobicContact CG2-CB 3.87Å; I121-F126 HydrophobicContact CG2-CD2 4.49Å
122P94.4Very high93.7Very high39 Ų3959.3 Ų59.325%0.25330%0.298SS..  trans-56.6141.1171.9-22.632.4000110.7Y120 E124 T125 F126Y120-P122 HydrophobicContact CE1-CG 3.76Å; P122-E124 PolarHBondContact O-N 2.97Å; P122-T125 WeakPolarHBondContact O-CB 3.39Å; P122-T125 PolarHBondContact O-N 3.12Å; P122-T125 VanDerWaalsContact O-N 3.09Å; P122-F126 PolarHBondContact O-N 3.33Å
123I95.5Very high93.4Very high14 Ų1462 Ų627%0.07233%0.327CS..Hα-helixtrans-63.2-33.6-175.1-167166.1000111.5Y111 F126 V127 V139 I142 R143Y111-I123 HydrophobicContact CE1-CB 4.48Å; Y111-I123 HydrophobicContact CE1-CD1 4.04Å; Y111-I123 HydrophobicContact CE1-CG1 4.26Å; Y111-I123 HydrophobicContact CE2-CB 4.09Å; Y111-I123 HydrophobicContact CE2-CG1 4.23Å; I123-F126 PolarHBondContact O-N 2.94Å; I123-V127 HydrophobicContact CG1-CG2 4.33Å; I123-V127 WeakPolarHBondContact O-CB 3.46Å; I123-V127 VanDerWaalsContact O-CG2 3.27Å; I123-V127 WeakPolarHBondContact O-CG2 3.37Å; I123-V127 PolarHBondContact O-N 3.45Å; I123-V139 HydrophobicContact CD1-CG1 4.08Å; I123-V139 HydrophobicContact CG1-CG2 4.3Å; I123-V139 HydrophobicContact CG2-CG1 4.46Å; I123-I142 HydrophobicContact CD1-CB 4.2Å; I123-I142 HydrophobicContact CD1-CG2 3.92Å; I123-R143 HydrophobicContact CD1-CG 4.2Å
124E95.1Very high93.2Very high116 Ų11671 Ų7154%0.54236%0.361SS..Hα-helixtrans-64.9-42.2176.1-59.873.5-159.500110.8P122 V127 S128P122-E124 PolarHBondContact O-N 2.97Å; E124-V127 PolarHBondContact O-N 3.17Å; E124-S128 WeakPolarHBondContact O-CB 3.45Å; E124-S128 PolarHBondContact O-N 3.47Å
125T94Very high93.1Very high61 Ų6175 Ų7537%0.37439%0.387SS..Hα-helixtrans-67-39.8174.8-52.50000111.5P122 S128 K129P122-T125 WeakPolarHBondContact O-CB 3.39Å; P122-T125 PolarHBondContact O-N 3.12Å; P122-T125 VanDerWaalsContact O-N 3.09Å; T125-S128 PolarHBondContact O-OG 3.38Å; T125-K129 WeakPolarHBondContact O-CG 3.41Å
126F95.4Very high93.1Very high0 Ų078.9 Ų78.90%041%0.406CS..Hα-helixtrans-64.2-46.3176.5-178.6-98.1000111.4F67 F71 T107 I110 Y111 I121 P122 I123 S128 K129 I142F67-F126 AromaticContact CE1-CE2 3.93Å; F67-F126 HydrophobicContact CE1-CE2 3.93Å; F67-F126 AromaticContact CE1-CZ 3.92Å; F67-F126 HydrophobicContact CE1-CZ 3.92Å; F67-F126 HydrophobicContact CZ-CE2 4.02Å; F67-F126 HydrophobicContact CZ-CZ 4.05Å; F71-F126 AromaticContact CE2-CD2 3.7Å; F71-F126 HydrophobicContact CE2-CD2 3.7Å; F71-F126 HydrophobicContact CE2-CE2 4.06Å; F71-F126 AromaticContact CZ-CD2 3.85Å; F71-F126 HydrophobicContact CZ-CD2 3.85Å; T107-F126 HydrophobicContact CG2-CE1 3.69Å; T107-F126 HydrophobicContact CG2-CZ 4.18Å; I110-F126 HydrophobicContact CB-CE2 4.47Å; I110-F126 HydrophobicContact CB-CZ 4.17Å; I110-F126 HydrophobicContact CG2-CE2 3.78Å; I110-F126 HydrophobicContact CG2-CZ 3.96Å; Y111-F126 HydrophobicContact CD2-CB 3.95Å; Y111-F126 AromaticContact CD2-CD1 3.96Å; Y111-F126 HydrophobicContact CD2-CD1 3.96Å; Y111-F126 HydrophobicContact CD2-CD2 4.19Å; Y111-F126 AromaticContact CD2-CG 3.76Å; Y111-F126 HydrophobicContact CD2-CG 3.76Å; Y111-F126 HydrophobicContact CE2-CB 4.25Å; Y111-F126 HydrophobicContact CG-CD1 4.35Å; I121-F126 HydrophobicContact CG2-CB 3.87Å; I121-F126 HydrophobicContact CG2-CD2 4.49Å; P122-F126 PolarHBondContact O-N 3.33Å; I123-F126 PolarHBondContact O-N 2.94Å; F126-S128 VanDerWaalsContact C-N 3.34Å; F126-S128 PolarHBondContact O-N 3.43Å; F126-K129 PolarHBondContact O-N 2.89Å; F126-I142 HydrophobicContact CD1-CD1 3.78Å; F126-I142 HydrophobicContact CE1-CD1 3.82Å
127V95.4Very high93.1Very high4 Ų481.4 Ų81.42%0.02442%0.421CS..Hα-helixtrans-68.6-32.6-178.8168.60000112.1I123 E124 K129 L130 P135 N138 V139 I142I123-V127 HydrophobicContact CG1-CG2 4.33Å; I123-V127 WeakPolarHBondContact O-CB 3.46Å; I123-V127 VanDerWaalsContact O-CG2 3.27Å; I123-V127 WeakPolarHBondContact O-CG2 3.37Å; I123-V127 PolarHBondContact O-N 3.45Å; E124-V127 PolarHBondContact O-N 3.17Å; V127-K129 PolarHBondContact O-N 3.21Å; V127-L130 HydrophobicContact CB-CD1 4.47Å; V127-L130 HydrophobicContact CG1-CD1 4.41Å; V127-L130 HydrophobicContact CG2-CD1 4.3Å; V127-L130 WeakPolarHBondContact O-CB 3.16Å; V127-L130 PolarHBondContact O-N 3.01Å; V127-P135 HydrophobicContact CG1-CB 3.95Å; V127-P135 WeakPolarHBondContact CG1-O 3.26Å; V127-N138 HydrophobicContact CB-CB 4.43Å; V127-N138 HydrophobicContact CG1-CB 3.53Å; V127-N138 HydrophobicContact CG2-CB 4Å; V127-V139 HydrophobicContact CB-CG2 4.35Å; V127-V139 HydrophobicContact CG1-CG2 4.47Å; V127-V139 HydrophobicContact CG2-CG2 3.88Å; V127-I142 HydrophobicContact CG2-CD1 3.74Å
