A0A087Y054_POEFO Loading...

Ankyrin repeat and BTB/POZ domain-containing protein 1

May act as a mediator of the PTEN growth-suppressive signaling pathway. May play a role in developmental processes.

AlphaFold DB , UniProt , Accession A0A087Y054, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 477 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.3Low83.2Confident207 Ų20763.9 Ų63.9100%1.0230%0.302SS*.  0-39.50-151.3176-79.800112.8V3 Y4 D5M1-V3 PolarHBondContact O-N 3.21Å; M1-Y4 PolarHBondContact O-N 3.27Å; M1-D5 PolarHBondContact O-N 3.29Å
2D71.5Confident83.7Confident48 Ų4871.7 Ų71.726%0.25733%0.334SS..Hα-helixtrans-65.8-32.5-171.8-64.6-15.7000115.9D5 L6 L21 V27D2-D5 PolarHBondContact O-N 3.3Å; D2-L6 PolarHBondContact O-N 3.5Å; D2-L21 HydrophobicContact CB-CD2 4.34Å; D2-V27 HydrophobicContact CB-CG2 3.92Å
3V76.9Confident84.2Confident63 Ų6367.6 Ų67.638%0.38232%0.323SS..Hα-helixtrans-65.9-42.7175.9174.60000111.3M1 D5 L6 F7 V27 V31M1-V3 PolarHBondContact O-N 3.21Å; V3-D5 VanDerWaalsContact C-N 3.3Å; V3-D5 PolarHBondContact O-N 3.16Å; V3-L6 WeakPolarHBondContact O-CB 3.5Å; V3-L6 PolarHBondContact O-N 3.04Å; V3-F7 HydrophobicContact CG1-CD2 3.84Å; V3-F7 HydrophobicContact CG1-CE2 3.58Å; V3-F7 WeakPolarHBondContact O-CD2 3.45Å; V3-F7 PolarHBondContact O-N 2.71Å; V3-F7 VanDerWaalsContact O-N 3.08Å; V3-V27 HydrophobicContact CG2-CG1 4.43Å; V3-V31 HydrophobicContact CG1-CB 4.24Å; V3-V31 HydrophobicContact CG1-CG2 3.87Å; V3-V31 HydrophobicContact CG2-CG1 4.43Å
4Y82.6Confident84.5Confident184 Ų18467.9 Ų67.972%0.72233%0.328SS*.Hα-helixtrans-63.6-39.8176-179.1-93.3000111.2M1 F7 S8M1-Y4 PolarHBondContact O-N 3.27Å; Y4-F7 PolarHBondContact O-N 2.63Å; Y4-S8 WeakPolarHBondContact O-CB 3.22Å; Y4-S8 PolarHBondContact O-N 3.29Å
5D85.7Confident84.7Confident41 Ų4165.3 Ų65.322%0.21932%0.316CS..Hα-helixtrans-66.9-36.5176.9-162.423.3000112.1M1 D2 V3 S8 S9 R17 L21M1-D5 PolarHBondContact O-N 3.29Å; D2-D5 PolarHBondContact O-N 3.3Å; V3-D5 VanDerWaalsContact C-N 3.3Å; V3-D5 PolarHBondContact O-N 3.16Å; D5-S8 PolarHBondContact O-N 3.46Å; D5-S9 WeakPolarHBondContact O-CB 3.29Å; D5-S9 PolarHBondContact O-N 3.14Å; D5-S9 PolarHBondContact O-OG 3.12Å; D5-R17 IonicContact OD2-CZ 3.62Å; D5-R17 IonicContact OD2-NE 3.05Å; D5-R17 PolarHBondContact OD2-NE 3.46Å; D5-R17 IonicContact OD2-NH2 3.55Å; D5-R17 PolarHBondContact OD2-NH2 3.27Å; D5-L21 HydrophobicContact CB-CD1 4.25Å
6L88.4Confident84.6Confident0 Ų067.5 Ų67.50%034%0.338CS..Hα-helixtrans-60.1-48.7171.6179.564.1000111.2D2 V3 S8 S9 C10 V18 L21 V27 L29 V31 P39D2-L6 PolarHBondContact O-N 3.5Å; V3-L6 WeakPolarHBondContact O-CB 3.5Å; V3-L6 PolarHBondContact O-N 3.04Å; L6-S8 PolarHBondContact O-N 3.38Å; L6-S9 PolarHBondContact O-N 2.91Å; L6-C10 WeakPolarHBondContact O-CB 3.41Å; L6-C10 PolarHBondContact O-N 3.18Å; L6-C10 PolarHBondContact O-SG 3.02Å; L6-V18 HydrophobicContact CD1-CG1 3.96Å; L6-V18 HydrophobicContact CD1-CG2 4.27Å; L6-L21 HydrophobicContact CB-CD1 4.19Å; L6-V27 HydrophobicContact CB-CG1 4.47Å; L6-V27 HydrophobicContact CD2-CG1 3.79Å; L6-L29 HydrophobicContact CD1-CD2 4.15Å; L6-L29 HydrophobicContact CD2-CD2 4.14Å; L6-V31 HydrophobicContact CD2-CG2 4.21Å; L6-P39 HydrophobicContact CD2-CB 4.19Å; L6-P39 HydrophobicContact CD2-CG 3.7Å; L6-P39 HydrophobicContact CG-CB 4.2Å; L6-P39 HydrophobicContact CG-CG 4.11Å
7F88.1Confident84.6Confident14 Ų1468.5 Ų68.56%0.06134%0.337CS..Hα-helixtrans-62.3-42.3177-78.8-70000112.5V3 Y4 C10 R11 V31 D33 S37 P39 Y42V3-F7 HydrophobicContact CG1-CD2 3.84Å; V3-F7 HydrophobicContact CG1-CE2 3.58Å; V3-F7 WeakPolarHBondContact O-CD2 3.45Å; V3-F7 PolarHBondContact O-N 2.71Å; V3-F7 VanDerWaalsContact O-N 3.08Å; Y4-F7 PolarHBondContact O-N 2.63Å; F7-C10 PolarHBondContact O-N 3.36Å; F7-R11 WeakPolarHBondContact O-CG 3.42Å; F7-R11 PolarHBondContact O-N 2.96Å; F7-R11 VanDerWaalsContact O-N 3.09Å; F7-V31 HydrophobicContact CE2-CG2 3.9Å; F7-V31 HydrophobicContact CZ-CG2 4.04Å; F7-D33 HydrophobicContact CD2-CB 4.44Å; F7-D33 HydrophobicContact CE1-CB 4.08Å; F7-D33 HydrophobicContact CE2-CB 3.98Å; F7-D33 HydrophobicContact CZ-CB 3.79Å; F7-S37 VanDerWaalsContact CE1-O 3.3Å; F7-S37 WeakPolarHBondContact CE1-O 3.44Å; F7-S37 WeakPolarHBondContact CZ-O 3.34Å; F7-P39 HydrophobicContact CD1-CG 4.34Å; F7-P39 HydrophobicContact CE1-CG 3.89Å; F7-P39 HydrophobicContact CZ-CG 4.04Å; F7-Y42 AromaticContact CD1-CD2 3.52Å; F7-Y42 HydrophobicContact CD1-CD2 3.52Å; F7-Y42 AromaticContact CD1-CE2 3.54Å; F7-Y42 HydrophobicContact CD1-CE2 3.54Å; F7-Y42 AromaticContact CE1-CD2 3.92Å; F7-Y42 HydrophobicContact CE1-CD2 3.92Å; F7-Y42 AromaticContact CE1-CE2 3.81Å; F7-Y42 HydrophobicContact CE1-CE2 3.81Å
8S89.8Confident84.6Confident31 Ų3164.7 Ų64.722%0.21732%0.318CS..Hα-helixtrans-63-45176.6-175.10000111.7Y4 D5 L6 R11 K12Y4-S8 WeakPolarHBondContact O-CB 3.22Å; Y4-S8 PolarHBondContact O-N 3.29Å; D5-S8 PolarHBondContact O-N 3.46Å; L6-S8 PolarHBondContact O-N 3.38Å; S8-R11 PolarHBondContact O-N 2.79Å; S8-K12 WeakPolarHBondContact O-CG 3.41Å; S8-K12 PolarHBondContact O-N 3.49Å
9S90.3Very high84.3Confident4 Ų467.5 Ų67.53%0.02833%0.325CS..Hα-helixtrans-65.4-39.8178.5-59.20000111.6D5 L6 R11 K12 G13 D14 R17D5-S9 WeakPolarHBondContact O-CB 3.29Å; D5-S9 PolarHBondContact O-N 3.14Å; D5-S9 PolarHBondContact O-OG 3.12Å; L6-S9 PolarHBondContact O-N 2.91Å; S9-R11 VanDerWaalsContact C-N 3.34Å; S9-R11 PolarHBondContact O-N 2.92Å; S9-K12 PolarHBondContact O-N 2.89Å; S9-G13 PolarHBondContact O-N 3.12Å; S9-D14 PolarHBondContact O-N 3.35Å; S9-D14 VanDerWaalsContact O-N 3.1Å; S9-R17 VanDerWaalsContact OG-CG 3.26Å; S9-R17 WeakPolarHBondContact OG-CG 3.5Å
10C92Very high83.9Confident0 Ų068.8 Ų68.80%033%0.327CS..Hα-helixtrans-66.4-32.3175-72.40000113.7L6 F7 H48 L51L6-C10 WeakPolarHBondContact O-CB 3.41Å; L6-C10 PolarHBondContact O-N 3.18Å; L6-C10 PolarHBondContact O-SG 3.02Å; F7-C10 PolarHBondContact O-N 3.36Å; C10-H48 PolarHBondContact O-CD2 3.19Å; C10-L51 HydrophobicContact CB-CD2 4.33Å
11R90.6Very high83.6Confident111 Ų11165.5 Ų65.542%0.41931%0.311SS..Hα-helixtrans-70.2-40.3172.4-72172.4-179-1662.2111.9F7 S8 S9 Y42 C46 H48F7-R11 WeakPolarHBondContact O-CG 3.42Å; F7-R11 PolarHBondContact O-N 2.96Å; F7-R11 VanDerWaalsContact O-N 3.09Å; S8-R11 PolarHBondContact O-N 2.79Å; S9-R11 VanDerWaalsContact C-N 3.34Å; S9-R11 PolarHBondContact O-N 2.92Å; R11-Y42 HydrophobicContact CG-CD1 3.68Å; R11-Y42 HydrophobicContact CG-CE1 4.39Å; R11-Y42 HydrophobicContact CG-CG 3.95Å; R11-Y42 VanDerWaalsContact NH2-CE1 3.29Å; R11-Y42 PolarHBondContact NH2-OH 3.35Å; R11-C46 PolarHBondContact O-SG 3.36Å; R11-H48 PolarHBondContact O-NE2 3.18Å
12K89.1Confident84.3Confident157 Ų15756.8 Ų56.868%0.68327%0.27SS*.Hα-helixtrans-76.5-24.2-179.8-69.7176.6-176.61770113.5S8 S9 H48S8-K12 WeakPolarHBondContact O-CG 3.41Å; S8-K12 PolarHBondContact O-N 3.49Å; S9-K12 PolarHBondContact O-N 2.89Å; K12-H48 VanDerWaalsContact C-NE2 3.34Å; K12-H48 PolarHBondContact O-CE1 2.96Å; K12-H48 PolarHBondContact O-NE2 2.97Å
13G89.7Confident84.4Confident19 Ų1958.7 Ų58.720%0.19628%0.277CS..THydrogen-bonded Turntrans82.920.8-174.600000113.3S9 I15 H48S9-G13 PolarHBondContact O-N 3.12Å; G13-I15 PolarHBondContact O-N 3.08Å; G13-H48 WeakPolarHBondContact CA-CD2 3.47Å; G13-H48 VanDerWaalsContact CA-CG 3.49Å; G13-H48 WeakPolarHBondContact CA-NE2 3.3Å; G13-H48 PolarHBondContact N-CD2 3.43Å; G13-H48 PolarHBondContact N-NE2 3.02Å
14D89.5Confident84Confident72 Ų7261.6 Ų61.639%0.38529%0.287SS..  trans-78.285.5-178.3-169.8-19.7000110.8S9 C16 R17 V18S9-D14 PolarHBondContact O-N 3.35Å; S9-D14 VanDerWaalsContact O-N 3.1Å; D14-C16 VanDerWaalsContact C-N 3.25Å; D14-C16 PolarHBondContact O-N 3.22Å; D14-C16 PolarHBondContact OD1-N 3.19Å; D14-R17 HydrophobicContact CB-CB 4.08Å; D14-R17 VanDerWaalsContact CG-CB 3.47Å; D14-R17 PolarHBondContact O-N 2.93Å; D14-R17 PolarHBondContact OD1-N 3.36Å; D14-V18 WeakPolarHBondContact O-CG2 3.41Å; D14-V18 PolarHBondContact O-N 2.96Å
15I87.2Confident83.2Confident29 Ų2957.3 Ų57.315%0.14927%0.269CS..Hα-helixtrans-61.1-35.8-178.9-62.9166.4000111.4G13 V18 R19 E50 L51G13-I15 PolarHBondContact O-N 3.08Å; I15-V18 PolarHBondContact O-N 3.42Å; I15-R19 HydrophobicContact CG2-CG 4.29Å; I15-R19 WeakPolarHBondContact O-CB 3.31Å; I15-R19 VanDerWaalsContact O-CG 3.29Å; I15-R19 WeakPolarHBondContact O-CG 3.47Å; I15-R19 PolarHBondContact O-N 2.92Å; I15-E50 HydrophobicContact CD1-CB 3.48Å; I15-E50 VanDerWaalsContact CD1-CB 3.48Å; I15-L51 HydrophobicContact CB-CD1 4.49Å; I15-L51 HydrophobicContact CD1-CB 4.33Å; I15-L51 HydrophobicContact CG1-CB 3.8Å; I15-L51 HydrophobicContact CG1-CD1 3.9Å; I15-L51 HydrophobicContact CG1-CG 4.39Å
16C82.6Confident82.3Confident100 Ų10059 Ų5968%0.67628%0.278SS*.Hα-helixtrans-65.1-44.1-179.9-67.20000111D14 R19 Y20D14-C16 VanDerWaalsContact C-N 3.25Å; D14-C16 PolarHBondContact O-N 3.22Å; D14-C16 PolarHBondContact OD1-N 3.19Å; C16-R19 PolarHBondContact O-N 2.73Å; C16-Y20 PolarHBondContact O-N 3.4Å
17R84.7Confident81.7Confident85 Ų8559.8 Ų59.832%0.32128%0.283SS..Hα-helixtrans-68.3-41.9176.9-171.362.8179.7155.21.9112D5 S9 D14 R19 Y20 L21D5-R17 IonicContact OD2-CZ 3.62Å; D5-R17 IonicContact OD2-NE 3.05Å; D5-R17 PolarHBondContact OD2-NE 3.46Å; D5-R17 IonicContact OD2-NH2 3.55Å; D5-R17 PolarHBondContact OD2-NH2 3.27Å; S9-R17 VanDerWaalsContact OG-CG 3.26Å; S9-R17 WeakPolarHBondContact OG-CG 3.5Å; D14-R17 HydrophobicContact CB-CB 4.08Å; D14-R17 VanDerWaalsContact CG-CB 3.47Å; D14-R17 PolarHBondContact O-N 2.93Å; D14-R17 PolarHBondContact OD1-N 3.36Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-R19 PolarHBondContact O-N 3.45Å; R17-Y20 PolarHBondContact O-N 3.04Å; R17-L21 HydrophobicContact CG-CD1 4.22Å; R17-L21 WeakPolarHBondContact O-CG 3.46Å; R17-L21 PolarHBondContact O-N 3.46Å
18V85.6Confident81.1Confident0 Ų063.6 Ų63.60%030%0.304CS..Hα-helixtrans-62.9-41175.3176.70000111.2L6 D14 I15 L21 V22 L51 Y54 L55L6-V18 HydrophobicContact CD1-CG1 3.96Å; L6-V18 HydrophobicContact CD1-CG2 4.27Å; D14-V18 WeakPolarHBondContact O-CG2 3.41Å; D14-V18 PolarHBondContact O-N 2.96Å; I15-V18 PolarHBondContact O-N 3.42Å; V18-L21 PolarHBondContact O-N 3.02Å; V18-V22 HydrophobicContact CG1-CG2 4.05Å; V18-V22 WeakPolarHBondContact O-CB 3.42Å; V18-V22 WeakPolarHBondContact O-CG2 3.44Å; V18-V22 PolarHBondContact O-N 3.45Å; V18-L51 HydrophobicContact CB-CD1 3.92Å; V18-L51 HydrophobicContact CG1-CD1 3.96Å; V18-L51 HydrophobicContact CG2-CD1 3.95Å; V18-Y54 HydrophobicContact CG1-CD1 4.22Å; V18-Y54 HydrophobicContact CG1-CE1 3.97Å; V18-L55 HydrophobicContact CG1-CD2 4.02Å