128S93.7Very high93.1Very high84 Ų8480 Ų8059%0.58742%0.415SS*.Hα-helixtrans-64.3-19.7176.174.60000113.5E124 T125 F126 L130E124-S128 WeakPolarHBondContact O-CB 3.45Å; E124-S128 PolarHBondContact O-N 3.47Å; T125-S128 PolarHBondContact O-OG 3.38Å; F126-S128 VanDerWaalsContact C-N 3.34Å; F126-S128 PolarHBondContact O-N 3.43Å; S128-L130 VanDerWaalsContact C-N 3.35Å
129K93.5Very high93.3Very high74 Ų7473.6 Ų73.632%0.32238%0.381SS..THydrogen-bonded Turntrans-83.1-9.8173.7-57-59.9-175.81680113.3F67 F71 E72 T125 F126 V127F67-K129 HydrophobicContact CE2-CB 4.22Å; F71-K129 HydrophobicContact CD2-CB 3.94Å; F71-K129 HydrophobicContact CD2-CG 3.98Å; F71-K129 HydrophobicContact CE2-CB 3.65Å; F71-K129 HydrophobicContact CE2-CG 3.55Å; F71-K129 HydrophobicContact CZ-CB 4.49Å; F71-K129 HydrophobicContact CZ-CG 3.92Å; E72-K129 WeakPolarHBondContact O-CE 3.44Å; E72-K129 PolarHBondContact O-NZ 2.9Å; T125-K129 WeakPolarHBondContact O-CG 3.41Å; F126-K129 PolarHBondContact O-N 2.89Å; V127-K129 PolarHBondContact O-N 3.21Å
130L92.9Very high93.6Very high30 Ų3074.6 Ų74.616%0.15739%0.39CS..  trans-76.4129.4177.1-60175.1000110.3F67 T107 V127 S128 S132 N138F67-L130 HydrophobicContact CE2-CD2 3.74Å; F67-L130 HydrophobicContact CZ-CD2 3.79Å; T107-L130 HydrophobicContact CG2-CD1 3.89Å; T107-L130 HydrophobicContact CG2-CD2 3.76Å; T107-L130 HydrophobicContact CG2-CG 4.48Å; V127-L130 HydrophobicContact CB-CD1 4.47Å; V127-L130 HydrophobicContact CG1-CD1 4.41Å; V127-L130 HydrophobicContact CG2-CD1 4.3Å; V127-L130 WeakPolarHBondContact O-CB 3.16Å; V127-L130 PolarHBondContact O-N 3.01Å; S128-L130 VanDerWaalsContact C-N 3.35Å; L130-S132 PolarHBondContact O-N 3.27Å; L130-N138 HydrophobicContact CD1-CB 4.01Å
131K88.3Confident93.9Very high196 Ų19666.4 Ų66.485%0.85236%0.36SS*.SBendtrans-76.2-0.9-177.8-59.4-174.6179.9-175.80114.6
132S89.4Confident94Very high53 Ų5365.5 Ų65.537%0.37136%0.355SS..SBendtrans-153.9148.9-168.9630000112.1K103 L130 N138K103-S132 PolarHBondContact NZ-OG 3.47Å; L130-S132 PolarHBondContact O-N 3.27Å; S132-N138 PolarHBondContact O-ND2 3.06Å
133G89.7Confident94.1Very high63 Ų6370.5 Ų70.565%0.64937%0.369SS*.SBendtrans87.9159.4-179.900000111.9
134R93.1Very high94.1Very high189 Ų18975.2 Ų75.271%0.71339%0.394SS*.  trans-75.6142.4174.5-62.9178.6173.7179.1-2.1109.2E136 D137 N138R134-E136 VanDerWaalsContact C-N 3.3Å; R134-E136 PolarHBondContact O-N 3.11Å; R134-D137 HydrophobicContact CB-CB 4.35Å; R134-D137 WeakPolarHBondContact CB-OD2 3.34Å; R134-D137 PolarHBondContact O-N 3.04Å; R134-N138 PolarHBondContact O-N 2.76Å; R134-N138 PolarHBondContact O-ND2 3.14Å
135P93.6Very high94.1Very high85 Ų8570.9 Ų70.955%0.55237%0.374SS*.Hα-helixtrans-54.4-44.5-180-28.635.5000113.3V127 D137 N138 V139V127-P135 HydrophobicContact CG1-CB 3.95Å; V127-P135 WeakPolarHBondContact CG1-O 3.26Å; P135-D137 PolarHBondContact O-N 2.72Å; P135-N138 PolarHBondContact O-N 3.23Å; P135-V139 WeakPolarHBondContact O-CG2 3.17Å; P135-V139 PolarHBondContact O-N 3.23Å
136E94.8Very high94.1Very high162 Ų16270.2 Ų70.276%0.75737%0.367SS*.Hα-helixtrans-61.6-44.4-179.4-60.2178.6-159.800112.4R134 N138 V139 A140R134-E136 VanDerWaalsContact C-N 3.3Å; R134-E136 PolarHBondContact O-N 3.11Å; E136-N138 VanDerWaalsContact C-N 3.34Å; E136-N138 PolarHBondContact O-N 3.09Å; E136-V139 PolarHBondContact O-N 3.19Å; E136-A140 PolarHBondContact O-N 2.94Å
137D95.2Very high94.1Very high96 Ų9674 Ų7451%0.51339%0.392SS..Hα-helixtrans-64.3-40.2177.5-63.8-27.2000111.4R134 P135 A140 M141R134-D137 HydrophobicContact CB-CB 4.35Å; R134-D137 WeakPolarHBondContact CB-OD2 3.34Å; R134-D137 PolarHBondContact O-N 3.04Å; P135-D137 PolarHBondContact O-N 2.72Å; D137-A140 PolarHBondContact O-N 3.48Å; D137-M141 WeakPolarHBondContact O-CB 3.27Å; D137-M141 PolarHBondContact O-N 2.71Å
138N95.6Very high94Very high18 Ų1877.1 Ų77.110%0.09641%0.408CS..Hα-helixtrans-67.1-40.1178-76.5-26.3000111.5V127 L130 S132 R134 P135 E136 M141 I142V127-N138 HydrophobicContact CB-CB 4.43Å; V127-N138 HydrophobicContact CG1-CB 3.53Å; V127-N138 HydrophobicContact CG2-CB 4Å; L130-N138 HydrophobicContact CD1-CB 4.01Å; S132-N138 PolarHBondContact O-ND2 3.06Å; R134-N138 PolarHBondContact O-N 2.76Å; R134-N138 PolarHBondContact O-ND2 3.14Å; P135-N138 PolarHBondContact O-N 3.23Å; E136-N138 VanDerWaalsContact C-N 3.34Å; E136-N138 PolarHBondContact O-N 3.09Å; N138-M141 PolarHBondContact O-N 2.89Å; N138-I142 VanDerWaalsContact O-CG1 3.3Å; N138-I142 WeakPolarHBondContact O-CG1 3.39Å; N138-I142 PolarHBondContact O-N 3.19Å
139V97.1Very high94Very high19 Ų1973.2 Ų73.212%0.11538%0.38CS..Hα-helixtrans-61.3-49.1173.6169.80000110.3I123 V127 P135 E136 M141 I142 R143I123-V139 HydrophobicContact CD1-CG1 4.08Å; I123-V139 HydrophobicContact CG1-CG2 4.3Å; I123-V139 HydrophobicContact CG2-CG1 4.46Å; V127-V139 HydrophobicContact CB-CG2 4.35Å; V127-V139 HydrophobicContact CG1-CG2 4.47Å; V127-V139 HydrophobicContact CG2-CG2 3.88Å; P135-V139 WeakPolarHBondContact O-CG2 3.17Å; P135-V139 PolarHBondContact O-N 3.23Å; E136-V139 PolarHBondContact O-N 3.19Å; V139-M141 VanDerWaalsContact C-N 3.31Å; V139-M141 PolarHBondContact O-N 3.42Å; V139-I142 PolarHBondContact O-N 3.4Å; V139-R143 WeakPolarHBondContact O-CB 3.46Å; V139-R143 WeakPolarHBondContact O-CG 3.21Å; V139-R143 PolarHBondContact O-N 3.09Å
140A96.2Very high94.1Very high44 Ų4471.8 Ų71.836%0.36438%0.375SS..Hα-helixtrans-61.3-41.2177.800000111.7E136 D137 R143 N144E136-A140 PolarHBondContact O-N 2.94Å; D137-A140 PolarHBondContact O-N 3.48Å; A140-R143 PolarHBondContact O-N 3.49Å; A140-N144 VanDerWaalsContact O-CB 3.31Å; A140-N144 WeakPolarHBondContact O-CB 3.32Å; A140-N144 PolarHBondContact O-N 3.2Å; A140-N144 PolarHBondContact O-ND2 3.28Å
141M95.4Very high94.2Very high28 Ų2878.7 Ų78.714%0.13840%0.404CS..Hα-helixtrans-60.6-49.3176.9178.4-103-7700112N104 D137 N138 V139 R143 N144 L145N104-M141 HydrophobicContact CB-CE 3.61Å; N104-M141 HydrophobicContact CB-CG 4.13Å; N104-M141 HydrophobicContact CB-SD 3.46Å; N104-M141 WeakPolarHBondContact CB-SD 3.48Å; N104-M141 WeakPolarHBondContact ND2-CE 3.39Å; N104-M141 WeakPolarHBondContact OD1-CE 3.46Å; D137-M141 WeakPolarHBondContact O-CB 3.27Å; D137-M141 PolarHBondContact O-N 2.71Å; N138-M141 PolarHBondContact O-N 2.89Å; V139-M141 VanDerWaalsContact C-N 3.31Å; V139-M141 PolarHBondContact O-N 3.42Å; M141-R143 PolarHBondContact O-N 3.24Å; M141-N144 PolarHBondContact O-N 2.78Å; M141-L145 HydrophobicContact CG-CD1 3.91Å; M141-L145 WeakPolarHBondContact O-CB 3.35Å; M141-L145 VanDerWaalsContact O-CG 3.28Å; M141-L145 WeakPolarHBondContact O-CG 3.4Å; M141-L145 PolarHBondContact O-N 3.23Å; M141-L145 HydrophobicContact SD-CD1 3.62Å
142I96.3Very high94.3Very high1 Ų174 Ų741%0.00538%0.381CS..Hα-helixtrans-61.4-46.8178.2-68.7167.9000110.3T107 A108 Y111 I123 F126 V127 N138 V139 N144 L145 E146T107-I142 HydrophobicContact CG2-CD1 4.27Å; T107-I142 HydrophobicContact CG2-CG1 4.49Å; A108-I142 HydrophobicContact CB-CG1 4.46Å; Y111-I142 HydrophobicContact CD1-CG2 3.43Å; Y111-I142 VanDerWaalsContact CD1-CG2 3.43Å; Y111-I142 HydrophobicContact CE1-CG2 4.12Å; Y111-I142 HydrophobicContact CG-CG2 3.98Å; I123-I142 HydrophobicContact CD1-CB 4.2Å; I123-I142 HydrophobicContact CD1-CG2 3.92Å; F126-I142 HydrophobicContact CD1-CD1 3.78Å; F126-I142 HydrophobicContact CE1-CD1 3.82Å; V127-I142 HydrophobicContact CG2-CD1 3.74Å; N138-I142 VanDerWaalsContact O-CG1 3.3Å; N138-I142 WeakPolarHBondContact O-CG1 3.39Å; N138-I142 PolarHBondContact O-N 3.19Å; V139-I142 PolarHBondContact O-N 3.4Å; I142-N144 PolarHBondContact O-N 3.21Å; I142-L145 PolarHBondContact O-N 3.47Å; I142-E146 WeakPolarHBondContact O-CB 3.33Å; I142-E146 PolarHBondContact O-N 2.99Å
143R95.9Very high94.5Very high144 Ų14471.5 Ų71.554%0.54336%0.364SS..Hα-helixtrans-61.1-40.9179.1-73.6178.6-179.4169.63.5112.8I123 V139 A140 M141 P147I123-R143 HydrophobicContact CD1-CG 4.2Å; V139-R143 WeakPolarHBondContact O-CB 3.46Å; V139-R143 WeakPolarHBondContact O-CG 3.21Å; V139-R143 PolarHBondContact O-N 3.09Å; A140-R143 PolarHBondContact O-N 3.49Å; M141-R143 PolarHBondContact O-N 3.24Å; R143-P147 WeakPolarHBondContact O-CD 3.22Å