19R78.6Confident80.7Confident118 Ų11862.6 Ų62.645%0.44530%0.296SS..Hα-helixtrans-58.5-48.7172.8-81175.8-175.7-173.74.3111.8I15 C16 R17 L21 V22 E23 Y54I15-R19 HydrophobicContact CG2-CG 4.29Å; I15-R19 WeakPolarHBondContact O-CB 3.31Å; I15-R19 VanDerWaalsContact O-CG 3.29Å; I15-R19 WeakPolarHBondContact O-CG 3.47Å; I15-R19 PolarHBondContact O-N 2.92Å; C16-R19 PolarHBondContact O-N 2.73Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-R19 PolarHBondContact O-N 3.45Å; R19-L21 VanDerWaalsContact C-N 3.35Å; R19-L21 PolarHBondContact O-N 3.17Å; R19-V22 PolarHBondContact O-N 3.36Å; R19-E23 WeakPolarHBondContact O-CB 3.39Å; R19-E23 VanDerWaalsContact O-CG 3.29Å; R19-E23 WeakPolarHBondContact O-CG 3.48Å; R19-E23 PolarHBondContact O-N 3.25Å; R19-Y54 HydrophobicContact CG-CD2 4.1Å; R19-Y54 HydrophobicContact CG-CE1 4.06Å; R19-Y54 HydrophobicContact CG-CE2 3.43Å; R19-Y54 VanDerWaalsContact CG-CE2 3.43Å; R19-Y54 VanDerWaalsContact CG-CZ 3.44Å
20Y75.3Confident80.3Confident92 Ų9264.2 Ų64.236%0.36131%0.305SS..Hα-helixtrans-57.6-46175.8176.2-90.8000112.3C16 R17 V22 Q24 R25C16-Y20 PolarHBondContact O-N 3.4Å; R17-Y20 PolarHBondContact O-N 3.04Å; Y20-V22 PolarHBondContact O-N 3.18Å; Y20-Q24 HydrophobicContact CD2-CB 4.04Å; Y20-Q24 HydrophobicContact CD2-CG 3.79Å; Y20-Q24 HydrophobicContact CE2-CB 4.01Å; Y20-Q24 HydrophobicContact CE2-CG 4.07Å; Y20-Q24 HydrophobicContact CG-CG 4.47Å; Y20-Q24 WeakPolarHBondContact O-CA 3.47Å; Y20-Q24 WeakPolarHBondContact O-CB 3.41Å; Y20-Q24 PolarHBondContact O-N 3.1Å; Y20-R25 HydrophobicContact CE1-CG 3.97Å; Y20-R25 PolarHBondContact O-N 3.19Å
21L77.3Confident79.8Confident0 Ų065.7 Ų65.70%031%0.313CS..Hα-helixtrans-66.2-38.6-179.6-69.4170.4000112.5D2 D5 L6 R17 V18 R19 R25 D26 V27D2-L21 HydrophobicContact CB-CD2 4.34Å; D5-L21 HydrophobicContact CB-CD1 4.25Å; L6-L21 HydrophobicContact CB-CD1 4.19Å; R17-L21 HydrophobicContact CG-CD1 4.22Å; R17-L21 WeakPolarHBondContact O-CG 3.46Å; R17-L21 PolarHBondContact O-N 3.46Å; V18-L21 PolarHBondContact O-N 3.02Å; R19-L21 VanDerWaalsContact C-N 3.35Å; R19-L21 PolarHBondContact O-N 3.17Å; L21-R25 HydrophobicContact CD2-CG 4.5Å; L21-R25 CarbonylContact O-C 3.46Å; L21-R25 VanDerWaalsContact O-CB 3.32Å; L21-R25 WeakPolarHBondContact O-CB 3.49Å; L21-R25 PolarHBondContact O-N 3.04Å; L21-D26 PolarHBondContact O-N 3.42Å; L21-V27 HydrophobicContact CB-CG2 4.26Å; L21-V27 HydrophobicContact CD2-CG2 4.49Å; L21-V27 WeakPolarHBondContact O-CG2 3.41Å; L21-V27 PolarHBondContact O-N 3Å
22V75.7Confident79.3Confident25 Ų2566.3 Ų66.315%0.15232%0.316CS..Hα-helixtrans-77.9-46.6-179.5175.20000111.4V18 R19 Y20 L29 Y54V18-V22 HydrophobicContact CG1-CG2 4.05Å; V18-V22 WeakPolarHBondContact O-CB 3.42Å; V18-V22 WeakPolarHBondContact O-CG2 3.44Å; V18-V22 PolarHBondContact O-N 3.45Å; R19-V22 PolarHBondContact O-N 3.36Å; Y20-V22 PolarHBondContact O-N 3.18Å; V22-L29 HydrophobicContact CG1-CD1 4.06Å; V22-L29 HydrophobicContact CG1-CG 4.46Å; V22-L29 HydrophobicContact CG2-CD1 4.03Å; V22-L29 HydrophobicContact CG2-CD2 3.34Å; V22-L29 HydrophobicContact CG2-CG 3.85Å; V22-Y54 HydrophobicContact CG2-CE1 4.4Å
23E72.7Confident78.9Confident87 Ų8760.2 Ų60.241%0.40729%0.291SS..Hα-helixtrans-84.3-35.3-171.2-60.9172.4173.400112.2R19 Y54 R98R19-E23 WeakPolarHBondContact O-CB 3.39Å; R19-E23 VanDerWaalsContact O-CG 3.29Å; R19-E23 WeakPolarHBondContact O-CG 3.48Å; R19-E23 PolarHBondContact O-N 3.25Å; E23-Y54 PolarHBondContact OE1-OH 3.02Å; E23-R98 IonicContact OE1-CZ 3.32Å; E23-R98 IonicContact OE1-NH1 2.86Å; E23-R98 PolarHBondContact OE1-NH1 3.24Å
24Q67.8Low78.5Confident125 Ų12567.5 Ų67.558%0.58432%0.317SS*.THydrogen-bonded Turntrans-102-28.3-175.3-54.6-64.4-37.600113.5Y20Y20-Q24 HydrophobicContact CD2-CB 4.04Å; Y20-Q24 HydrophobicContact CD2-CG 3.79Å; Y20-Q24 HydrophobicContact CE2-CB 4.01Å; Y20-Q24 HydrophobicContact CE2-CG 4.07Å; Y20-Q24 HydrophobicContact CG-CG 4.47Å; Y20-Q24 WeakPolarHBondContact O-CA 3.47Å; Y20-Q24 WeakPolarHBondContact O-CB 3.41Å; Y20-Q24 PolarHBondContact O-N 3.1Å
25R67.3Low78Confident93 Ų9371.3 Ų71.335%0.35133%0.326SS..THydrogen-bonded Turntrans-108.5-5.9-176.2-64.4-82.7-179.5159.6-1.5114Y20 L21 V27Y20-R25 HydrophobicContact CE1-CG 3.97Å; Y20-R25 PolarHBondContact O-N 3.19Å; L21-R25 HydrophobicContact CD2-CG 4.5Å; L21-R25 CarbonylContact O-C 3.46Å; L21-R25 VanDerWaalsContact O-CB 3.32Å; L21-R25 WeakPolarHBondContact O-CB 3.49Å; L21-R25 PolarHBondContact O-N 3.04Å; R25-V27 HydrophobicContact CB-CG2 3.89Å; R25-V27 PolarHBondContact O-N 3.27Å
26D66.5Low77.6Confident77 Ų7773.3 Ų73.341%0.41234%0.337SS..  trans54.336.9-179.9-162.436.5000113.1L21 D28 R394L21-D26 PolarHBondContact O-N 3.42Å; D26-D28 PolarHBondContact O-N 2.87Å; D26-R394 IonicContact OD2-NH1 3.81Å
27V75.6Confident77.6Confident17 Ų1768.8 Ų68.810%0.10331%0.306CS..  trans-71126.3179.8-177.10000109.8D2 V3 L6 L21 R25 L29D2-V27 HydrophobicContact CB-CG2 3.92Å; V3-V27 HydrophobicContact CG2-CG1 4.43Å; L6-V27 HydrophobicContact CB-CG1 4.47Å; L6-V27 HydrophobicContact CD2-CG1 3.79Å; L21-V27 HydrophobicContact CB-CG2 4.26Å; L21-V27 HydrophobicContact CD2-CG2 4.49Å; L21-V27 WeakPolarHBondContact O-CG2 3.41Å; L21-V27 PolarHBondContact O-N 3Å; R25-V27 HydrophobicContact CB-CG2 3.89Å; R25-V27 PolarHBondContact O-N 3.27Å; V27-L29 PolarHBondContact O-N 3.42Å
28D74.9Confident77.8Confident94 Ų9465.2 Ų65.250%0.50329%0.294SS..  trans-61.5123.8176.9-18011.4000111D26 N30 V31D26-D28 PolarHBondContact O-N 2.87Å; D28-N30 VanDerWaalsContact C-N 3.25Å; D28-N30 PolarHBondContact O-N 2.68Å; D28-N30 PolarHBondContact OD1-N 3Å; D28-V31 HydrophobicContact CB-CG1 3.9Å; D28-V31 WeakPolarHBondContact O-CG1 3.17Å; D28-V31 VanDerWaalsContact O-CG2 3.31Å; D28-V31 WeakPolarHBondContact O-CG2 3.45Å
29L81.7Confident78.1Confident9 Ų965.2 Ų65.25%0.04729%0.294CS..THydrogen-bonded Turntrans-76.2-12-179.5-74176.9000113.8L6 V22 V27 P39 L55 S58L6-L29 HydrophobicContact CD1-CD2 4.15Å; L6-L29 HydrophobicContact CD2-CD2 4.14Å; V22-L29 HydrophobicContact CG1-CD1 4.06Å; V22-L29 HydrophobicContact CG1-CG 4.46Å; V22-L29 HydrophobicContact CG2-CD1 4.03Å; V22-L29 HydrophobicContact CG2-CD2 3.34Å; V22-L29 HydrophobicContact CG2-CG 3.85Å; V27-L29 PolarHBondContact O-N 3.42Å; L29-P39 WeakPolarHBondContact O-CD 3.47Å; L29-P39 WeakPolarHBondContact O-CG 3.4Å; L29-L55 HydrophobicContact CD1-CD2 4.28Å; L29-L55 HydrophobicContact CD2-CD2 3.45Å; L29-L55 VanDerWaalsContact CD2-CD2 3.45Å; L29-L55 HydrophobicContact CG-CD2 4.42Å; L29-S58 WeakPolarHBondContact CD1-O 3.1Å
30N82.2Confident78.6Confident38 Ų3859.7 Ų59.720%0.20327%0.274CS..THydrogen-bonded Turntrans-105.515-176.8-61.3-67.1000113.2D28 G59 K61D28-N30 VanDerWaalsContact C-N 3.25Å; D28-N30 PolarHBondContact O-N 2.68Å; D28-N30 PolarHBondContact OD1-N 3Å; N30-G59 PolarHBondContact ND2-O 3.11Å; N30-K61 HydrophobicContact CB-CD 4.34Å; N30-K61 WeakPolarHBondContact OD1-CB 3.4Å; N30-K61 WeakPolarHBondContact OD1-CG 3.28Å; N30-K61 PolarHBondContact OD1-N 3.22Å
31V81.1Confident79.3Confident31 Ų3157.2 Ų57.219%0.18826%0.264CS..  trans-60153.9171.6-67.90000111.8V3 L6 F7 D28 P39V3-V31 HydrophobicContact CG1-CB 4.24Å; V3-V31 HydrophobicContact CG1-CG2 3.87Å; V3-V31 HydrophobicContact CG2-CG1 4.43Å; L6-V31 HydrophobicContact CD2-CG2 4.21Å; F7-V31 HydrophobicContact CE2-CG2 3.9Å; F7-V31 HydrophobicContact CZ-CG2 4.04Å; D28-V31 HydrophobicContact CB-CG1 3.9Å; D28-V31 WeakPolarHBondContact O-CG1 3.17Å; D28-V31 VanDerWaalsContact O-CG2 3.31Å; D28-V31 WeakPolarHBondContact O-CG2 3.45Å; V31-P39 HydrophobicContact CG2-CG 3.87Å; V31-P39 VanDerWaalsContact O-CD 3.25Å; V31-P39 WeakPolarHBondContact O-CD 3.46Å
32R80.6Confident80Confident125 Ų12558.1 Ų58.147%0.47227%0.267SS..  trans-119137-178.5-62.1-174.6166.3-151.4-6.4110.2D36 D68R32-D36 VanDerWaalsContact CD-OD1 3.22Å; R32-D36 WeakPolarHBondContact CD-OD1 3.4Å; R32-D36 IonicContact CZ-OD1 3.98Å; R32-D36 IonicContact CZ-OD2 2.69Å; R32-D36 IonicContact NE-OD1 3.96Å; R32-D36 IonicContact NH1-OD1 3.92Å; R32-D36 PolarHBondContact NH1-OD1 2.96Å; R32-D36 IonicContact NH1-OD2 3.06Å; R32-D36 PolarHBondContact NH1-OD2 3.31Å; R32-D68 IonicContact CZ-OD2 3.09Å; R32-D68 IonicContact NH2-OD1 3.7Å; R32-D68 IonicContact NH2-OD2 2.96Å; R32-D68 PolarHBondContact NH2-OD2 2.8Å
33D81.5Confident80.8Confident28 Ų2856.9 Ų56.915%0.1526%0.26CS..  trans-83.5-179.5171.971.69.7000111.8F7 W35 D36 S37 Y42F7-D33 HydrophobicContact CD2-CB 4.44Å; F7-D33 HydrophobicContact CE1-CB 4.08Å; F7-D33 HydrophobicContact CE2-CB 3.98Å; F7-D33 HydrophobicContact CZ-CB 3.79Å; D33-W35 PolarHBondContact O-N 3.03Å; D33-W35 VanDerWaalsContact OD1-C 3.29Å; D33-W35 WeakPolarHBondContact OD1-CA 3.36Å; D33-W35 WeakPolarHBondContact OD1-CB 3.46Å; D33-W35 PolarHBondContact OD1-N 3.49Å; D33-D36 PolarHBondContact O-N 3.09Å; D33-D36 PolarHBondContact OD1-N 2.57Å; D33-S37 PolarHBondContact N-O 2.99Å; D33-S37 VanDerWaalsContact N-O 3.08Å; D33-S37 VanDerWaalsContact OD1-CB 3.3Å; D33-S37 WeakPolarHBondContact OD1-CB 3.47Å; D33-S37 PolarHBondContact OD1-N 3.02Å; D33-Y42 WeakPolarHBondContact OD2-CE2 3.23Å; D33-Y42 VanDerWaalsContact OD2-CZ 3.28Å; D33-Y42 PolarHBondContact OD2-OH 2.92Å
34K81.1Confident81.7Confident173 Ų17352.8 Ų52.875%0.75224%0.241SC*.THydrogen-bonded Turntrans-61.9-9.3177.667.3-176.6-178.8-178.40115.1
35W79.3Confident82.8Confident152 Ų15250.1 Ų50.158%0.57623%0.23SC*.THydrogen-bonded Turntrans-11019.9175.9-58.7-78.2000111.9D33 S37D33-W35 PolarHBondContact O-N 3.03Å; D33-W35 VanDerWaalsContact OD1-C 3.29Å; D33-W35 WeakPolarHBondContact OD1-CA 3.36Å; D33-W35 WeakPolarHBondContact OD1-CB 3.46Å; D33-W35 PolarHBondContact OD1-N 3.49Å; W35-S37 PolarHBondContact O-N 3.29Å; W35-S37 VanDerWaalsContact O-N 3.16Å; W35-S37 PolarHBondContact O-OG 3.31Å