144N95.6Very high94.7Very high113 Ų11372.1 Ų72.160%0.60436%0.357SS*.Hα-helixtrans-71.9-34.7179.3-72.6-23.3000112.5A140 M141 I142 I148A140-N144 VanDerWaalsContact O-CB 3.31Å; A140-N144 WeakPolarHBondContact O-CB 3.32Å; A140-N144 PolarHBondContact O-N 3.2Å; A140-N144 PolarHBondContact O-ND2 3.28Å; M141-N144 PolarHBondContact O-N 2.78Å; I142-N144 PolarHBondContact O-N 3.21Å; N144-I148 WeakPolarHBondContact O-CD1 3.4Å
145L94.8Very high94.8Very high24 Ų2467.3 Ų67.313%0.12635%0.352CS..Hα-helixtrans-77.3-33.9-179.9-73.1177.1000112.8N104 I105 A108 M141 I142 I148 L149N104-L145 HydrophobicContact CB-CD1 4.09Å; I105-L145 HydrophobicContact CD1-CD1 4.15Å; I105-L145 HydrophobicContact CD1-CD2 3.71Å; I105-L145 HydrophobicContact CD1-CG 4.49Å; A108-L145 HydrophobicContact CB-CB 3.82Å; A108-L145 HydrophobicContact CB-CD1 3.91Å; M141-L145 HydrophobicContact CG-CD1 3.91Å; M141-L145 WeakPolarHBondContact O-CB 3.35Å; M141-L145 VanDerWaalsContact O-CG 3.28Å; M141-L145 WeakPolarHBondContact O-CG 3.4Å; M141-L145 PolarHBondContact O-N 3.23Å; M141-L145 HydrophobicContact SD-CD1 3.62Å; I142-L145 PolarHBondContact O-N 3.47Å; L145-I148 WeakPolarHBondContact O-CA 3.39Å; L145-I148 WeakPolarHBondContact O-CB 3.47Å; L145-I148 PolarHBondContact O-N 2.89Å; L145-L149 HydrophobicContact CB-CD1 4.45Å; L145-L149 WeakPolarHBondContact O-CG 3.24Å; L145-L149 PolarHBondContact O-N 3.41Å
146E94.7Very high94.8Very high47 Ų4764.5 Ų64.522%0.2233%0.332CS..Hα-helixtrans-49.6-55.2-176.6-179.2175.4163.500115L112 K115 I142 I148 L149 I150L112-E146 HydrophobicContact CD1-CG 4.35Å; K115-E146 IonicContact NZ-OE1 3.87Å; K115-E146 PolarHBondContact NZ-OE1 3.01Å; K115-E146 IonicContact NZ-OE2 3.52Å; K115-E146 PolarHBondContact NZ-OE2 3.45Å; I142-E146 WeakPolarHBondContact O-CB 3.33Å; I142-E146 PolarHBondContact O-N 2.99Å; E146-I148 PolarHBondContact O-N 2.98Å; E146-L149 WeakPolarHBondContact O-CB 3.42Å; E146-L149 PolarHBondContact O-N 3.22Å; E146-L149 VanDerWaalsContact O-N 3.16Å; E146-I150 HydrophobicContact CG-CD1 4.02Å; E146-I150 WeakPolarHBondContact O-CG1 3.1Å; E146-I150 PolarHBondContact O-N 2.87Å
147P95.3Very high94.9Very high80 Ų8058.8 Ų58.852%0.51931%0.307SS..Hα-helixtrans-64.1-31179.324.5-33.8000112.3R143 K151R143-P147 WeakPolarHBondContact O-CD 3.22Å; P147-K151 WeakPolarHBondContact O-CB 3.42Å; P147-K151 PolarHBondContact O-N 3.39Å; P147-K151 VanDerWaalsContact O-N 3.08Å
148I92.8Very high94.8Very high70 Ų7058.3 Ų58.336%0.35931%0.307SS..Hα-helixtrans-67.5-43176.3-58.3173.4000110.3Y99 N144 L145 E146 R152Y99-I148 HydrophobicContact CE1-CG2 4.38Å; Y99-I148 WeakPolarHBondContact OH-CG2 3.22Å; N144-I148 WeakPolarHBondContact O-CD1 3.4Å; L145-I148 WeakPolarHBondContact O-CA 3.39Å; L145-I148 WeakPolarHBondContact O-CB 3.47Å; L145-I148 PolarHBondContact O-N 2.89Å; E146-I148 PolarHBondContact O-N 2.98Å; I148-R152 WeakPolarHBondContact O-CB 3.23Å; I148-R152 PolarHBondContact O-N 3.23Å
149L94.5Very high94.8Very high1 Ų157.9 Ų57.91%0.00531%0.305CS..Hα-helixtrans-62.2-51.4177.7-68.3172.8000110.8F90 I105 A108 I109 L112 L145 E146 K151 R152 L153F90-L149 HydrophobicContact CD2-CD2 3.7Å; F90-L149 HydrophobicContact CE2-CD2 3.64Å; F90-L149 HydrophobicContact CG-CD2 4.38Å; F90-L149 HydrophobicContact CZ-CD2 4.27Å; I105-L149 HydrophobicContact CD1-CD2 4.34Å; I105-L149 HydrophobicContact CG2-CD2 4.13Å; A108-L149 HydrophobicContact CB-CD1 3.71Å; I109-L149 HydrophobicContact CD1-CD2 3.91Å; I109-L149 HydrophobicContact CG1-CD1 3.67Å; I109-L149 HydrophobicContact CG1-CD2 3.66Å; I109-L149 HydrophobicContact CG1-CG 4.25Å; L112-L149 HydrophobicContact CD2-CB 4.09Å; L112-L149 HydrophobicContact CD2-CD1 4.49Å; L145-L149 HydrophobicContact CB-CD1 4.45Å; L145-L149 WeakPolarHBondContact O-CG 3.24Å; L145-L149 PolarHBondContact O-N 3.41Å; E146-L149 WeakPolarHBondContact O-CB 3.42Å; E146-L149 PolarHBondContact O-N 3.22Å; E146-L149 VanDerWaalsContact O-N 3.16Å; L149-K151 VanDerWaalsContact C-N 3.32Å; L149-K151 PolarHBondContact O-N 3.36Å; L149-R152 PolarHBondContact O-N 3.49Å; L149-R152 VanDerWaalsContact O-N 3.08Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 VanDerWaalsContact O-CG 3.28Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 2.99Å
150I95.8Very high94.7Very high44 Ų4459.8 Ų59.823%0.22631%0.312CS..Hα-helixtrans-57.9-46.6179.9-65.9169.2000110.6L112 E146 R152 L153 C154 S155 L157L112-I150 HydrophobicContact CD1-CD1 4.28Å; L112-I150 HydrophobicContact CD1-CG1 4.26Å; L112-I150 HydrophobicContact CD2-CG1 4.09Å; E146-I150 HydrophobicContact CG-CD1 4.02Å; E146-I150 WeakPolarHBondContact O-CG1 3.1Å; E146-I150 PolarHBondContact O-N 2.87Å; I150-R152 VanDerWaalsContact C-N 3.33Å; I150-R152 PolarHBondContact O-N 3.13Å; I150-L153 CarbonylContact O-C 3.6Å; I150-L153 PolarHBondContact O-N 3.22Å; I150-C154 PolarHBondContact O-N 2.92Å; I150-S155 PolarHBondContact O-N 3.43Å; I150-L157 HydrophobicContact CG1-CD2 4.47Å
151K93.9Very high94.6Very high175 Ų17558.5 Ų58.576%0.76130%0.299SS*.Hα-helixtrans-60.7-41.8176.7-176.7173.8-177.9172.10111.9P147 L149 L153 C154P147-K151 WeakPolarHBondContact O-CB 3.42Å; P147-K151 PolarHBondContact O-N 3.39Å; P147-K151 VanDerWaalsContact O-N 3.08Å; L149-K151 VanDerWaalsContact C-N 3.32Å; L149-K151 PolarHBondContact O-N 3.36Å; K151-L153 VanDerWaalsContact C-N 3.34Å; K151-C154 PolarHBondContact O-N 2.92Å; K151-C154 VanDerWaalsContact O-N 3.17Å
152R91.3Very high94.5Very high98 Ų9860.1 Ų60.137%0.3731%0.311SS..Hα-helixtrans-75-25.4-177.8-161.956.2167-171.52.6113.3F90 N93 I148 L149 I150 C154F90-R152 HydrophobicContact CD2-CB 3.86Å; F90-R152 HydrophobicContact CD2-CG 3.79Å; F90-R152 HydrophobicContact CE2-CB 3.84Å; F90-R152 HydrophobicContact CE2-CG 3.82Å; N93-R152 PolarHBondContact O-NH2 2.92Å; I148-R152 WeakPolarHBondContact O-CB 3.23Å; I148-R152 PolarHBondContact O-N 3.23Å; L149-R152 PolarHBondContact O-N 3.49Å; L149-R152 VanDerWaalsContact O-N 3.08Å; I150-R152 VanDerWaalsContact C-N 3.33Å; I150-R152 PolarHBondContact O-N 3.13Å; R152-C154 PolarHBondContact O-N 3.46Å
153L93.8Very high94.3Very high0 Ų063 Ų630%032%0.324CS..THydrogen-bonded Turntrans-82.76.3170.7-65169.7000112.5H86 R89 L112 L149 I150 K151 S155 Q156 L157H86-L153 HydrophobicContact CB-CD1 4.03Å; H86-L153 HydrophobicContact CB-CD2 4.37Å; R89-L153 HydrophobicContact CB-CD2 3.56Å; L112-L153 HydrophobicContact CD2-CD1 4.49Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 VanDerWaalsContact O-CG 3.28Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 2.99Å; I150-L153 CarbonylContact O-C 3.6Å; I150-L153 PolarHBondContact O-N 3.22Å; K151-L153 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 3Å; L153-S155 VanDerWaalsContact O-N 3.13Å; L153-Q156 WeakPolarHBondContact O-CB 3.34Å; L153-Q156 PolarHBondContact O-N 3.15Å; L153-L157 HydrophobicContact CB-CD2 4.38Å; L153-L157 HydrophobicContact CD1-CD2 4.18Å
154C94Very high93.9Very high77 Ų7759.4 Ų59.452%0.5232%0.318SS..THydrogen-bonded Turntrans54.629.9-179.5-570000113.3I150 K151 R152 Q156I150-C154 PolarHBondContact O-N 2.92Å; K151-C154 PolarHBondContact O-N 2.92Å; K151-C154 VanDerWaalsContact O-N 3.17Å; R152-C154 PolarHBondContact O-N 3.46Å; C154-Q156 HydrophobicContact CB-CG 4.38Å; C154-Q156 PolarHBondContact O-N 3.47Å; C154-Q156 VanDerWaalsContact O-N 3.1Å
155S93.5Very high93.8Very high87 Ų8757.9 Ų57.961%0.60832%0.315SS*.THydrogen-bonded Turntrans56.120.7-173.3-52.40000114.6I150 L153 L157I150-S155 PolarHBondContact O-N 3.43Å; L153-S155 PolarHBondContact O-N 3Å; L153-S155 VanDerWaalsContact O-N 3.13Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 3.46Å; S155-L157 VanDerWaalsContact O-N 3.15Å
156Q95.5Very high93.8Very high26 Ų2662.2 Ų62.212%0.12134%0.337CS..  trans-91.366177.3-64.4169.32.100109.5T6 R89 L153 C154T6-Q156 HydrophobicContact CG2-CG 4.41Å; R89-Q156 PolarHBondContact NH1-O 2.94Å; L153-Q156 WeakPolarHBondContact O-CB 3.34Å; L153-Q156 PolarHBondContact O-N 3.15Å; C154-Q156 HydrophobicContact CB-CG 4.38Å; C154-Q156 PolarHBondContact O-N 3.47Å; C154-Q156 VanDerWaalsContact O-N 3.1Å
157L95.1Very high93.7Very high43 Ų4365.3 Ų65.323%0.22535%0.352CS..  trans-80.5-26.9-168.5-59-175.5000113.8H86 I116 I150 L153 S155 V159H86-L157 PolarHBondContact CE1-O 3.47Å; H86-L157 PolarHBondContact NE2-O 3.19Å; I116-L157 HydrophobicContact CD1-CB 3.88Å; I116-L157 HydrophobicContact CD1-CD1 4.29Å; I116-L157 HydrophobicContact CD1-CD2 4.2Å; I116-L157 HydrophobicContact CD1-CG 4.34Å; I116-L157 HydrophobicContact CG1-CB 4.29Å; I116-L157 HydrophobicContact CG1-CD1 4.41Å; I150-L157 HydrophobicContact CG1-CD2 4.47Å; L153-L157 HydrophobicContact CB-CD2 4.38Å; L153-L157 HydrophobicContact CD1-CD2 4.18Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 3.46Å; S155-L157 VanDerWaalsContact O-N 3.15Å; L157-V159 PolarHBondContact O-N 3.09Å