36D77.6Confident83.9Confident70 Ų7048 Ų4837%0.37423%0.229SC..SBendtrans57.228.4-178.9-15044.8000113R32 D33R32-D36 VanDerWaalsContact CD-OD1 3.22Å; R32-D36 WeakPolarHBondContact CD-OD1 3.4Å; R32-D36 IonicContact CZ-OD1 3.98Å; R32-D36 IonicContact CZ-OD2 2.69Å; R32-D36 IonicContact NE-OD1 3.96Å; R32-D36 IonicContact NH1-OD1 3.92Å; R32-D36 PolarHBondContact NH1-OD1 2.96Å; R32-D36 IonicContact NH1-OD2 3.06Å; R32-D36 PolarHBondContact NH1-OD2 3.31Å; D33-D36 PolarHBondContact O-N 3.09Å; D33-D36 PolarHBondContact OD1-N 2.57Å
37S83.8Confident85.1Confident5 Ų544.9 Ų44.94%0.03522%0.215CC..  trans-100.6141.4-177-55.80000111.3F7 D33 W35 R71F7-S37 VanDerWaalsContact CE1-O 3.3Å; F7-S37 WeakPolarHBondContact CE1-O 3.44Å; F7-S37 WeakPolarHBondContact CZ-O 3.34Å; D33-S37 PolarHBondContact N-O 2.99Å; D33-S37 VanDerWaalsContact N-O 3.08Å; D33-S37 VanDerWaalsContact OD1-CB 3.3Å; D33-S37 WeakPolarHBondContact OD1-CB 3.47Å; D33-S37 PolarHBondContact OD1-N 3.02Å; W35-S37 PolarHBondContact O-N 3.29Å; W35-S37 VanDerWaalsContact O-N 3.16Å; W35-S37 PolarHBondContact O-OG 3.31Å; S37-R71 PolarHBondContact OG-NH2 3.38Å
38T88.8Confident85.9Confident11 Ų1146.6 Ų46.67%0.06722%0.222CC..  trans-94.4157.4178.860.70000112.1L40 Y41 Y42T38-L40 PolarHBondContact O-N 3.32Å; T38-Y41 WeakPolarHBondContact O-CB 3.46Å; T38-Y41 PolarHBondContact O-N 3.48Å; T38-Y41 VanDerWaalsContact O-N 3.07Å; T38-Y41 PolarHBondContact OG1-N 3.41Å; T38-Y42 WeakPolarHBondContact O-CD2 3.46Å; T38-Y42 PolarHBondContact O-N 3.14Å
39P90.8Very high86.6Confident0 Ų045.4 Ų45.40%021%0.213CC..Hα-helixtrans-55.1-39.3173.4-27.634.2000112.8L6 F7 L29 V31 Y41 Y42 A43L6-P39 HydrophobicContact CD2-CB 4.19Å; L6-P39 HydrophobicContact CD2-CG 3.7Å; L6-P39 HydrophobicContact CG-CB 4.2Å; L6-P39 HydrophobicContact CG-CG 4.11Å; F7-P39 HydrophobicContact CD1-CG 4.34Å; F7-P39 HydrophobicContact CE1-CG 3.89Å; F7-P39 HydrophobicContact CZ-CG 4.04Å; L29-P39 WeakPolarHBondContact O-CD 3.47Å; L29-P39 WeakPolarHBondContact O-CG 3.4Å; V31-P39 HydrophobicContact CG2-CG 3.87Å; V31-P39 VanDerWaalsContact O-CD 3.25Å; V31-P39 WeakPolarHBondContact O-CD 3.46Å; P39-Y41 VanDerWaalsContact C-N 3.33Å; P39-Y41 PolarHBondContact O-N 3.05Å; P39-Y42 PolarHBondContact O-N 3.29Å; P39-A43 PolarHBondContact O-N 3.5Å; P39-A43 VanDerWaalsContact O-N 3.14Å
40L90.3Very high86.8Confident2 Ų251.9 Ų51.91%0.0124%0.243CC..Hα-helixtrans-59.9-40.8175.5-178.366.3000112.2T38 Y42 A43 C44 V52 L55 L56 A60 C62T38-L40 PolarHBondContact O-N 3.32Å; L40-Y42 VanDerWaalsContact C-N 3.34Å; L40-Y42 PolarHBondContact O-N 3.17Å; L40-A43 PolarHBondContact O-N 3.01Å; L40-C44 PolarHBondContact O-N 3.33Å; L40-C44 PolarHBondContact O-SG 2.93Å; L40-V52 HydrophobicContact CD1-CG1 4.05Å; L40-L55 HydrophobicContact CD1-CB 3.94Å; L40-L55 HydrophobicContact CD1-CD1 4.29Å; L40-L56 HydrophobicContact CD1-CD2 4.05Å; L40-L56 HydrophobicContact CD1-CG 4.06Å; L40-L56 HydrophobicContact CD2-CD2 3.69Å; L40-A60 HydrophobicContact CB-CB 4.12Å; L40-A60 HydrophobicContact CD1-CB 4.35Å; L40-A60 HydrophobicContact CD2-CB 4.02Å; L40-A60 HydrophobicContact CG-CB 4.39Å; L40-C62 HydrophobicContact CD2-CB 3.7Å
41Y89.4Confident87.2Confident39 Ų3950.1 Ų50.115%0.15323%0.234CC..Hα-helixtrans-60.1-43.2177.4170-100.4000111.8T38 P39 C44 L45 R71T38-Y41 WeakPolarHBondContact O-CB 3.46Å; T38-Y41 PolarHBondContact O-N 3.48Å; T38-Y41 VanDerWaalsContact O-N 3.07Å; T38-Y41 PolarHBondContact OG1-N 3.41Å; P39-Y41 VanDerWaalsContact C-N 3.33Å; P39-Y41 PolarHBondContact O-N 3.05Å; Y41-C44 PolarHBondContact O-N 3.25Å; Y41-L45 HydrophobicContact CE1-CD2 4.05Å; Y41-L45 VanDerWaalsContact O-CB 3.29Å; Y41-L45 WeakPolarHBondContact O-CB 3.35Å; Y41-L45 PolarHBondContact O-N 2.91Å; Y41-R71 HydrophobicContact CD2-CB 4.17Å; Y41-R71 HydrophobicContact CE2-CB 4.33Å; Y41-R71 HydrophobicContact CE2-CG 4.49Å
42Y91.1Very high87.6Confident19 Ų1948.7 Ų48.78%0.07523%0.225CC..Hα-helixtrans-66.9-39.6177.8-74.5-72000113F7 R11 D33 T38 P39 L40 C44 L45 C46F7-Y42 AromaticContact CD1-CD2 3.52Å; F7-Y42 HydrophobicContact CD1-CD2 3.52Å; F7-Y42 AromaticContact CD1-CE2 3.54Å; F7-Y42 HydrophobicContact CD1-CE2 3.54Å; F7-Y42 AromaticContact CE1-CD2 3.92Å; F7-Y42 HydrophobicContact CE1-CD2 3.92Å; F7-Y42 AromaticContact CE1-CE2 3.81Å; F7-Y42 HydrophobicContact CE1-CE2 3.81Å; R11-Y42 HydrophobicContact CG-CD1 3.68Å; R11-Y42 HydrophobicContact CG-CE1 4.39Å; R11-Y42 HydrophobicContact CG-CG 3.95Å; R11-Y42 VanDerWaalsContact NH2-CE1 3.29Å; R11-Y42 PolarHBondContact NH2-OH 3.35Å; D33-Y42 WeakPolarHBondContact OD2-CE2 3.23Å; D33-Y42 VanDerWaalsContact OD2-CZ 3.28Å; D33-Y42 PolarHBondContact OD2-OH 2.92Å; T38-Y42 WeakPolarHBondContact O-CD2 3.46Å; T38-Y42 PolarHBondContact O-N 3.14Å; P39-Y42 PolarHBondContact O-N 3.29Å; L40-Y42 VanDerWaalsContact C-N 3.34Å; L40-Y42 PolarHBondContact O-N 3.17Å; Y42-C44 VanDerWaalsContact C-N 3.3Å; Y42-C44 PolarHBondContact O-N 2.79Å; Y42-L45 PolarHBondContact O-N 3.31Å; Y42-C46 WeakPolarHBondContact O-CB 3.26Å; Y42-C46 PolarHBondContact O-N 3.4Å; Y42-C46 PolarHBondContact O-SG 2.83Å; Y42-C46 VanDerWaalsContact O-SG 3.41Å
43A92.7Very high87.8Confident0 Ų047.1 Ų47.10%022%0.223CC..Hα-helixtrans-61.9-40.4174.700000111.5P39 L40 G47 H48 L51 V52 L55P39-A43 PolarHBondContact O-N 3.5Å; P39-A43 VanDerWaalsContact O-N 3.14Å; L40-A43 PolarHBondContact O-N 3.01Å; A43-G47 PolarHBondContact O-N 3.5Å; A43-G47 VanDerWaalsContact O-N 3.15Å; A43-H48 PolarHBondContact O-N 3.41Å; A43-L51 HydrophobicContact CB-CD2 3.92Å; A43-L51 HydrophobicContact CB-CG 4.13Å; A43-V52 HydrophobicContact CB-CG2 3.74Å; A43-L55 HydrophobicContact CB-CD1 3.64Å
44C91.7Very high87.9Confident0 Ų046.3 Ų46.30%022%0.218CC..Hα-helixtrans-65.2-45.3174.5-63.60000112.3L40 Y41 Y42 G47 S76 L77 I81L40-C44 PolarHBondContact O-N 3.33Å; L40-C44 PolarHBondContact O-SG 2.93Å; Y41-C44 PolarHBondContact O-N 3.25Å; Y42-C44 VanDerWaalsContact C-N 3.3Å; Y42-C44 PolarHBondContact O-N 2.79Å; C44-G47 PolarHBondContact O-N 3.06Å; C44-S76 WeakPolarHBondContact O-CA 3.39Å; C44-L77 PolarHBondContact O-N 2.83Å; C44-I81 HydrophobicContact CB-CG2 4.32Å
45L91.4Very high88Confident70 Ų7038.1 Ų38.137%0.36618%0.182SC..Hα-helixtrans-64.5-39.3-178.5-17569.8000112.3Y41 Y42 G47 G75Y41-L45 HydrophobicContact CE1-CD2 4.05Å; Y41-L45 VanDerWaalsContact O-CB 3.29Å; Y41-L45 WeakPolarHBondContact O-CB 3.35Å; Y41-L45 PolarHBondContact O-N 2.91Å; Y42-L45 PolarHBondContact O-N 3.31Å; L45-G47 VanDerWaalsContact C-N 3.33Å; L45-G75 WeakPolarHBondContact CA-O 3.33Å
46C90.6Very high88.1Confident47 Ų4730.9 Ų30.932%0.31816%0.155SC..Hα-helixtrans-84.2-6.9178.9-64.70000113.3R11 Y42 H48R11-C46 PolarHBondContact O-SG 3.36Å; Y42-C46 WeakPolarHBondContact O-CB 3.26Å; Y42-C46 PolarHBondContact O-N 3.4Å; Y42-C46 PolarHBondContact O-SG 2.83Å; Y42-C46 VanDerWaalsContact O-SG 3.41Å; C46-H48 VanDerWaalsContact CB-CD2 3.47Å; C46-H48 WeakPolarHBondContact CB-CD2 3.41Å; C46-H48 WeakPolarHBondContact CB-NE2 3.32Å
47G91.4Very high87.9Confident12 Ų1229.3 Ų29.312%0.12415%0.152CC..THydrogen-bonded Turntrans82.420.6172.900000115.6A43 C44 L45 E49 N78 I81A43-G47 PolarHBondContact O-N 3.5Å; A43-G47 VanDerWaalsContact O-N 3.15Å; C44-G47 PolarHBondContact O-N 3.06Å; L45-G47 VanDerWaalsContact C-N 3.33Å; G47-E49 PolarHBondContact O-N 2.71Å; G47-E49 VanDerWaalsContact O-N 3.1Å; G47-N78 PolarHBondContact O-ND2 3.36Å; G47-I81 VanDerWaalsContact C-CD1 3.46Å
48H93.1Very high87.4Confident54 Ų5429.7 Ų29.725%0.2516%0.155CC..  trans-84.482.2-175.7-60.4-54.2000111.5C10 R11 K12 G13 A43 C46 E50 L51 V52C10-H48 PolarHBondContact O-CD2 3.19Å; R11-H48 PolarHBondContact O-NE2 3.18Å; K12-H48 VanDerWaalsContact C-NE2 3.34Å; K12-H48 PolarHBondContact O-CE1 2.96Å; K12-H48 PolarHBondContact O-NE2 2.97Å; G13-H48 WeakPolarHBondContact CA-CD2 3.47Å; G13-H48 VanDerWaalsContact CA-CG 3.49Å; G13-H48 WeakPolarHBondContact CA-NE2 3.3Å; G13-H48 PolarHBondContact N-CD2 3.43Å; G13-H48 PolarHBondContact N-NE2 3.02Å; A43-H48 PolarHBondContact O-N 3.41Å; C46-H48 VanDerWaalsContact CB-CD2 3.47Å; C46-H48 WeakPolarHBondContact CB-CD2 3.41Å; C46-H48 WeakPolarHBondContact CB-NE2 3.32Å; H48-E50 PolarHBondContact O-N 3.29Å; H48-L51 HydrophobicContact CB-CB 3.79Å; H48-L51 HydrophobicContact CB-CD2 4.34Å; H48-L51 PolarHBondContact O-N 2.96Å; H48-V52 WeakPolarHBondContact O-CG2 2.99Å; H48-V52 PolarHBondContact O-N 3.3Å
49E89.2Confident86.5Confident69 Ų6930.4 Ų30.432%0.32216%0.164SC..Hα-helixtrans-59.5-46.7-172-175.1171170.500114.1G47 L51 V52 Q53 S80 I81G47-E49 PolarHBondContact O-N 2.71Å; G47-E49 VanDerWaalsContact O-N 3.1Å; E49-L51 VanDerWaalsContact C-N 3.27Å; E49-L51 PolarHBondContact O-N 3.05Å; E49-V52 PolarHBondContact O-N 2.85Å; E49-Q53 PolarHBondContact O-N 2.93Å; E49-S80 WeakPolarHBondContact OE2-CB 3.39Å; E49-S80 PolarHBondContact OE2-OG 3.29Å; E49-I81 HydrophobicContact CB-CD1 4.24Å; E49-I81 HydrophobicContact CB-CG1 3.91Å; E49-I81 HydrophobicContact CG-CG1 4.1Å
50E86.4Confident86Confident145 Ų14530.7 Ų30.768%0.67817%0.166SC*.Hα-helixtrans-62.5-36177.4-70.1-176.6179.900112I15 H48 Y54I15-E50 HydrophobicContact CD1-CB 3.48Å; I15-E50 VanDerWaalsContact CD1-CB 3.48Å; H48-E50 PolarHBondContact O-N 3.29Å; E50-Y54 WeakPolarHBondContact O-CB 3.27Å; E50-Y54 PolarHBondContact O-N 3.11Å
51L89.8Confident85.2Confident1 Ų137.3 Ų37.31%0.00520%0.195CC..Hα-helixtrans-71-40.1176-177.662.2000111.6C10 I15 V18 A43 H48 E49 Q53 Y54 L55C10-L51 HydrophobicContact CB-CD2 4.33Å; I15-L51 HydrophobicContact CB-CD1 4.49Å; I15-L51 HydrophobicContact CD1-CB 4.33Å; I15-L51 HydrophobicContact CG1-CB 3.8Å; I15-L51 HydrophobicContact CG1-CD1 3.9Å; I15-L51 HydrophobicContact CG1-CG 4.39Å; V18-L51 HydrophobicContact CB-CD1 3.92Å; V18-L51 HydrophobicContact CG1-CD1 3.96Å; V18-L51 HydrophobicContact CG2-CD1 3.95Å; A43-L51 HydrophobicContact CB-CD2 3.92Å; A43-L51 HydrophobicContact CB-CG 4.13Å; H48-L51 HydrophobicContact CB-CB 3.79Å; H48-L51 HydrophobicContact CB-CD2 4.34Å; H48-L51 PolarHBondContact O-N 2.96Å; E49-L51 VanDerWaalsContact C-N 3.27Å; E49-L51 PolarHBondContact O-N 3.05Å; L51-Q53 VanDerWaalsContact C-N 3.34Å; L51-Y54 HydrophobicContact CD1-CD1 4.41Å; L51-Y54 PolarHBondContact O-N 3.36Å; L51-L55 HydrophobicContact CD1-CD1 4.44Å; L51-L55 HydrophobicContact CD1-CG 4.26Å; L51-L55 HydrophobicContact CG-CD1 4.05Å; L51-L55 HydrophobicContact CG-CG 4.32Å; L51-L55 WeakPolarHBondContact O-CB 3.19Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.18Å; L51-L55 PolarHBondContact O-N 3.18Å