158V94.8Very high93.6Very high86 Ų8663.4 Ų63.452%0.52135%0.346SS..  trans-68.1122.9179-179.20000110.1
159V95.7Very high93.6Very high8 Ų865.7 Ų65.75%0.04835%0.354CS..  trans-109.1139.9172.31770000107.6Y81 T82 V85 L157Y81-V159 HydrophobicContact CD1-CG1 3.87Å; Y81-V159 HydrophobicContact CE1-CG1 3.58Å; T82-V159 HydrophobicContact CG2-CB 4.28Å; T82-V159 HydrophobicContact CG2-CG2 3.97Å; V85-V159 HydrophobicContact CB-CG1 4.05Å; V85-V159 HydrophobicContact CB-CG2 4.17Å; V85-V159 HydrophobicContact CG1-CG1 3.97Å; V85-V159 HydrophobicContact CG1-CG2 3.78Å; V85-V159 HydrophobicContact CG2-CG1 3.95Å; L157-V159 PolarHBondContact O-N 3.09Å
160H94.6Very high93.7Very high59 Ų5972.3 Ų72.327%0.27338%0.38SS..  trans-104.1110.4175.1-76.1-68000105.7Y2 S5 H7Y2-H160 HydrophobicContact CD2-CB 3.85Å; Y2-H160 AromaticContact CD2-CD2 3.82Å; Y2-H160 AromaticContact CD2-CG 3.98Å; S5-H160 VanDerWaalsContact CB-CD2 3.5Å; S5-H160 WeakPolarHBondContact CB-CD2 3.34Å; S5-H160 WeakPolarHBondContact CB-NE2 3.37Å; S5-H160 PolarHBondContact OG-CD2 2.9Å; H7-H160 PolarHBondContact ND1-N 3.27Å
161E93Very high93.6Very high17 Ų1775.2 Ų75.28%0.07940%0.395CS..  trans-87.3154.1-178.8-3.292.6-17800111.6R78 Y81 F163 T164 P165R78-E161 VanDerWaalsContact CD-OE1 3.24Å; R78-E161 WeakPolarHBondContact CD-OE1 3.28Å; R78-E161 HydrophobicContact CG-CG 4.43Å; R78-E161 WeakPolarHBondContact CG-OE1 3.46Å; R78-E161 IonicContact CZ-OE1 2.7Å; R78-E161 IonicContact CZ-OE2 2.76Å; R78-E161 IonicContact NE-OE1 2.82Å; R78-E161 VanDerWaalsContact NH1-CD 3.26Å; R78-E161 IonicContact NH1-OE1 3.71Å; R78-E161 PolarHBondContact NH1-OE1 3.5Å; R78-E161 IonicContact NH1-OE2 2.71Å; R78-E161 PolarHBondContact NH1-OE2 2.89Å; Y81-E161 HydrophobicContact CD1-CB 3.62Å; Y81-E161 HydrophobicContact CD1-CG 3.99Å; Y81-E161 HydrophobicContact CE1-CB 3.76Å; Y81-E161 HydrophobicContact CE1-CG 4.45Å; Y81-E161 HydrophobicContact CG-CB 4.18Å; E161-F163 HydrophobicContact CB-CD2 3.6Å; E161-F163 HydrophobicContact CB-CE2 3.9Å; E161-F163 HydrophobicContact CB-CG 4.49Å; E161-F163 HydrophobicContact CG-CD2 4.17Å; E161-F163 PolarHBondContact O-N 3.08Å; E161-T164 PolarHBondContact OE2-OG1 3.39Å; E161-T164 VanDerWaalsContact OE2-OG1 3.11Å; E161-P165 WeakPolarHBondContact O-CD 3.47Å
162P93.5Very high93.6Very high62 Ų6271.9 Ų71.940%0.40339%0.385SS..SBendtrans-76.7-9.6-179.532.3-36.5000113.1Y81 P165 L166Y81-P162 HydrophobicContact CE2-CG 4.08Å; Y81-P162 VanDerWaalsContact CZ-CD 3.42Å; P162-P165 VanDerWaalsContact C-CD 3.49Å; P162-P165 WeakPolarHBondContact O-CD 3.35Å; P162-P165 WeakPolarHBondContact O-CG 3.48Å; P162-L166 VanDerWaalsContact O-CB 3.22Å; P162-L166 WeakPolarHBondContact O-CB 3.46Å; P162-L166 PolarHBondContact O-N 3.38Å; P162-L166 VanDerWaalsContact O-N 3.09Å
163F91.4Very high93.7Very high62 Ų6271 Ų7127%0.27239%0.387SS..Hα-helixtrans-67.8-46.9-176.7-47.3-58.5000111.5T77 Y81 E161 L166 E167T77-F163 HydrophobicContact CG2-CD2 4.48Å; T77-F163 HydrophobicContact CG2-CE1 4.11Å; T77-F163 HydrophobicContact CG2-CE2 3.78Å; T77-F163 HydrophobicContact CG2-CZ 3.56Å; Y81-F163 HydrophobicContact CD2-CE2 4.04Å; Y81-F163 AromaticContact CD2-CZ 3.96Å; Y81-F163 HydrophobicContact CD2-CZ 3.96Å; Y81-F163 AromaticContact CG-CE2 3.95Å; Y81-F163 HydrophobicContact CG-CE2 3.95Å; Y81-F163 HydrophobicContact CG-CZ 4.32Å; E161-F163 HydrophobicContact CB-CD2 3.6Å; E161-F163 HydrophobicContact CB-CE2 3.9Å; E161-F163 HydrophobicContact CB-CG 4.49Å; E161-F163 HydrophobicContact CG-CD2 4.17Å; E161-F163 PolarHBondContact O-N 3.08Å; F163-L166 WeakPolarHBondContact O-CB 3.47Å; F163-L166 PolarHBondContact O-N 3.17Å; F163-E167 WeakPolarHBondContact O-CG 3.33Å; F163-E167 PolarHBondContact O-N 3.13Å
164T88.8Confident93.7Very high69 Ų6974.7 Ų74.742%0.42341%0.405SS..Hα-helixtrans-58.9-49.6178.4-52.70000113.1R78 E161 L166 E167 G168R78-T164 PolarHBondContact NH1-OG1 2.9Å; R78-T164 VanDerWaalsContact NH1-OG1 3.09Å; R78-T164 PolarHBondContact NH2-OG1 3.01Å; E161-T164 PolarHBondContact OE2-OG1 3.39Å; E161-T164 VanDerWaalsContact OE2-OG1 3.11Å; T164-L166 VanDerWaalsContact C-N 3.32Å; T164-L166 PolarHBondContact O-N 3.14Å; T164-E167 PolarHBondContact O-N 3.01Å; T164-G168 PolarHBondContact O-N 3.4Å; T164-G168 VanDerWaalsContact O-N 3.15Å
165P93.2Very high93.6Very high81 Ų8174.3 Ų74.353%0.52640%0.4SS..Hα-helixtrans-68.9-28.2175.625.7-33.6000113.3E161 P162 G168 F169E161-P165 WeakPolarHBondContact O-CD 3.47Å; P162-P165 VanDerWaalsContact C-CD 3.49Å; P162-P165 WeakPolarHBondContact O-CD 3.35Å; P162-P165 WeakPolarHBondContact O-CG 3.48Å; P165-G168 PolarHBondContact O-N 3.05Å; P165-F169 WeakPolarHBondContact O-CB 3.25Å; P165-F169 PolarHBondContact O-N 3.23Å
166L93.8Very high93.2Very high114 Ų11472.6 Ų72.660%0.59739%0.388SS*.Hα-helixtrans-66.5-43.7174.9-179.464.5000111.7P162 F163 T164 G168 F169 Y170P162-L166 VanDerWaalsContact O-CB 3.22Å; P162-L166 WeakPolarHBondContact O-CB 3.46Å; P162-L166 PolarHBondContact O-N 3.38Å; P162-L166 VanDerWaalsContact O-N 3.09Å; F163-L166 WeakPolarHBondContact O-CB 3.47Å; F163-L166 PolarHBondContact O-N 3.17Å; T164-L166 VanDerWaalsContact C-N 3.32Å; T164-L166 PolarHBondContact O-N 3.14Å; L166-G168 VanDerWaalsContact C-N 3.35Å; L166-F169 PolarHBondContact O-N 3.43Å; L166-Y170 PolarHBondContact O-N 2.84Å
167E93.1Very high92.5Very high112 Ų11274.9 Ų74.952%0.52340%0.404SS..Hα-helixtrans-59.5-45.7173.3-72.9169.718000111.1F163 T164 F169 Y170 I171F163-E167 WeakPolarHBondContact O-CG 3.33Å; F163-E167 PolarHBondContact O-N 3.13Å; T164-E167 PolarHBondContact O-N 3.01Å; E167-F169 VanDerWaalsContact C-N 3.33Å; E167-F169 PolarHBondContact O-N 3.35Å; E167-Y170 PolarHBondContact O-N 2.99Å; E167-I171 WeakPolarHBondContact O-CG1 3.46Å; E167-I171 PolarHBondContact O-N 3.39Å
168G92.8Very high91.6Very high40 Ų4078.2 Ų78.241%0.41242%0.422SS..Hα-helixtrans-61.1-40.2175.700000113.1T164 P165 L166 I171 L172T164-G168 PolarHBondContact O-N 3.4Å; T164-G168 VanDerWaalsContact O-N 3.15Å; P165-G168 PolarHBondContact O-N 3.05Å; L166-G168 VanDerWaalsContact C-N 3.35Å; G168-I171 PolarHBondContact O-N 2.7Å; G168-L172 PolarHBondContact O-N 2.97Å; G168-L172 VanDerWaalsContact O-N 3.08Å
169F94.5Very high90.4Very high118 Ų11883.3 Ų83.352%0.51843%0.433SS..Hα-helixtrans-65.7-40.8175.2-177.1-105.8000112P165 L166 E167 L172 L173P165-F169 WeakPolarHBondContact O-CB 3.25Å; P165-F169 PolarHBondContact O-N 3.23Å; L166-F169 PolarHBondContact O-N 3.43Å; E167-F169 VanDerWaalsContact C-N 3.33Å; E167-F169 PolarHBondContact O-N 3.35Å; F169-L172 WeakPolarHBondContact O-CB 3.35Å; F169-L172 PolarHBondContact O-N 3.17Å; F169-L173 HydrophobicContact CD1-CD1 4Å; F169-L173 HydrophobicContact CD1-CG 4.45Å; F169-L173 HydrophobicContact CE1-CD1 3.52Å; F169-L173 HydrophobicContact CE1-CG 4.09Å; F169-L173 HydrophobicContact CZ-CD1 4.04Å; F169-L173 HydrophobicContact CZ-CD2 4.23Å; F169-L173 HydrophobicContact CZ-CG 4.21Å; F169-L173 WeakPolarHBondContact O-CG 3.39Å; F169-L173 PolarHBondContact O-N 2.99Å
170Y94.9Very high88.7Confident141 Ų14191.7 Ų91.755%0.55347%0.469SS*.Hα-helixtrans-62.6-44.9176.2177.5-104.3000112.1L166 E167 L172 L173 M174L166-Y170 PolarHBondContact O-N 2.84Å; E167-Y170 PolarHBondContact O-N 2.99Å; Y170-L172 VanDerWaalsContact C-N 3.3Å; Y170-L172 PolarHBondContact O-N 3.06Å; Y170-L173 WeakPolarHBondContact O-CB 3.46Å; Y170-L173 PolarHBondContact O-N 3.24Å; Y170-L173 VanDerWaalsContact O-N 3.17Å; Y170-M174 HydrophobicContact CD1-CG 4.33Å; Y170-M174 HydrophobicContact CE1-CG 3.86Å; Y170-M174 HydrophobicContact CE2-CE 4.05Å; Y170-M174 HydrophobicContact CE2-CG 4.11Å; Y170-M174 HydrophobicContact CE2-SD 4.08Å; Y170-M174 WeakPolarHBondContact O-CG 3.49Å; Y170-M174 PolarHBondContact O-N 3.37Å
171I94.5Very high86.9Confident105 Ų10598.3 Ų98.354%0.53851%0.506SS..Hα-helixtrans-59.1-43.9175.6-67.7164.7000110.6E167 G168 L173 M174 V175E167-I171 WeakPolarHBondContact O-CG1 3.46Å; E167-I171 PolarHBondContact O-N 3.39Å; G168-I171 PolarHBondContact O-N 2.7Å; I171-L173 VanDerWaalsContact C-N 3.29Å; I171-L173 PolarHBondContact O-N 3.41Å; I171-M174 PolarHBondContact O-N 3.31Å; I171-V175 HydrophobicContact CG2-CG2 4.35Å; I171-V175 WeakPolarHBondContact O-CG2 3.38Å; I171-V175 PolarHBondContact O-N 3.02Å
172L94.1Very high86.6Confident105 Ų105102.4 Ų102.455%0.5553%0.527SS..Hα-helixtrans-58.7-41.3177.2-177.868.5000112G168 F169 Y170 S176G168-L172 PolarHBondContact O-N 2.97Å; G168-L172 VanDerWaalsContact O-N 3.08Å; F169-L172 WeakPolarHBondContact O-CB 3.35Å; F169-L172 PolarHBondContact O-N 3.17Å; Y170-L172 VanDerWaalsContact C-N 3.3Å; Y170-L172 PolarHBondContact O-N 3.06Å; L172-S176 WeakPolarHBondContact O-CB 3.45Å; L172-S176 PolarHBondContact O-N 3.33Å; L172-S176 PolarHBondContact O-OG 3.43Å