52V89.6Confident84.4Confident0 Ų035.8 Ų35.80%019%0.19CC..Hα-helixtrans-61.8-44175.6172.60000110.5L40 A43 H48 E49 Y54 L55 L56 I81 L84 L85L40-V52 HydrophobicContact CD1-CG1 4.05Å; A43-V52 HydrophobicContact CB-CG2 3.74Å; H48-V52 WeakPolarHBondContact O-CG2 2.99Å; H48-V52 PolarHBondContact O-N 3.3Å; E49-V52 PolarHBondContact O-N 2.85Å; V52-Y54 VanDerWaalsContact C-N 3.32Å; V52-Y54 PolarHBondContact O-N 3.09Å; V52-L55 PolarHBondContact O-N 3.48Å; V52-L56 HydrophobicContact CG1-CD1 3.86Å; V52-L56 HydrophobicContact CG1-CG 4.31Å; V52-L56 WeakPolarHBondContact O-CB 3.27Å; V52-L56 VanDerWaalsContact O-CG 3.28Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 2.68Å; V52-I81 HydrophobicContact CG1-CG2 4.22Å; V52-I81 HydrophobicContact CG2-CD1 4.46Å; V52-I81 HydrophobicContact CG2-CG2 4.3Å; V52-L84 HydrophobicContact CG1-CD2 3.9Å; V52-L85 HydrophobicContact CG1-CD2 4.19Å
53Q84.9Confident83.4Confident92 Ų9239.4 Ų39.443%0.4321%0.207SC..Hα-helixtrans-56.7-47.7173-77.8178.713.500111.5E49 L51 A57 L84E49-Q53 PolarHBondContact O-N 2.93Å; L51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-A57 WeakPolarHBondContact O-CB 3.47Å; Q53-A57 PolarHBondContact O-N 2.55Å; Q53-L84 HydrophobicContact CG-CD1 3.34Å; Q53-L84 HydrophobicContact CG-CD2 4.08Å; Q53-L84 HydrophobicContact CG-CG 4.32Å; Q53-L84 VanDerWaalsContact NE2-CD1 3.26Å
54Y82.1Confident82Confident12 Ų1243.3 Ų43.35%0.04724%0.24CC..Hα-helixtrans-61.4-45.8178.1176.5-93.6000112.4V18 R19 V22 E23 E50 L51 V52 A57 S58 R98V18-Y54 HydrophobicContact CG1-CD1 4.22Å; V18-Y54 HydrophobicContact CG1-CE1 3.97Å; R19-Y54 HydrophobicContact CG-CD2 4.1Å; R19-Y54 HydrophobicContact CG-CE1 4.06Å; R19-Y54 HydrophobicContact CG-CE2 3.43Å; R19-Y54 VanDerWaalsContact CG-CE2 3.43Å; R19-Y54 VanDerWaalsContact CG-CZ 3.44Å; V22-Y54 HydrophobicContact CG2-CE1 4.4Å; E23-Y54 PolarHBondContact OE1-OH 3.02Å; E50-Y54 WeakPolarHBondContact O-CB 3.27Å; E50-Y54 PolarHBondContact O-N 3.11Å; L51-Y54 HydrophobicContact CD1-CD1 4.41Å; L51-Y54 PolarHBondContact O-N 3.36Å; V52-Y54 VanDerWaalsContact C-N 3.32Å; V52-Y54 PolarHBondContact O-N 3.09Å; Y54-A57 CarbonylContact O-C 3.56Å; Y54-A57 PolarHBondContact O-N 3.31Å; Y54-S58 WeakPolarHBondContact CE1-OG 3.23Å; Y54-S58 VanDerWaalsContact O-CB 3.24Å; Y54-S58 WeakPolarHBondContact O-CB 3.39Å; Y54-S58 PolarHBondContact O-N 2.66Å; Y54-S58 PolarHBondContact O-OG 2.9Å; Y54-R98 VanDerWaalsContact CE2-NH2 3.32Å
55L84.3Confident80.6Confident0 Ų050.3 Ų50.30%028%0.277CS..Hα-helixtrans-64.6-45.4-178.9-74.4172.6000111.8V18 L29 L40 A43 L51 V52 S58 G59 A60V18-L55 HydrophobicContact CG1-CD2 4.02Å; L29-L55 HydrophobicContact CD1-CD2 4.28Å; L29-L55 HydrophobicContact CD2-CD2 3.45Å; L29-L55 VanDerWaalsContact CD2-CD2 3.45Å; L29-L55 HydrophobicContact CG-CD2 4.42Å; L40-L55 HydrophobicContact CD1-CB 3.94Å; L40-L55 HydrophobicContact CD1-CD1 4.29Å; A43-L55 HydrophobicContact CB-CD1 3.64Å; L51-L55 HydrophobicContact CD1-CD1 4.44Å; L51-L55 HydrophobicContact CD1-CG 4.26Å; L51-L55 HydrophobicContact CG-CD1 4.05Å; L51-L55 HydrophobicContact CG-CG 4.32Å; L51-L55 WeakPolarHBondContact O-CB 3.19Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.18Å; L51-L55 PolarHBondContact O-N 3.18Å; V52-L55 PolarHBondContact O-N 3.48Å; L55-S58 CarbonylContact O-C 3.54Å; L55-S58 PolarHBondContact O-N 2.74Å; L55-S58 VanDerWaalsContact O-N 3.09Å; L55-G59 PolarHBondContact O-N 3.31Å; L55-A60 HydrophobicContact CB-CB 4.1Å; L55-A60 WeakPolarHBondContact O-CB 3.35Å; L55-A60 PolarHBondContact O-N 3.24Å
56L81.5Confident79.5Confident1 Ų149 Ų491%0.00527%0.272CS..Hα-helixtrans-61.1-47.5174.9-69.3173.4000110.9L40 V52 S58 G59 C62 L84 L85 Y88L40-L56 HydrophobicContact CD1-CD2 4.05Å; L40-L56 HydrophobicContact CD1-CG 4.06Å; L40-L56 HydrophobicContact CD2-CD2 3.69Å; V52-L56 HydrophobicContact CG1-CD1 3.86Å; V52-L56 HydrophobicContact CG1-CG 4.31Å; V52-L56 WeakPolarHBondContact O-CB 3.27Å; V52-L56 VanDerWaalsContact O-CG 3.28Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 2.68Å; L56-S58 PolarHBondContact O-N 3.4Å; L56-S58 VanDerWaalsContact O-N 3.15Å; L56-G59 PolarHBondContact O-N 2.94Å; L56-C62 HydrophobicContact CD2-CB 3.63Å; L56-L84 HydrophobicContact CD1-CD2 3.39Å; L56-L85 HydrophobicContact CD1-CD2 3.91Å; L56-L85 HydrophobicContact CD2-CD2 4.27Å; L56-Y88 HydrophobicContact CB-CD1 4.27Å; L56-Y88 HydrophobicContact CB-CD2 4.18Å; L56-Y88 HydrophobicContact CB-CE1 3.9Å; L56-Y88 HydrophobicContact CB-CE2 3.83Å; L56-Y88 HydrophobicContact CB-CG 4.39Å; L56-Y88 HydrophobicContact CD1-CD1 4.31Å; L56-Y88 HydrophobicContact CD1-CD2 4.14Å; L56-Y88 HydrophobicContact CD1-CG 3.98Å; L56-Y88 HydrophobicContact CD2-CD1 3.93Å; L56-Y88 HydrophobicContact CD2-CE1 4.06Å; L56-Y88 HydrophobicContact CD2-CG 4.43Å; L56-Y88 HydrophobicContact CG-CD1 4.4Å; L56-Y88 HydrophobicContact CG-CE1 4.45Å; L56-Y88 PolarHBondContact O-OH 2.7Å
57A73.8Confident78.5Confident37 Ų3753.6 Ų53.631%0.30629%0.287SS..THydrogen-bonded Turntrans-68-6.8175.100000114.2Q53 Y54 M96Q53-A57 WeakPolarHBondContact O-CB 3.47Å; Q53-A57 PolarHBondContact O-N 2.55Å; Y54-A57 CarbonylContact O-C 3.56Å; Y54-A57 PolarHBondContact O-N 3.31Å; A57-M96 VanDerWaalsContact C-SD 3.56Å
58S71.8Confident77.5Confident13 Ų1354.7 Ų54.79%0.09129%0.29CS..THydrogen-bonded Turntrans-107.69.9174.2-54.10000111.7L29 Y54 L55 L56 R98L29-S58 WeakPolarHBondContact CD1-O 3.1Å; Y54-S58 WeakPolarHBondContact CE1-OG 3.23Å; Y54-S58 VanDerWaalsContact O-CB 3.24Å; Y54-S58 WeakPolarHBondContact O-CB 3.39Å; Y54-S58 PolarHBondContact O-N 2.66Å; Y54-S58 PolarHBondContact O-OG 2.9Å; L55-S58 CarbonylContact O-C 3.54Å; L55-S58 PolarHBondContact O-N 2.74Å; L55-S58 VanDerWaalsContact O-N 3.09Å; L56-S58 PolarHBondContact O-N 3.4Å; L56-S58 VanDerWaalsContact O-N 3.15Å; S58-R98 PolarHBondContact OG-NH2 3Å
59G70.6Confident76.6Confident26 Ų2652.1 Ų52.127%0.26828%0.279SS..THydrogen-bonded Turntrans91.720.6173.600000115.4N30 L55 L56 K61N30-G59 PolarHBondContact ND2-O 3.11Å; L55-G59 PolarHBondContact O-N 3.31Å; L56-G59 PolarHBondContact O-N 2.94Å; G59-K61 PolarHBondContact O-N 2.94Å
60A79.8Confident76Confident5 Ų551.4 Ų51.44%0.04128%0.275CS..  trans-64.2128.7168.900000110.7L40 L55 C62L40-A60 HydrophobicContact CB-CB 4.12Å; L40-A60 HydrophobicContact CD1-CB 4.35Å; L40-A60 HydrophobicContact CD2-CB 4.02Å; L40-A60 HydrophobicContact CG-CB 4.39Å; L55-A60 HydrophobicContact CB-CB 4.1Å; L55-A60 WeakPolarHBondContact O-CB 3.35Å; L55-A60 PolarHBondContact O-N 3.24Å; A60-C62 PolarHBondContact O-N 2.93Å
61K74.3Confident75.7Confident142 Ų14247.4 Ų47.462%0.61725%0.254SS*.  trans-70.9117.8-178.3-69.7173.5-176.6175.80110.2N30 G59N30-K61 HydrophobicContact CB-CD 4.34Å; N30-K61 WeakPolarHBondContact OD1-CB 3.4Å; N30-K61 WeakPolarHBondContact OD1-CG 3.28Å; N30-K61 PolarHBondContact OD1-N 3.22Å; G59-K61 PolarHBondContact O-N 2.94Å
62C72.7Confident75.4Confident7 Ų747.3 Ų47.35%0.04725%0.253CS..  trans-141.385.8171.9-174.10000109.8L40 L56 A60L40-C62 HydrophobicContact CD2-CB 3.7Å; L56-C62 HydrophobicContact CD2-CB 3.63Å; A60-C62 PolarHBondContact O-N 2.93Å
63E70.3Confident75Confident94 Ų9448 Ų4844%0.43926%0.258SS..  trans-97.7129.5178.5-69.8-177.4-17400110.9T66 G69E63-T66 HydrophobicContact CB-CG2 3.52Å; E63-T66 PolarHBondContact O-N 2.85Å; E63-T66 PolarHBondContact O-OG1 3.39Å; E63-G69 WeakPolarHBondContact O-CA 3.31Å
64A63.7Low74.8Confident82 Ų8251.7 Ų51.768%0.67827%0.269SS*.THydrogen-bonded Turntrans-61.7139.8175.300000111T66A64-T66 VanDerWaalsContact C-N 3.26Å; A64-T66 PolarHBondContact O-N 3.21Å
65N61.6Low74.7Confident147 Ų14752 Ų5279%0.78628%0.275SS*.THydrogen-bonded Turntrans67.214.4-174.4-41.4-70.2000115.8E70N65-E70 WeakPolarHBondContact CA-OE1 3.4Å; N65-E70 PolarHBondContact N-OE1 3.43Å
66T69.2Low74.8Confident43 Ų4352.4 Ų52.426%0.26428%0.278SS..SBendtrans-97.8154.7165.865.80000110.6E63 A64 D68 G69 E70E63-T66 HydrophobicContact CB-CG2 3.52Å; E63-T66 PolarHBondContact O-N 2.85Å; E63-T66 PolarHBondContact O-OG1 3.39Å; A64-T66 VanDerWaalsContact C-N 3.26Å; A64-T66 PolarHBondContact O-N 3.21Å; T66-D68 PolarHBondContact O-N 2.82Å; T66-G69 PolarHBondContact O-N 3.27Å; T66-G69 PolarHBondContact OG1-N 3.06Å; T66-G69 VanDerWaalsContact OG1-N 3.15Å; T66-E70 WeakPolarHBondContact O-CB 3.34Å; T66-E70 WeakPolarHBondContact O-CG 2.86Å; T66-E70 PolarHBondContact O-N 3.39Å
67F69.1Low75.1Confident144 Ų14457.8 Ų57.863%0.63231%0.306SS*.Hα-helixtrans-53.6-41.2178.2-177.6-100.8000112.1R71F67-R71 WeakPolarHBondContact O-CB 3.41Å; F67-R71 PolarHBondContact O-N 3.05Å; F67-R71 VanDerWaalsContact O-N 3.1Å
68D69.1Low75.7Confident34 Ų3459 Ų5918%0.18231%0.308CS..Hα-helixtrans-72.4-44.9-179-65.1-33000112.4R32 T66 R71 C72R32-D68 IonicContact CZ-OD2 3.09Å; R32-D68 IonicContact NH2-OD1 3.7Å; R32-D68 IonicContact NH2-OD2 2.96Å; R32-D68 PolarHBondContact NH2-OD2 2.8Å; T66-D68 PolarHBondContact O-N 2.82Å; D68-R71 PolarHBondContact O-N 2.8Å; D68-C72 PolarHBondContact O-N 3.01Å; D68-C72 PolarHBondContact O-SG 2.81Å
69G74.3Confident76.4Confident1 Ų163.5 Ų63.51%0.0133%0.331CS..Hα-helixtrans-65.7-44.5178.400000112.3E63 T66 R71 C72 V73E63-G69 WeakPolarHBondContact O-CA 3.31Å; T66-G69 PolarHBondContact O-N 3.27Å; T66-G69 PolarHBondContact OG1-N 3.06Å; T66-G69 VanDerWaalsContact OG1-N 3.15Å; G69-R71 VanDerWaalsContact C-N 3.34Å; G69-R71 PolarHBondContact O-N 3.39Å; G69-C72 PolarHBondContact O-N 3.43Å; G69-V73 VanDerWaalsContact O-CG2 3.3Å; G69-V73 WeakPolarHBondContact O-CG2 3.41Å; G69-V73 PolarHBondContact O-N 3.11Å
70E77.9Confident77.2Confident53 Ų5363.6 Ų63.625%0.24833%0.327CS..Hα-helixtrans-61.7-41.9175.5-68.1-55141.100110.9N65 T66 C72 V73 Y74N65-E70 WeakPolarHBondContact CA-OE1 3.4Å; N65-E70 PolarHBondContact N-OE1 3.43Å; T66-E70 WeakPolarHBondContact O-CB 3.34Å; T66-E70 WeakPolarHBondContact O-CG 2.86Å; T66-E70 PolarHBondContact O-N 3.39Å; E70-C72 PolarHBondContact O-N 2.91Å; E70-V73 PolarHBondContact O-N 2.8Å; E70-Y74 HydrophobicContact CB-CD2 4.05Å; E70-Y74 HydrophobicContact CB-CE2 3.97Å; E70-Y74 WeakPolarHBondContact O-CB 3.35Å; E70-Y74 WeakPolarHBondContact O-CD2 3.42Å; E70-Y74 PolarHBondContact O-N 3.37Å; E70-Y74 WeakPolarHBondContact OE2-CE2 3.3Å
71R78.9Confident77.4Confident61 Ų6163.3 Ų63.323%0.2333%0.325CS..Hα-helixtrans-60.5-41.3175.1-106.4173.358.7104.9-1.5113.2S37 Y41 F67 D68 G69 G75S37-R71 PolarHBondContact OG-NH2 3.38Å; Y41-R71 HydrophobicContact CD2-CB 4.17Å; Y41-R71 HydrophobicContact CE2-CB 4.33Å; Y41-R71 HydrophobicContact CE2-CG 4.49Å; F67-R71 WeakPolarHBondContact O-CB 3.41Å; F67-R71 PolarHBondContact O-N 3.05Å; F67-R71 VanDerWaalsContact O-N 3.1Å; D68-R71 PolarHBondContact O-N 2.8Å; G69-R71 VanDerWaalsContact C-N 3.34Å; G69-R71 PolarHBondContact O-N 3.39Å; R71-G75 WeakPolarHBondContact O-CA 3.41Å; R71-G75 PolarHBondContact O-N 3.28Å
72C83.4Confident77.9Confident0 Ų059.4 Ų59.40%031%0.307CS..Hα-helixtrans-65.5-41.7176.4-65.50000111D68 G69 E70 S76 L85D68-C72 PolarHBondContact O-N 3.01Å; D68-C72 PolarHBondContact O-SG 2.81Å; G69-C72 PolarHBondContact O-N 3.43Å; E70-C72 PolarHBondContact O-N 2.91Å; C72-S76 WeakPolarHBondContact O-CB 3.48Å; C72-S76 PolarHBondContact O-N 2.97Å; C72-L85 HydrophobicContact CB-CD1 4.01Å; C72-L85 HydrophobicContact CB-CD2 4.46Å; C72-L85 WeakPolarHBondContact O-CD1 3.3Å
73V82.1Confident78.4Confident15 Ų1566.3 Ų66.39%0.09133%0.332CS..Hα-helixtrans-65.7-52.6177.2174.30000110.5G69 E70 S76 R82 L85G69-V73 VanDerWaalsContact O-CG2 3.3Å; G69-V73 WeakPolarHBondContact O-CG2 3.41Å; G69-V73 PolarHBondContact O-N 3.11Å; E70-V73 PolarHBondContact O-N 2.8Å; V73-S76 PolarHBondContact O-N 3.46Å; V73-S76 PolarHBondContact O-OG 2.81Å; V73-R82 HydrophobicContact CG1-CG 3.97Å; V73-R82 PolarHBondContact O-NH1 2.89Å; V73-R82 PolarHBondContact O-NH2 3.31Å; V73-L85 HydrophobicContact CG2-CB 3.95Å; V73-L85 HydrophobicContact CG2-CD1 4.24Å
74Y80.6Confident79Confident169 Ų16963.5 Ų63.566%0.66332%0.319SS*.Hα-helixtrans-63.6-43.9179.5-73.7-62.8000112.4E70 S76 R82E70-Y74 HydrophobicContact CB-CD2 4.05Å; E70-Y74 HydrophobicContact CB-CE2 3.97Å; E70-Y74 WeakPolarHBondContact O-CB 3.35Å; E70-Y74 WeakPolarHBondContact O-CD2 3.42Å; E70-Y74 PolarHBondContact O-N 3.37Å; E70-Y74 WeakPolarHBondContact OE2-CE2 3.3Å; Y74-S76 VanDerWaalsContact C-N 3.28Å; Y74-S76 PolarHBondContact O-N 3.31Å; Y74-R82 PolarHBondContact O-NH2 3.22Å
75G79.6Confident79.7Confident18 Ų1859.9 Ų59.919%0.18629%0.289CS..Hα-helixtrans-75.8-7.1-179.400000115L45 R71 L77L45-G75 WeakPolarHBondContact CA-O 3.33Å; R71-G75 WeakPolarHBondContact O-CA 3.41Å; R71-G75 PolarHBondContact O-N 3.28Å; G75-L77 PolarHBondContact O-N 3.44Å
76S87.3Confident80.4Confident8 Ų859.3 Ų59.36%0.05628%0.279CS..  trans-61.4125.6178.359.80000112.2C44 C72 V73 Y74 R82C44-S76 WeakPolarHBondContact O-CA 3.39Å; C72-S76 WeakPolarHBondContact O-CB 3.48Å; C72-S76 PolarHBondContact O-N 2.97Å; V73-S76 PolarHBondContact O-N 3.46Å; V73-S76 PolarHBondContact O-OG 2.81Å; Y74-S76 VanDerWaalsContact C-N 3.28Å; Y74-S76 PolarHBondContact O-N 3.31Å; S76-R82 PolarHBondContact O-NH2 2.94Å; S76-R82 WeakPolarHBondContact OG-CB 3.41Å; S76-R82 PolarHBondContact OG-NH2 2.92Å
77L86.6Confident80.7Confident115 Ų11563.3 Ų63.360%0.60230%0.299SS*.SBendtrans-67.6-37.6178.5-168.969.3000112C44 G75C44-L77 PolarHBondContact O-N 2.83Å; G75-L77 PolarHBondContact O-N 3.44Å
78N87.4Confident80.5Confident62 Ų6260 Ų6033%0.33228%0.283SS..SBendtrans-112.4142-172.8-61.7-26.1000112.2G47 S80 I81 R82G47-N78 PolarHBondContact O-ND2 3.36Å; N78-S80 WeakPolarHBondContact CB-OG 3.45Å; N78-S80 PolarHBondContact O-N 2.92Å; N78-I81 HydrophobicContact CB-CB 4.5Å; N78-I81 HydrophobicContact CB-CD1 4.14Å; N78-I81 HydrophobicContact CB-CG1 4.22Å; N78-I81 PolarHBondContact O-N 3.05Å; N78-R82 PolarHBondContact O-N 2.93Å
79D85.9Confident80Confident108 Ų10866.6 Ų66.658%0.57831%0.31SS*.Hα-helixtrans-65-24.2173.9-75.5-33000113.2R82 R83D79-R82 IonicContact OD1-NE 2.71Å; D79-R83 WeakPolarHBondContact O-CB 3.2Å; D79-R83 WeakPolarHBondContact O-CG 3.46Å; D79-R83 PolarHBondContact O-N 3.45Å; D79-R83 PolarHBondContact O-NE 3.44Å
80S86.6Confident78.6Confident27 Ų2769.5 Ų69.519%0.18933%0.329CS..Hα-helixtrans-63.8-49.6171.954.90000111E49 N78 R82 R83 L84E49-S80 WeakPolarHBondContact OE2-CB 3.39Å; E49-S80 PolarHBondContact OE2-OG 3.29Å; N78-S80 WeakPolarHBondContact CB-OG 3.45Å; N78-S80 PolarHBondContact O-N 2.92Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 2.92Å; S80-R83 PolarHBondContact O-N 3.19Å; S80-L84 VanDerWaalsContact O-CB 3.32Å; S80-L84 WeakPolarHBondContact O-CB 3.42Å; S80-L84 PolarHBondContact O-N 2.88Å
81I85.2Confident76.8Confident0 Ų072.6 Ų72.60%035%0.351CS..Hα-helixtrans-60.9-41.7174.9-64.7171.5000110.6C44 G47 E49 V52 N78 R83 L84 L85C44-I81 HydrophobicContact CB-CG2 4.32Å; G47-I81 VanDerWaalsContact C-CD1 3.46Å; E49-I81 HydrophobicContact CB-CD1 4.24Å; E49-I81 HydrophobicContact CB-CG1 3.91Å; E49-I81 HydrophobicContact CG-CG1 4.1Å; V52-I81 HydrophobicContact CG1-CG2 4.22Å; V52-I81 HydrophobicContact CG2-CD1 4.46Å; V52-I81 HydrophobicContact CG2-CG2 4.3Å; N78-I81 HydrophobicContact CB-CB 4.5Å; N78-I81 HydrophobicContact CB-CD1 4.14Å; N78-I81 HydrophobicContact CB-CG1 4.22Å; N78-I81 PolarHBondContact O-N 3.05Å; I81-R83 PolarHBondContact O-N 2.89Å; I81-L84 WeakPolarHBondContact O-CB 3.23Å; I81-L84 PolarHBondContact O-N 3.21Å; I81-L85 HydrophobicContact CG2-CD1 3.85Å; I81-L85 HydrophobicContact CG2-CG 4.22Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.3Å; I81-L85 PolarHBondContact O-N 3.27Å
82R85.1Confident74.5Confident60 Ų6073 Ų7323%0.22636%0.364CS..Hα-helixtrans-61.6-42177.2-164.6-178.6-64.5-83-13.3112.6V73 Y74 S76 N78 D79 S80 K86V73-R82 HydrophobicContact CG1-CG 3.97Å; V73-R82 PolarHBondContact O-NH1 2.89Å; V73-R82 PolarHBondContact O-NH2 3.31Å; Y74-R82 PolarHBondContact O-NH2 3.22Å; S76-R82 PolarHBondContact O-NH2 2.94Å; S76-R82 WeakPolarHBondContact OG-CB 3.41Å; S76-R82 PolarHBondContact OG-NH2 2.92Å; N78-R82 PolarHBondContact O-N 2.93Å; D79-R82 IonicContact OD1-NE 2.71Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 2.92Å; R82-K86 WeakPolarHBondContact O-CB 3.38Å; R82-K86 VanDerWaalsContact O-CG 3.29Å; R82-K86 WeakPolarHBondContact O-CG 3.43Å; R82-K86 PolarHBondContact O-N 2.83Å
83R83.6Confident72.2Confident152 Ų15279.6 Ų79.657%0.57440%0.404SS*.Hα-helixtrans-64.9-46.6173.5-80.4178.6-101.8128.2-5.7110.4D79 S80 I81 L85 K86 D87D79-R83 WeakPolarHBondContact O-CB 3.2Å; D79-R83 WeakPolarHBondContact O-CG 3.46Å; D79-R83 PolarHBondContact O-N 3.45Å; D79-R83 PolarHBondContact O-NE 3.44Å; S80-R83 PolarHBondContact O-N 3.19Å; I81-R83 PolarHBondContact O-N 2.89Å; R83-L85 PolarHBondContact O-N 3.08Å; R83-K86 PolarHBondContact O-N 3.38Å; R83-K86 VanDerWaalsContact O-N 3.1Å; R83-D87 WeakPolarHBondContact O-CB 3.29Å; R83-D87 PolarHBondContact O-N 3.06Å
84L82.3Confident69.9Low34 Ų3487.3 Ų87.318%0.17843%0.431CS..Hα-helixtrans-55.6-48.5178.3-164.8130.2000112.4V52 Q53 L56 S80 I81 K86 D87 Y88V52-L84 HydrophobicContact CG1-CD2 3.9Å; Q53-L84 HydrophobicContact CG-CD1 3.34Å; Q53-L84 HydrophobicContact CG-CD2 4.08Å; Q53-L84 HydrophobicContact CG-CG 4.32Å; Q53-L84 VanDerWaalsContact NE2-CD1 3.26Å; L56-L84 HydrophobicContact CD1-CD2 3.39Å; S80-L84 VanDerWaalsContact O-CB 3.32Å; S80-L84 WeakPolarHBondContact O-CB 3.42Å; S80-L84 PolarHBondContact O-N 2.88Å; I81-L84 WeakPolarHBondContact O-CB 3.23Å; I81-L84 PolarHBondContact O-N 3.21Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 3.02Å; L84-D87 PolarHBondContact O-N 3.15Å; L84-Y88 WeakPolarHBondContact O-CB 3.26Å; L84-Y88 PolarHBondContact O-N 2.86Å
85L78.5Confident67.6Low7 Ų782.8 Ų82.84%0.03743%0.429CS..Hα-helixtrans-65.6-33.4177.6-67167.1000113.2V52 L56 C72 V73 I81 R83V52-L85 HydrophobicContact CG1-CD2 4.19Å; L56-L85 HydrophobicContact CD1-CD2 3.91Å; L56-L85 HydrophobicContact CD2-CD2 4.27Å; C72-L85 HydrophobicContact CB-CD1 4.01Å; C72-L85 HydrophobicContact CB-CD2 4.46Å; C72-L85 WeakPolarHBondContact O-CD1 3.3Å; V73-L85 HydrophobicContact CG2-CB 3.95Å; V73-L85 HydrophobicContact CG2-CD1 4.24Å; I81-L85 HydrophobicContact CG2-CD1 3.85Å; I81-L85 HydrophobicContact CG2-CG 4.22Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.3Å; I81-L85 PolarHBondContact O-N 3.27Å; R83-L85 PolarHBondContact O-N 3.08Å
86K75.8Confident65.6Low134 Ų13486.8 Ų86.858%0.58344%0.444SS*.Hα-helixtrans-77-35.2177.7-75.1177.9177.9-173.70112.6R82 R83 L84 Y88R82-K86 WeakPolarHBondContact O-CB 3.38Å; R82-K86 VanDerWaalsContact O-CG 3.29Å; R82-K86 WeakPolarHBondContact O-CG 3.43Å; R82-K86 PolarHBondContact O-N 2.83Å; R83-K86 PolarHBondContact O-N 3.38Å; R83-K86 VanDerWaalsContact O-N 3.1Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 3.02Å; K86-Y88 VanDerWaalsContact C-N 3.34Å
87D74.8Confident63.5Low128 Ų12892.9 Ų92.968%0.68447%0.471SS*.Hα-helixtrans-77.1-26.4177.1-66.7-21.5000111R83 L84 K89R83-D87 WeakPolarHBondContact O-CB 3.29Å; R83-D87 PolarHBondContact O-N 3.06Å; L84-D87 PolarHBondContact O-N 3.15Å; D87-K89 PolarHBondContact O-N 2.92Å
88Y66.2Low61.7Low74 Ų7492.2 Ų92.229%0.2946%0.461SS..  trans-70.373.2171.1-153.1-97.1000110.8L56 L84 K86 C90L56-Y88 HydrophobicContact CB-CD1 4.27Å; L56-Y88 HydrophobicContact CB-CD2 4.18Å; L56-Y88 HydrophobicContact CB-CE1 3.9Å; L56-Y88 HydrophobicContact CB-CE2 3.83Å; L56-Y88 HydrophobicContact CB-CG 4.39Å; L56-Y88 HydrophobicContact CD1-CD1 4.31Å; L56-Y88 HydrophobicContact CD1-CD2 4.14Å; L56-Y88 HydrophobicContact CD1-CG 3.98Å; L56-Y88 HydrophobicContact CD2-CD1 3.93Å; L56-Y88 HydrophobicContact CD2-CE1 4.06Å; L56-Y88 HydrophobicContact CD2-CG 4.43Å; L56-Y88 HydrophobicContact CG-CD1 4.4Å; L56-Y88 HydrophobicContact CG-CE1 4.45Å; L56-Y88 PolarHBondContact O-OH 2.7Å; L84-Y88 WeakPolarHBondContact O-CB 3.26Å; L84-Y88 PolarHBondContact O-N 2.86Å; K86-Y88 VanDerWaalsContact C-N 3.34Å; Y88-C90 PolarHBondContact O-N 3.09Å; Y88-C90 VanDerWaalsContact O-N 3.15Å
89K57.1Low60.5Low173 Ų17392.3 Ų92.375%0.75246%0.461SS*.  trans-66.2112161.8-69.8-178.9-178.6173.20106D87 V91D87-K89 PolarHBondContact O-N 2.92Å; K89-V91 VanDerWaalsContact C-N 3.3Å; K89-V91 WeakPolarHBondContact O-CG2 3.31Å; K89-V91 PolarHBondContact O-N 2.87Å
90C45.6Very low59.6Low61 Ų6190.2 Ų90.241%0.41245%0.45SS..  trans-43.995.8173-176.20000109.8Y88Y88-C90 PolarHBondContact O-N 3.09Å; Y88-C90 VanDerWaalsContact O-N 3.15Å
91V39.7Very low59.3Low118 Ų11889 Ų8972%0.71544%0.441SS*.  trans-86.7112.9167.41780000103.8K89K89-V91 VanDerWaalsContact C-N 3.3Å; K89-V91 WeakPolarHBondContact O-CG2 3.31Å; K89-V91 PolarHBondContact O-N 2.87Å