173L94.3Very high86.2Confident78 Ų78104.5 Ų104.541%0.40853%0.533SS..Hα-helixtrans-65.2-45.1176.7-71.2178000112F169 Y170 I171 S176 V177F169-L173 HydrophobicContact CD1-CD1 4Å; F169-L173 HydrophobicContact CD1-CG 4.45Å; F169-L173 HydrophobicContact CE1-CD1 3.52Å; F169-L173 HydrophobicContact CE1-CG 4.09Å; F169-L173 HydrophobicContact CZ-CD1 4.04Å; F169-L173 HydrophobicContact CZ-CD2 4.23Å; F169-L173 HydrophobicContact CZ-CG 4.21Å; F169-L173 WeakPolarHBondContact O-CG 3.39Å; F169-L173 PolarHBondContact O-N 2.99Å; Y170-L173 WeakPolarHBondContact O-CB 3.46Å; Y170-L173 PolarHBondContact O-N 3.24Å; Y170-L173 VanDerWaalsContact O-N 3.17Å; I171-L173 VanDerWaalsContact C-N 3.29Å; I171-L173 PolarHBondContact O-N 3.41Å; L173-S176 PolarHBondContact O-N 3.39Å; L173-V177 WeakPolarHBondContact O-CG2 3.2Å; L173-V177 PolarHBondContact O-N 2.72Å; L173-V177 VanDerWaalsContact O-N 3.14Å
174M93.1Very high85.9Confident79 Ų79106.8 Ų106.839%0.38955%0.548SS..Hα-helixtrans-62.6-47.6179.9-65.5-62.892.800111.6Y170 I171 S176 V177 D178Y170-M174 HydrophobicContact CD1-CG 4.33Å; Y170-M174 HydrophobicContact CE1-CG 3.86Å; Y170-M174 HydrophobicContact CE2-CE 4.05Å; Y170-M174 HydrophobicContact CE2-CG 4.11Å; Y170-M174 HydrophobicContact CE2-SD 4.08Å; Y170-M174 WeakPolarHBondContact O-CG 3.49Å; Y170-M174 PolarHBondContact O-N 3.37Å; I171-M174 PolarHBondContact O-N 3.31Å; M174-S176 VanDerWaalsContact C-N 3.28Å; M174-S176 PolarHBondContact O-N 3.46Å; M174-V177 PolarHBondContact O-N 3.21Å; M174-V177 VanDerWaalsContact O-N 3.15Å; M174-D178 PolarHBondContact O-N 3.15Å
175V90.8Very high85.7Confident68 Ų68109.1 Ų109.141%0.41256%0.555SS.*Hα-helixtrans-60.9-40.4177.6172.80000111I171 V177 D178 Y179I171-V175 HydrophobicContact CG2-CG2 4.35Å; I171-V175 WeakPolarHBondContact O-CG2 3.38Å; I171-V175 PolarHBondContact O-N 3.02Å; V175-V177 VanDerWaalsContact C-N 3.3Å; V175-V177 PolarHBondContact O-N 3.05Å; V175-D178 PolarHBondContact O-N 3.33Å; V175-Y179 HydrophobicContact CG1-CD2 4.09Å; V175-Y179 HydrophobicContact CG1-CE2 3.7Å; V175-Y179 WeakPolarHBondContact O-CD2 3.4Å; V175-Y179 PolarHBondContact O-N 3.31Å
176S86.4Confident85.3Confident51 Ų51110.8 Ų110.836%0.35756%0.557SS.*Hα-helixtrans-63-36.8179.2-590000112.1L172 L173 M174 Y179 F180L172-S176 WeakPolarHBondContact O-CB 3.45Å; L172-S176 PolarHBondContact O-N 3.33Å; L172-S176 PolarHBondContact O-OG 3.43Å; L173-S176 PolarHBondContact O-N 3.39Å; M174-S176 VanDerWaalsContact C-N 3.28Å; M174-S176 PolarHBondContact O-N 3.46Å; S176-Y179 PolarHBondContact O-N 3.14Å; S176-F180 WeakPolarHBondContact O-CD2 3.16Å
177V80.5Confident84.7Confident75 Ų75110.6 Ų110.646%0.45555%0.554SS.*Hα-helixtrans-68.2-39.4178.3172.30000111.7L173 M174 V175 Y179 F180 L181L173-V177 WeakPolarHBondContact O-CG2 3.2Å; L173-V177 PolarHBondContact O-N 2.72Å; L173-V177 VanDerWaalsContact O-N 3.14Å; M174-V177 PolarHBondContact O-N 3.21Å; M174-V177 VanDerWaalsContact O-N 3.15Å; V175-V177 VanDerWaalsContact C-N 3.3Å; V175-V177 PolarHBondContact O-N 3.05Å; V177-Y179 PolarHBondContact O-N 2.99Å; V177-F180 PolarHBondContact O-N 3.21Å; V177-L181 HydrophobicContact CG1-CD1 4.24Å
178D75.6Confident84.1Confident113 Ų113110.5 Ų110.560%0.60456%0.557SS**Hα-helixtrans-64.1-21.6178.6-66.8-30.3000113.1M174 V175 F180M174-D178 PolarHBondContact O-N 3.15Å; V175-D178 PolarHBondContact O-N 3.33Å; D178-F180 VanDerWaalsContact C-N 3.35Å
179Y68.9Low83.4Confident192 Ų192115.9 Ų115.975%0.75357%0.568SS**THydrogen-bonded Turntrans-80.2-11.6173.1-81.2-77.9000114.1V175 S176 V177V175-Y179 HydrophobicContact CG1-CD2 4.09Å; V175-Y179 HydrophobicContact CG1-CE2 3.7Å; V175-Y179 WeakPolarHBondContact O-CD2 3.4Å; V175-Y179 PolarHBondContact O-N 3.31Å; S176-Y179 PolarHBondContact O-N 3.14Å; V177-Y179 PolarHBondContact O-N 2.99Å
180F60.6Low82.5Confident184 Ų184115.8 Ų115.881%0.80757%0.572SS**  trans-107.21.8-179.9-74.2-76.3000113.8S176 V177 D178S176-F180 WeakPolarHBondContact O-CD2 3.16Å; V177-F180 PolarHBondContact O-N 3.21Å; D178-F180 VanDerWaalsContact C-N 3.35Å
181L56.4Low81.4Confident198 Ų198113.5 Ų113.5100%1.03757%0.574SS**  trans-1120173.4-71.7171.8000110.6V177V177-L181 HydrophobicContact CG1-CD1 4.24Å

Retrieved 181 of 181 residues in 111.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).