92S32Very low59Low71 Ų7190.2 Ų90.250%0.49745%0.448SS..  trans86.5107.5174.2-167.90000117.4R94S92-R94 PolarHBondContact O-N 3.31Å; S92-R94 WeakPolarHBondContact OG-CA 3.36Å; S92-R94 WeakPolarHBondContact OG-CB 3.46Å; S92-R94 PolarHBondContact OG-N 3.05Å; S92-R94 PolarHBondContact OG-O 3.28Å
93V35.1Very low58.6Low138 Ų13894 Ų9484%0.83646%0.463SS*.SBendtrans-69.4-1.8160.6176.20000112
94R32.2Very low58.6Low177 Ų17787.4 Ų87.467%0.66844%0.439SS*.SBendtrans-98.7112.8163.6-78.7179.5171.6178.1-5.1107.8S92 M96 T232S92-R94 PolarHBondContact O-N 3.31Å; S92-R94 WeakPolarHBondContact OG-CA 3.36Å; S92-R94 WeakPolarHBondContact OG-CB 3.46Å; S92-R94 PolarHBondContact OG-N 3.05Å; S92-R94 PolarHBondContact OG-O 3.28Å; R94-M96 PolarHBondContact O-N 3.24Å; R94-T232 VanDerWaalsContact NH1-CG2 3.33Å
95A33.7Very low58.9Low74 Ų7485.8 Ų85.861%0.61243%0.43SS*.  trans-24.4127.1171.200000111.7Q97A95-Q97 HydrophobicContact CB-CG 4.35Å; A95-Q97 PolarHBondContact O-N 3.29Å
96M37.3Very low59.2Low101 Ų10188.6 Ų88.650%0.49844%0.443SS..  trans-60.866141.3-83.2172.3151.200107.6A57 R94 R98A57-M96 VanDerWaalsContact C-SD 3.56Å; R94-M96 PolarHBondContact O-N 3.24Å; M96-R98 PolarHBondContact O-N 2.95Å; M96-R98 VanDerWaalsContact O-N 3.11Å
97Q43.3Very low59.4Low136 Ų13684.5 Ų84.564%0.63643%0.427SS*.  trans-61.9104.6136.2-88.1-177.9-21.400102.2A95 N99A95-Q97 HydrophobicContact CB-CG 4.35Å; A95-Q97 PolarHBondContact O-N 3.29Å; Q97-N99 PolarHBondContact O-N 2.8Å
98R49.5Very low60.1Low101 Ų10178.8 Ų78.838%0.38140%0.396SS..  trans-54.997.6160.3-72.2176.9179167.93.6104.4E23 Y54 S58 M96 D100E23-R98 IonicContact OE1-CZ 3.32Å; E23-R98 IonicContact OE1-NH1 2.86Å; E23-R98 PolarHBondContact OE1-NH1 3.24Å; Y54-R98 VanDerWaalsContact CE2-NH2 3.32Å; S58-R98 PolarHBondContact OG-NH2 3Å; M96-R98 PolarHBondContact O-N 2.95Å; M96-R98 VanDerWaalsContact O-N 3.11Å; R98-D100 VanDerWaalsContact C-N 3.28Å; R98-D100 PolarHBondContact O-N 3.22Å
99N61.4Low61.2Low64 Ų6476.7 Ų76.734%0.34239%0.39SS..  trans-62.1105.2166.8-76.2-3.2000103.8Q97 F101 N102 Y103Q97-N99 PolarHBondContact O-N 2.8Å; N99-F101 PolarHBondContact O-N 3.11Å; N99-N102 HydrophobicContact CB-CB 4.17Å; N99-N102 PolarHBondContact ND2-ND2 3.41Å; N99-N102 PolarHBondContact O-N 2.8Å; N99-Y103 PolarHBondContact O-N 3.25Å; N99-Y103 VanDerWaalsContact O-N 3.14Å
100D66.1Low62.5Low64 Ų6475.2 Ų75.234%0.34239%0.386SS..Hα-helixtrans-47.9-31.2-177.4-64.9-40.9000110.7R98 F104 R365R98-D100 VanDerWaalsContact C-N 3.28Å; R98-D100 PolarHBondContact O-N 3.22Å; D100-F104 WeakPolarHBondContact O-CB 3.45Å; D100-F104 PolarHBondContact O-N 3.41Å; D100-R365 IonicContact OD2-CZ 2.96Å; D100-R365 IonicContact OD2-NH1 3.61Å; D100-R365 IonicContact OD2-NH2 3.16Å; D100-R365 PolarHBondContact OD2-NH2 2.99Å
101F80.9Confident64.4Low1 Ų177.4 Ų77.40%0.00439%0.39CS..Hα-helixtrans-69.3-44.8175-171.7-111.2000115.7N99 Y103 F104 L105 Q236 M239 Y336 D338N99-F101 PolarHBondContact O-N 3.11Å; F101-Y103 VanDerWaalsContact C-N 3.29Å; F101-Y103 PolarHBondContact O-N 3.32Å; F101-F104 AromaticContact CD2-CD1 3.9Å; F101-F104 HydrophobicContact CD2-CD1 3.9Å; F101-F104 HydrophobicContact CD2-CE1 4.41Å; F101-F104 AromaticContact CE2-CD1 3.98Å; F101-F104 HydrophobicContact CE2-CD1 3.98Å; F101-F104 HydrophobicContact CE2-CE1 4.04Å; F101-F104 WeakPolarHBondContact O-CB 3.13Å; F101-F104 PolarHBondContact O-N 3.34Å; F101-L105 HydrophobicContact CD1-CD1 4Å; F101-L105 HydrophobicContact CE1-CD1 3.46Å; F101-L105 VanDerWaalsContact CE1-CD1 3.46Å; F101-L105 HydrophobicContact CE1-CG 4.32Å; F101-L105 HydrophobicContact CE2-CD1 4.43Å; F101-L105 HydrophobicContact CZ-CD1 3.68Å; F101-L105 HydrophobicContact CZ-CD2 4.46Å; F101-L105 HydrophobicContact CZ-CG 4.2Å; F101-L105 WeakPolarHBondContact O-CG 3.34Å; F101-L105 PolarHBondContact O-N 2.65Å; F101-Q236 HydrophobicContact CD1-CG 4.38Å; F101-Q236 HydrophobicContact CE1-CG 4.32Å; F101-M239 HydrophobicContact CE1-CG 4.44Å; F101-M239 HydrophobicContact CZ-CB 4.32Å; F101-M239 HydrophobicContact CZ-CG 4.19Å; F101-Y336 WeakPolarHBondContact CE2-O 3.28Å; F101-Y336 WeakPolarHBondContact CZ-O 3.27Å; F101-D338 HydrophobicContact CB-CB 3.51Å; F101-D338 WeakPolarHBondContact CB-OD2 3.2Å; F101-D338 HydrophobicContact CD1-CB 4.33Å; F101-D338 HydrophobicContact CD2-CB 4.14Å; F101-D338 HydrophobicContact CG-CB 3.76Å
102N78.8Confident66.6Low27 Ų2772.2 Ų72.214%0.14436%0.36CS..Hα-helixtrans-65.1-38.3175.7-77.7-34.4000111.1N99 L105 H106 L235N99-N102 HydrophobicContact CB-CB 4.17Å; N99-N102 PolarHBondContact ND2-ND2 3.41Å; N99-N102 PolarHBondContact O-N 2.8Å; N102-L105 PolarHBondContact O-N 3.01Å; N102-H106 WeakPolarHBondContact O-CB 3.13Å; N102-H106 PolarHBondContact O-N 2.88Å; N102-L235 WeakPolarHBondContact OD1-CD2 3.36Å
103Y76.5Confident69.2Low138 Ų13872 Ų7254%0.54135%0.352SS..Hα-helixtrans-63.8-45.1173.5179.5-103.3000111.1N99 F101 L105 H106 M107N99-Y103 PolarHBondContact O-N 3.25Å; N99-Y103 VanDerWaalsContact O-N 3.14Å; F101-Y103 VanDerWaalsContact C-N 3.29Å; F101-Y103 PolarHBondContact O-N 3.32Å; Y103-L105 PolarHBondContact O-N 3.5Å; Y103-H106 WeakPolarHBondContact O-CB 3.29Å; Y103-H106 PolarHBondContact O-N 3.27Å; Y103-M107 HydrophobicContact CD1-CG 4.12Å; Y103-M107 HydrophobicContact CD2-CG 4.33Å; Y103-M107 HydrophobicContact CE1-CG 3.66Å; Y103-M107 HydrophobicContact CE2-CG 3.9Å; Y103-M107 HydrophobicContact CE2-SD 3.94Å; Y103-M107 HydrophobicContact CG-CG 4.44Å; Y103-M107 VanDerWaalsContact O-CG 3.32Å; Y103-M107 WeakPolarHBondContact O-CG 3.29Å; Y103-M107 PolarHBondContact O-N 3.49Å
104F85Confident71.7Confident15 Ų1569 Ų697%0.06633%0.328CS..Hα-helixtrans-54.6-50.4173.1151.5-105.7000112D100 F101 H106 M107 L108 F287 R291D100-F104 WeakPolarHBondContact O-CB 3.45Å; D100-F104 PolarHBondContact O-N 3.41Å; F101-F104 AromaticContact CD2-CD1 3.9Å; F101-F104 HydrophobicContact CD2-CD1 3.9Å; F101-F104 HydrophobicContact CD2-CE1 4.41Å; F101-F104 AromaticContact CE2-CD1 3.98Å; F101-F104 HydrophobicContact CE2-CD1 3.98Å; F101-F104 HydrophobicContact CE2-CE1 4.04Å; F101-F104 WeakPolarHBondContact O-CB 3.13Å; F101-F104 PolarHBondContact O-N 3.34Å; F104-H106 VanDerWaalsContact C-N 3.32Å; F104-H106 PolarHBondContact O-N 3.27Å; F104-M107 CarbonylContact O-C 3.56Å; F104-M107 PolarHBondContact O-N 3.36Å; F104-M107 VanDerWaalsContact O-N 3.17Å; F104-L108 HydrophobicContact CE2-CB 4.24Å; F104-L108 HydrophobicContact CE2-CD2 4.27Å; F104-L108 HydrophobicContact CZ-CD2 3.87Å; F104-L108 WeakPolarHBondContact O-CB 3.48Å; F104-L108 PolarHBondContact O-N 3.3Å; F104-F287 AromaticContact CE1-CD1 3.74Å; F104-F287 HydrophobicContact CE1-CD1 3.74Å; F104-F287 AromaticContact CE1-CE1 3.95Å; F104-F287 HydrophobicContact CE1-CE1 3.95Å; F104-F287 HydrophobicContact CE1-CG 4.5Å; F104-F287 HydrophobicContact CZ-CB 4.44Å; F104-F287 AromaticContact CZ-CD1 3.81Å; F104-F287 HydrophobicContact CZ-CD1 3.81Å; F104-F287 HydrophobicContact CZ-CE1 4.27Å; F104-F287 HydrophobicContact CZ-CG 4.12Å; F104-R291 HydrophobicContact CD1-CG 3.99Å; F104-R291 HydrophobicContact CD2-CG 3.94Å; F104-R291 HydrophobicContact CE1-CG 3.99Å; F104-R291 HydrophobicContact CE2-CG 3.99Å; F104-R291 VanDerWaalsContact CG-CD 3.43Å; F104-R291 HydrophobicContact CG-CG 3.96Å; F104-R291 HydrophobicContact CZ-CG 4.01Å
105L88.3Confident74.6Confident0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-64.3-37.4-179-70.8173.4000112.3F101 N102 Y103 L108 L109 Y174 L235 F287F101-L105 HydrophobicContact CD1-CD1 4Å; F101-L105 HydrophobicContact CE1-CD1 3.46Å; F101-L105 VanDerWaalsContact CE1-CD1 3.46Å; F101-L105 HydrophobicContact CE1-CG 4.32Å; F101-L105 HydrophobicContact CE2-CD1 4.43Å; F101-L105 HydrophobicContact CZ-CD1 3.68Å; F101-L105 HydrophobicContact CZ-CD2 4.46Å; F101-L105 HydrophobicContact CZ-CG 4.2Å; F101-L105 WeakPolarHBondContact O-CG 3.34Å; F101-L105 PolarHBondContact O-N 2.65Å; N102-L105 PolarHBondContact O-N 3.01Å; Y103-L105 PolarHBondContact O-N 3.5Å; L105-L108 HydrophobicContact CD2-CD2 4.4Å; L105-L108 PolarHBondContact O-N 2.92Å; L105-L109 PolarHBondContact O-N 2.95Å; L105-Y174 VanDerWaalsContact CB-O 3.32Å; L105-Y174 WeakPolarHBondContact CB-O 3.26Å; L105-Y174 WeakPolarHBondContact CD1-O 3.48Å; L105-Y174 WeakPolarHBondContact O-CD1 3.49Å; L105-L235 HydrophobicContact CD1-CD1 4.3Å; L105-L235 HydrophobicContact CD1-CD2 3.89Å; L105-L235 HydrophobicContact CD1-CG 4.3Å; L105-F287 HydrophobicContact CD2-CE1 4.12Å; L105-F287 HydrophobicContact CD2-CZ 4.3Å
106H83.7Confident77.4Confident66 Ų6661 Ų6131%0.30629%0.291SS..Hα-helixtrans-59.9-50.3171.5175.4-86.2000111.4N102 Y103 F104 L108 L109 E110 T175N102-H106 WeakPolarHBondContact O-CB 3.13Å; N102-H106 PolarHBondContact O-N 2.88Å; Y103-H106 WeakPolarHBondContact O-CB 3.29Å; Y103-H106 PolarHBondContact O-N 3.27Å; F104-H106 VanDerWaalsContact C-N 3.32Å; F104-H106 PolarHBondContact O-N 3.27Å; H106-L108 VanDerWaalsContact C-N 3.28Å; H106-L108 PolarHBondContact O-N 3.27Å; H106-L109 PolarHBondContact O-N 3.46Å; H106-E110 PolarHBondContact O-N 2.93Å; H106-T175 HydrophobicContact CB-CG2 3.83Å
107M80.7Confident80.2Confident47 Ų4756.2 Ų56.223%0.23227%0.267CS..Hα-helixtrans-64.3-33.8178.8-67.6-50.5-59.300112.4Y103 F104 L109 E110 Q111Y103-M107 HydrophobicContact CD1-CG 4.12Å; Y103-M107 HydrophobicContact CD2-CG 4.33Å; Y103-M107 HydrophobicContact CE1-CG 3.66Å; Y103-M107 HydrophobicContact CE2-CG 3.9Å; Y103-M107 HydrophobicContact CE2-SD 3.94Å; Y103-M107 HydrophobicContact CG-CG 4.44Å; Y103-M107 VanDerWaalsContact O-CG 3.32Å; Y103-M107 WeakPolarHBondContact O-CG 3.29Å; Y103-M107 PolarHBondContact O-N 3.49Å; F104-M107 CarbonylContact O-C 3.56Å; F104-M107 PolarHBondContact O-N 3.36Å; F104-M107 VanDerWaalsContact O-N 3.17Å; M107-L109 VanDerWaalsContact C-N 3.35Å; M107-L109 PolarHBondContact O-N 2.84Å; M107-E110 PolarHBondContact O-N 3.22Å; M107-Q111 HydrophobicContact CE-CG 3.97Å; M107-Q111 VanDerWaalsContact O-CB 3.32Å; M107-Q111 WeakPolarHBondContact O-CB 3.4Å; M107-Q111 WeakPolarHBondContact O-CG 3.33Å; M107-Q111 PolarHBondContact O-N 3.3Å
108L89.2Confident82.7Confident8 Ų854.2 Ų54.24%0.04226%0.257CS..Hα-helixtrans-62.5-41.6176.7-178.363.8000111.6F104 L105 H106 G112 H129 Y174 A286F104-L108 HydrophobicContact CE2-CB 4.24Å; F104-L108 HydrophobicContact CE2-CD2 4.27Å; F104-L108 HydrophobicContact CZ-CD2 3.87Å; F104-L108 WeakPolarHBondContact O-CB 3.48Å; F104-L108 PolarHBondContact O-N 3.3Å; L105-L108 HydrophobicContact CD2-CD2 4.4Å; L105-L108 PolarHBondContact O-N 2.92Å; H106-L108 VanDerWaalsContact C-N 3.28Å; H106-L108 PolarHBondContact O-N 3.27Å; L108-G112 WeakPolarHBondContact O-CA 3.49Å; L108-G112 PolarHBondContact O-N 3.14Å; L108-H129 VanDerWaalsContact CG-CE1 3.49Å; L108-H129 WeakPolarHBondContact CG-CE1 3.42Å; L108-Y174 HydrophobicContact CD2-CD1 4.43Å; L108-Y174 HydrophobicContact CD2-CE1 4.02Å; L108-Y174 HydrophobicContact CG-CE1 4.13Å; L108-A286 HydrophobicContact CD1-CB 3.89Å; L108-A286 HydrophobicContact CD2-CB 4.38Å
109L89.8Confident85Confident31 Ų3149.4 Ų49.416%0.16224%0.239CC..Hα-helixtrans-68.6-49.2174.3177.960.9000111.9L105 H106 M107 G112 L170 Q171 Y174L105-L109 PolarHBondContact O-N 2.95Å; H106-L109 PolarHBondContact O-N 3.46Å; M107-L109 VanDerWaalsContact C-N 3.35Å; M107-L109 PolarHBondContact O-N 2.84Å; L109-G112 PolarHBondContact O-N 2.66Å; L109-L170 HydrophobicContact CD1-CB 4.36Å; L109-L170 HydrophobicContact CD2-CB 4.35Å; L109-Q171 HydrophobicContact CD2-CB 4.37Å; L109-Y174 HydrophobicContact CB-CD1 3.84Å; L109-Y174 HydrophobicContact CB-CD2 4.1Å; L109-Y174 HydrophobicContact CB-CE1 4.2Å; L109-Y174 HydrophobicContact CB-CE2 4.45Å; L109-Y174 HydrophobicContact CB-CG 3.78Å; L109-Y174 HydrophobicContact CD1-CD2 3.95Å; L109-Y174 HydrophobicContact CD1-CE2 3.79Å; L109-Y174 HydrophobicContact CD1-CG 4.5Å; L109-Y174 HydrophobicContact CD2-CD2 4.01Å; L109-Y174 HydrophobicContact CD2-CG 4.23Å; L109-Y174 HydrophobicContact CG-CD2 4.24Å; L109-Y174 HydrophobicContact CG-CG 4.39Å
110E84.9Confident86.6Confident142 Ų14248.7 Ų48.766%0.66424%0.235SC*.Hα-helixtrans-61.9-46.2-177-82-81.7131.800112.5H106 M107H106-E110 PolarHBondContact O-N 2.93Å; M107-E110 PolarHBondContact O-N 3.22Å
111Q84Confident88Confident106 Ų10645.7 Ų45.750%0.49522%0.218SC..Hα-helixtrans-82.1-26.1-178.2-61.7-177.6-3.300112.5M107 Q113M107-Q111 HydrophobicContact CE-CG 3.97Å; M107-Q111 VanDerWaalsContact O-CB 3.32Å; M107-Q111 WeakPolarHBondContact O-CB 3.4Å; M107-Q111 WeakPolarHBondContact O-CG 3.33Å; M107-Q111 PolarHBondContact O-N 3.3Å; Q111-Q113 HydrophobicContact CB-CG 4.01Å; Q111-Q113 PolarHBondContact O-N 3.3Å; Q111-Q113 VanDerWaalsContact OE1-CD 3.27Å
112G86.1Confident88.4Confident10 Ų1050.1 Ų50.110%0.10324%0.239CC..  trans61.225.2-179.700000114.3L108 L109 S115L108-G112 WeakPolarHBondContact O-CA 3.49Å; L108-G112 PolarHBondContact O-N 3.14Å; L109-G112 PolarHBondContact O-N 2.66Å; G112-S115 VanDerWaalsContact O-CB 3.29Å; G112-S115 WeakPolarHBondContact O-CB 3.13Å; G112-S115 PolarHBondContact O-N 3.4Å; G112-S115 PolarHBondContact O-OG 2.8Å
113Q86.2Confident88.8Confident66 Ų6651.9 Ų51.931%0.30826%0.264SS..THydrogen-bonded Turntrans-62.6132.5178.6-71-177.8-7.800110.4Q111 S115 H129Q111-Q113 HydrophobicContact CB-CG 4.01Å; Q111-Q113 PolarHBondContact O-N 3.3Å; Q111-Q113 VanDerWaalsContact OE1-CD 3.27Å; Q113-S115 PolarHBondContact O-N 3.37Å; Q113-H129 PolarHBondContact O-NE2 2.84Å
114H89.2Confident89.6Confident74 Ų7450.2 Ų50.234%0.34326%0.261SS..THydrogen-bonded Turntrans59.621.9-175.9-53-71.9000115.1D116 A286 C289H114-D116 PolarHBondContact O-N 3.23Å; H114-A286 HydrophobicContact CB-CB 4.12Å; H114-C289 PolarHBondContact NE2-SG 3.44Å
115S92.9Very high90.1Very high33 Ų3355.3 Ų55.323%0.23129%0.286CS..  trans-61.7128.4173.551.90000112.6G112 Q113 A128 H129G112-S115 VanDerWaalsContact O-CB 3.29Å; G112-S115 WeakPolarHBondContact O-CB 3.13Å; G112-S115 PolarHBondContact O-N 3.4Å; G112-S115 PolarHBondContact O-OG 2.8Å; Q113-S115 PolarHBondContact O-N 3.37Å; S115-A128 VanDerWaalsContact CB-O 3.3Å; S115-A128 WeakPolarHBondContact CB-O 3.32Å; S115-H129 PolarHBondContact N-NE2 2.96Å
116D92.5Very high90.4Very high50 Ų5057.3 Ų57.327%0.26730%0.295SS..  trans-102.4-4.3-178.965.7-11.4000112.8H114 A128 H129 R130H114-D116 PolarHBondContact O-N 3.23Å; D116-A128 PolarHBondContact N-O 3.3Å; D116-H129 VanDerWaalsContact OD1-CA 3.24Å; D116-H129 WeakPolarHBondContact OD1-CA 3.48Å; D116-R130 WeakPolarHBondContact OD1-CG 3.33Å; D116-R130 PolarHBondContact OD1-N 3.37Å; D116-R130 VanDerWaalsContact OD2-CB 3.26Å; D116-R130 WeakPolarHBondContact OD2-CB 3.32Å; D116-R130 WeakPolarHBondContact OD2-CD 3.4Å; D116-R130 WeakPolarHBondContact OD2-CG 3.43Å; D116-R130 PolarHBondContact OD2-N 3.03Å; D116-R130 IonicContact OD2-NE 3.89Å
117V95.1Very high90.9Very high1 Ų155.5 Ų55.51%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-144.7142.417666.20000112.3F119 A128 R130 F144 I154V117-F119 HydrophobicContact CG1-CE2 3.94Å; V117-F119 HydrophobicContact CG1-CZ 4.44Å; V117-F119 HydrophobicContact CG2-CE2 4.06Å; V117-F119 HydrophobicContact CG2-CZ 4.08Å; V117-A128 HydrophobicContact CG1-CB 4.11Å; V117-A128 WeakPolarHBondContact CG1-O 3.19Å; V117-A128 PolarHBondContact N-O 3.08Å; V117-A128 PolarHBondContact O-N 3.37Å; V117-A128 VanDerWaalsContact O-O 3.09Å; V117-R130 HydrophobicContact CB-CG 4.22Å; V117-R130 HydrophobicContact CG1-CG 4.05Å; V117-F144 HydrophobicContact CG1-CZ 4.33Å; V117-F144 HydrophobicContact CG2-CE1 4.1Å; V117-I154 HydrophobicContact CG2-CD1 3.48Å; V117-I154 VanDerWaalsContact CG2-CD1 3.48Å; V117-I154 HydrophobicContact CG2-CG1 4.26Å
118K96.4Very high91.7Very high95 Ų9553.3 Ų53.341%0.41328%0.281SS..EExtended strand (participates in β ladder)trans-126.1133.1174.9-62.2-177.5-178.2-1780110.5M125 F126 N152 L153 I154K118-M125 HydrophobicContact CD-CE 4.01Å; K118-F126 CarbonylContact C-O 3.37Å; K118-F126 VanDerWaalsContact CA-O 3.32Å; K118-F126 WeakPolarHBondContact CA-O 3.28Å; K118-N152 PolarHBondContact N-O 3.42Å; K118-L153 HydrophobicContact CB-CD1 4.03Å; K118-L153 WeakPolarHBondContact O-CA 3.23Å; K118-I154 PolarHBondContact O-N 3.38Å
119F96.3Very high91.9Very high0 Ų053 Ų530%028%0.28CS..EExtended strand (participates in β ladder)trans-104.2124.9175.4-62.6-87.6000110.2V117 V121 M125 F126 A128 L133 F140 F144 W148 I154 L156 F166V117-F119 HydrophobicContact CG1-CE2 3.94Å; V117-F119 HydrophobicContact CG1-CZ 4.44Å; V117-F119 HydrophobicContact CG2-CE2 4.06Å; V117-F119 HydrophobicContact CG2-CZ 4.08Å; F119-V121 HydrophobicContact CB-CG2 4.25Å; F119-M125 CarbonylContact O-C 3.56Å; F119-M125 WeakPolarHBondContact O-CA 3.43Å; F119-F126 HydrophobicContact CB-CB 4.36Å; F119-F126 PolarHBondContact N-O 3.11Å; F119-F126 PolarHBondContact O-N 2.92Å; F119-A128 HydrophobicContact CD2-CB 4.44Å; F119-A128 HydrophobicContact CE2-CB 4.13Å; F119-L133 HydrophobicContact CE2-CD1 3.8Å; F119-L133 HydrophobicContact CZ-CD1 4.02Å; F119-F140 HydrophobicContact CE1-CE1 4.01Å; F119-F140 HydrophobicContact CZ-CD1 4.23Å; F119-F140 AromaticContact CZ-CE1 3.68Å; F119-F140 HydrophobicContact CZ-CE1 3.68Å; F119-F144 HydrophobicContact CZ-CE1 4.26Å; F119-F144 HydrophobicContact CZ-CZ 4.12Å; F119-W148 HydrophobicContact CE1-CE3 4.44Å; F119-W148 HydrophobicContact CE1-CH2 4.05Å; F119-W148 AromaticContact CE1-CZ3 3.92Å; F119-W148 HydrophobicContact CE1-CZ3 3.92Å; F119-W148 HydrophobicContact CZ-CZ3 4.43Å; F119-I154 CarbonylContact C-O 3.54Å; F119-I154 WeakPolarHBondContact CA-O 3.49Å; F119-I154 HydrophobicContact CD1-CB 3.77Å; F119-I154 HydrophobicContact CD1-CD1 4.13Å; F119-I154 HydrophobicContact CD1-CG2 3.78Å; F119-I154 HydrophobicContact CE1-CB 3.98Å; F119-I154 HydrophobicContact CE1-CD1 3.48Å; F119-I154 VanDerWaalsContact CE1-CD1 3.48Å; F119-I154 HydrophobicContact CE1-CG1 4.35Å; F119-I154 HydrophobicContact CE1-CG2 3.93Å; F119-I154 HydrophobicContact CZ-CD1 3.89Å; F119-L156 HydrophobicContact CD1-CD1 4.16Å; F119-F166 HydrophobicContact CB-CE1 3.77Å; F119-F166 HydrophobicContact CB-CZ 3.91Å; F119-F166 AromaticContact CD1-CZ 3.97Å; F119-F166 HydrophobicContact CD1-CZ 3.97Å; F119-F166 HydrophobicContact CD2-CE1 4.31Å; F119-F166 HydrophobicContact CD2-CZ 4.03Å; F119-F166 HydrophobicContact CG-CE1 4.02Å; F119-F166 AromaticContact CG-CZ 3.7Å; F119-F166 HydrophobicContact CG-CZ 3.7Å
120L95.8Very high92.1Very high49 Ų4952.2 Ų52.226%0.25727%0.274SS..EExtended strand (participates in β ladder)trans-101.4102.617218065.8000108.8Q124 M125 L153 I154 T155 L156L120-Q124 CarbonylContact C-O 3.16Å; L120-Q124 WeakPolarHBondContact CA-O 3.42Å; L120-M125 HydrophobicContact CD1-CG 3.82Å; L120-L153 HydrophobicContact CB-CD1 4.26Å; L120-I154 PolarHBondContact N-O 3.49Å; L120-T155 HydrophobicContact CB-CG2 4.28Å; L120-T155 HydrophobicContact CD2-CG2 4Å; L120-T155 HydrophobicContact CG-CG2 4.26Å; L120-T155 WeakPolarHBondContact O-CA 3.42Å; L120-L156 PolarHBondContact O-N 3.25Å
121V94.9Very high92.5Very high0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-111.9108.9-177-168.70000109.1F119 G123 Q124 F126 L156 I161 P163 F166F119-V121 HydrophobicContact CB-CG2 4.25Å; V121-G123 PolarHBondContact O-N 3.37Å; V121-Q124 PolarHBondContact N-O 3.13Å; V121-Q124 PolarHBondContact O-N 3.02Å; V121-F126 HydrophobicContact CB-CD2 4.36Å; V121-F126 HydrophobicContact CB-CE2 4.04Å; V121-F126 HydrophobicContact CG2-CD2 3.97Å; V121-F126 HydrophobicContact CG2-CE2 4.09Å; V121-L156 HydrophobicContact CG2-CB 4.2Å; V121-L156 HydrophobicContact CG2-CD1 4.03Å; V121-L156 HydrophobicContact CG2-CG 4.46Å; V121-I161 HydrophobicContact CG1-CG2 3.63Å; V121-P163 HydrophobicContact CG1-CB 4.33Å; V121-P163 HydrophobicContact CG1-CG 4.13Å; V121-F166 HydrophobicContact CG2-CD1 3.7Å; V121-F166 HydrophobicContact CG2-CE1 3.88Å; V121-F166 HydrophobicContact CG2-CG 4.11Å; V121-F166 HydrophobicContact CG2-CZ 4.46Å
122H90.7Very high92.9Very high94 Ų9440.6 Ų40.644%0.43522%0.22SC..THydrogen-bonded Turntrans4438.5-177.6-60.2-65.5000115.2H158 I161 P163H122-H158 PolarHBondContact CE1-O 3.24Å; H122-H158 PolarHBondContact NE2-O 3.48Å; H122-I161 PolarHBondContact CD2-O 3.36Å; H122-I161 PolarHBondContact NE2-O 2.96Å; H122-P163 HydrophobicContact CB-CG 3.96Å
123G87.4Confident93.2Very high65 Ų6540.1 Ų40.167%0.6722%0.215SC*.THydrogen-bonded Turntrans94.4-9.2178.500000115.3V121V121-G123 PolarHBondContact O-N 3.37Å
124Q93Very high93.5Very high103 Ų10337.1 Ų37.148%0.48120%0.202SC..EExtended strand (participates in β ladder)trans-93.1137.8172.2-65.8-174-9.800111L120 V121 F126 P163L120-Q124 CarbonylContact C-O 3.16Å; L120-Q124 WeakPolarHBondContact CA-O 3.42Å; V121-Q124 PolarHBondContact N-O 3.13Å; V121-Q124 PolarHBondContact O-N 3.02Å; Q124-F126 HydrophobicContact CB-CE2 3.7Å; Q124-F126 HydrophobicContact CB-CZ 4.1Å; Q124-P163 HydrophobicContact CB-CB 4.41Å; Q124-P163 HydrophobicContact CG-CB 4.39Å
125M94.1Very high93.5Very high122 Ų12234.1 Ų34.160%0.60119%0.19SC*.EExtended strand (participates in β ladder)trans-103.4130.2-179.7-69.6-173.565.900110.7K118 F119 L120K118-M125 HydrophobicContact CD-CE 4.01Å; F119-M125 CarbonylContact O-C 3.56Å; F119-M125 WeakPolarHBondContact O-CA 3.43Å; L120-M125 HydrophobicContact CD1-CG 3.82Å
126F95Very high93.2Very high41 Ų4133.8 Ų33.818%0.1818%0.184CC..EExtended strand (participates in β ladder)trans-121.9119.8175.6-59.2-91.7000109K118 F119 V121 Q124 P163 F166 L170K118-F126 CarbonylContact C-O 3.37Å; K118-F126 VanDerWaalsContact CA-O 3.32Å; K118-F126 WeakPolarHBondContact CA-O 3.28Å; F119-F126 HydrophobicContact CB-CB 4.36Å; F119-F126 PolarHBondContact N-O 3.11Å; F119-F126 PolarHBondContact O-N 2.92Å; V121-F126 HydrophobicContact CB-CD2 4.36Å; V121-F126 HydrophobicContact CB-CE2 4.04Å; V121-F126 HydrophobicContact CG2-CD2 3.97Å; V121-F126 HydrophobicContact CG2-CE2 4.09Å; Q124-F126 HydrophobicContact CB-CE2 3.7Å; Q124-F126 HydrophobicContact CB-CZ 4.1Å; F126-P163 HydrophobicContact CE2-CB 4.42Å; F126-P163 HydrophobicContact CZ-CB 4.35Å; F126-P163 WeakPolarHBondContact CZ-O 3.41Å; F126-F166 HydrophobicContact CB-CE1 4.13Å; F126-F166 HydrophobicContact CD1-CD1 4.48Å; F126-F166 AromaticContact CD2-CD1 3.84Å; F126-F166 HydrophobicContact CD2-CD1 3.84Å; F126-F166 HydrophobicContact CD2-CE1 4.06Å; F126-F166 HydrophobicContact CE2-CD1 4.11Å; F126-F166 HydrophobicContact CG-CD1 4.04Å; F126-F166 HydrophobicContact CG-CE1 4.09Å; F126-L170 HydrophobicContact CB-CD1 3.7Å; F126-L170 HydrophobicContact CD1-CD1 4.1Å; F126-L170 HydrophobicContact CG-CD1 4.09Å
127A95.4Very high93.1Very high29 Ų2931.7 Ų31.724%0.2417%0.173CC..EExtended strand (participates in β ladder)trans-85.3141.7172.100000109.6
128A95.9Very high92.8Very high0 Ų038 Ų380%020%0.202CC..EExtended strand (participates in β ladder)trans-153.3174.2177.600000111.2S115 D116 V117 F119 L133S115-A128 VanDerWaalsContact CB-O 3.3Å; S115-A128 WeakPolarHBondContact CB-O 3.32Å; D116-A128 PolarHBondContact N-O 3.3Å; V117-A128 HydrophobicContact CG1-CB 4.11Å; V117-A128 WeakPolarHBondContact CG1-O 3.19Å; V117-A128 PolarHBondContact N-O 3.08Å; V117-A128 PolarHBondContact O-N 3.37Å; V117-A128 VanDerWaalsContact O-O 3.09Å; F119-A128 HydrophobicContact CD2-CB 4.44Å; F119-A128 HydrophobicContact CE2-CB 4.13Å; A128-L133 HydrophobicContact CB-CD1 3.95Å
129H94.7Very high92.6Very high3 Ų335.1 Ų35.11%0.01419%0.189CC..  trans-114.9126.4-179.7-52.286.3000109.2L108 Q113 S115 D116 C131 V132 L133 Y174L108-H129 VanDerWaalsContact CG-CE1 3.49Å; L108-H129 WeakPolarHBondContact CG-CE1 3.42Å; Q113-H129 PolarHBondContact O-NE2 2.84Å; S115-H129 PolarHBondContact N-NE2 2.96Å; D116-H129 VanDerWaalsContact OD1-CA 3.24Å; D116-H129 WeakPolarHBondContact OD1-CA 3.48Å; H129-C131 VanDerWaalsContact C-N 3.29Å; H129-C131 PolarHBondContact O-N 2.9Å; H129-V132 HydrophobicContact CB-CB 4.42Å; H129-V132 HydrophobicContact CB-CG2 4.11Å; H129-V132 PolarHBondContact O-N 3.49Å; H129-L133 WeakPolarHBondContact O-CG 3.19Å; H129-L133 PolarHBondContact O-N 3.36Å; H129-Y174 WeakPolarHBondContact CB-OH 3.27Å; H129-Y174 PolarHBondContact N-OH 3.38Å; H129-Y174 AromaticContact ND1-CE1 3.55Å; H129-Y174 AromaticContact ND1-CZ 3.57Å; H129-Y174 PolarHBondContact ND1-OH 3.19Å
130R93.9Very high92.5Very high13 Ų1335.3 Ų35.35%0.04919%0.19CC..Hα-helixtrans-60.5-40.4178.7-65.8170.2-166.6-111.5-3.4111.7D116 V117 V132 L133 S134 F144 K151 N152 Y269D116-R130 WeakPolarHBondContact OD1-CG 3.33Å; D116-R130 PolarHBondContact OD1-N 3.37Å; D116-R130 VanDerWaalsContact OD2-CB 3.26Å; D116-R130 WeakPolarHBondContact OD2-CB 3.32Å; D116-R130 WeakPolarHBondContact OD2-CD 3.4Å; D116-R130 WeakPolarHBondContact OD2-CG 3.43Å; D116-R130 PolarHBondContact OD2-N 3.03Å; D116-R130 IonicContact OD2-NE 3.89Å; V117-R130 HydrophobicContact CB-CG 4.22Å; V117-R130 HydrophobicContact CG1-CG 4.05Å; R130-V132 PolarHBondContact O-N 2.91Å; R130-L133 PolarHBondContact O-N 3.2Å; R130-S134 VanDerWaalsContact O-CB 3.25Å; R130-S134 WeakPolarHBondContact O-CB 3.39Å; R130-S134 PolarHBondContact O-N 3.36Å; R130-S134 PolarHBondContact O-OG 3.22Å; R130-F144 HydrophobicContact CB-CD2 4.31Å; R130-F144 HydrophobicContact CB-CE2 4.07Å; R130-F144 HydrophobicContact CB-CZ 4.49Å; R130-F144 HydrophobicContact CG-CD1 4.41Å; R130-F144 HydrophobicContact CG-CD2 4.23Å; R130-F144 HydrophobicContact CG-CE1 4.18Å; R130-F144 HydrophobicContact CG-CE2 3.97Å; R130-F144 HydrophobicContact CG-CG 4.46Å; R130-F144 HydrophobicContact CG-CZ 3.96Å; R130-K151 PolarHBondContact NH2-O 3.28Å; R130-N152 PolarHBondContact NH2-OD1 2.99Å; R130-Y269 HydrophobicContact CB-CD2 3.46Å; R130-Y269 VanDerWaalsContact CB-CD2 3.46Å; R130-Y269 HydrophobicContact CB-CE2 3.82Å; R130-Y269 HydrophobicContact CB-CG 3.96Å; R130-Y269 HydrophobicContact CG-CD2 4.34Å; R130-Y269 HydrophobicContact CG-CE2 4.48Å
131C91.9Very high92.2Very high4 Ų433.9 Ų33.93%0.02718%0.183CC..Hα-helixtrans-55.6-47.8-179.659.70000112.2H129 A135 L242 T268 H284H129-C131 VanDerWaalsContact C-N 3.29Å; H129-C131 PolarHBondContact O-N 2.9Å; C131-A135 VanDerWaalsContact O-CB 3.31Å; C131-A135 WeakPolarHBondContact O-CB 3.46Å; C131-A135 PolarHBondContact O-N 3.13Å; C131-L242 HydrophobicContact CB-CD2 4.05Å; C131-T268 VanDerWaalsContact CB-O 3.24Å; C131-T268 WeakPolarHBondContact CB-O 3.44Å; C131-H284 WeakPolarHBondContact CB-NE2 3.17Å
132V92.8Very high92.1Very high0 Ų038.1 Ų38.10%020%0.203CC..Hα-helixtrans-64.9-45.1178.4177.80000111.3H129 R130 R136 Y174 M239 F287H129-V132 HydrophobicContact CB-CB 4.42Å; H129-V132 HydrophobicContact CB-CG2 4.11Å; H129-V132 PolarHBondContact O-N 3.49Å; R130-V132 PolarHBondContact O-N 2.91Å; V132-R136 WeakPolarHBondContact O-CG 3.39Å; V132-R136 PolarHBondContact O-N 3.25Å; V132-Y174 HydrophobicContact CB-CE1 4.31Å; V132-Y174 HydrophobicContact CB-CE2 4.46Å; V132-Y174 HydrophobicContact CG1-CD1 4.22Å; V132-Y174 HydrophobicContact CG1-CD2 4.08Å; V132-Y174 HydrophobicContact CG1-CE1 4.06Å; V132-Y174 HydrophobicContact CG1-CE2 3.9Å; V132-Y174 HydrophobicContact CG1-CG 4.24Å; V132-Y174 HydrophobicContact CG2-CE1 4.04Å; V132-M239 HydrophobicContact CG1-CE 4.06Å; V132-F287 HydrophobicContact CG2-CE2 4.03Å; V132-F287 HydrophobicContact CG2-CZ 4.01Å
133L93.3Very high92.1Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-68.9-38.7-178.7-65.5178.1000112.4F119 A128 H129 R130 R136 S137 F140 F144 L170 F173F119-L133 HydrophobicContact CE2-CD1 3.8Å; F119-L133 HydrophobicContact CZ-CD1 4.02Å; A128-L133 HydrophobicContact CB-CD1 3.95Å; H129-L133 WeakPolarHBondContact O-CG 3.19Å; H129-L133 PolarHBondContact O-N 3.36Å; R130-L133 PolarHBondContact O-N 3.2Å; L133-R136 PolarHBondContact O-N 2.91Å; L133-S137 WeakPolarHBondContact O-CB 3.4Å; L133-S137 PolarHBondContact O-N 3.39Å; L133-F140 HydrophobicContact CB-CB 4Å; L133-F140 HydrophobicContact CB-CD1 4.27Å; L133-F140 HydrophobicContact CB-CD2 4.35Å; L133-F140 HydrophobicContact CB-CG 3.95Å; L133-F140 HydrophobicContact CD1-CD1 3.98Å; L133-F140 HydrophobicContact CD1-CE1 4.04Å; L133-F140 HydrophobicContact CD1-CG 4.45Å; L133-F140 HydrophobicContact CD2-CE2 4.49Å; L133-F144 HydrophobicContact CB-CE2 4.13Å; L133-F144 HydrophobicContact CD1-CE2 4.4Å; L133-F144 HydrophobicContact CD1-CZ 4.03Å; L133-L170 HydrophobicContact CD2-CD2 3.77Å; L133-F173 HydrophobicContact CD2-CB 4.1Å; L133-F173 HydrophobicContact CD2-CD2 3.69Å; L133-F173 HydrophobicContact CD2-CE2 4.24Å; L133-F173 HydrophobicContact CD2-CG 3.89Å
134S91.5Very high92.4Very high4 Ų431.6 Ų31.63%0.02816%0.155CC..Hα-helixtrans-71.4-36.2178.5-84.40000112.7R130 R136 T141R130-S134 VanDerWaalsContact O-CB 3.25Å; R130-S134 WeakPolarHBondContact O-CB 3.39Å; R130-S134 PolarHBondContact O-N 3.36Å; R130-S134 PolarHBondContact O-OG 3.22Å; S134-R136 PolarHBondContact O-N 3.12Å; S134-T141 VanDerWaalsContact CA-OG1 3.28Å; S134-T141 WeakPolarHBondContact CA-OG1 3.45Å; S134-T141 WeakPolarHBondContact CB-OG1 3.48Å; S134-T141 PolarHBondContact O-OG1 3.38Å; S134-T141 PolarHBondContact OG-OG1 3.36Å
135A89.2Confident92.3Very high11 Ų1131.7 Ų31.79%0.09116%0.156CC..Hα-helixtrans-62.8-31.3174.500000112.7C131 L242 F266C131-A135 VanDerWaalsContact O-CB 3.31Å; C131-A135 WeakPolarHBondContact O-CB 3.46Å; C131-A135 PolarHBondContact O-N 3.13Å; A135-L242 HydrophobicContact CB-CD1 4.5Å; A135-L242 HydrophobicContact CB-CD2 4.16Å; A135-L242 HydrophobicContact CB-CG 4.2Å; A135-F266 HydrophobicContact CB-CE1 4.23Å; A135-F266 HydrophobicContact CB-CE2 3.83Å; A135-F266 HydrophobicContact CB-CZ 3.5Å
136R88.4Confident92.2Very high26 Ų2630.2 Ų30.210%0.09815%0.154CC..Hα-helixtrans-107.9-5.8-172.2-59.7-161.575173.15.9115V132 L133 S134 Y172 F173 L235 E238 M239V132-R136 WeakPolarHBondContact O-CG 3.39Å; V132-R136 PolarHBondContact O-N 3.25Å; L133-R136 PolarHBondContact O-N 2.91Å; S134-R136 PolarHBondContact O-N 3.12Å; R136-Y172 PolarHBondContact NH1-O 3.42Å; R136-F173 HydrophobicContact CB-CD1 3.49Å; R136-F173 VanDerWaalsContact CB-CD1 3.49Å; R136-F173 HydrophobicContact CB-CE1 3.82Å; R136-F173 WeakPolarHBondContact CD-O 3.5Å; R136-F173 HydrophobicContact CG-CD1 4.43Å; R136-F173 VanDerWaalsContact NH1-C 3.33Å; R136-F173 PolarHBondContact NH1-O 3.49Å; R136-L235 VanDerWaalsContact NH1-CD1 3.29Å; R136-E238 IonicContact CZ-OE2 2.7Å; R136-E238 IonicContact NE-OE2 3.43Å; R136-E238 PolarHBondContact NE-OE2 3Å; R136-E238 IonicContact NH2-OE2 3.17Å; R136-E238 PolarHBondContact NH2-OE2 3.44Å; R136-M239 HydrophobicContact CG-CE 3.85Å
137S90.4Very high92Very high5 Ų535.3 Ų35.34%0.03518%0.176CC..  trans-153.9116.3-178.31800000113L133 Y139 F140 T141 C195L133-S137 WeakPolarHBondContact O-CB 3.4Å; L133-S137 PolarHBondContact O-N 3.39Å; S137-Y139 PolarHBondContact O-N 3.5Å; S137-Y139 PolarHBondContact OG-N 2.88Å; S137-F140 PolarHBondContact O-N 3.01Å; S137-F140 VanDerWaalsContact O-N 3.15Å; S137-T141 PolarHBondContact O-N 3.3Å; S137-C195 PolarHBondContact OG-O 2.92Å
138E88.6Confident91.9Very high133 Ų13335 Ų3562%0.62117%0.169SC*.Hα-helixtrans-55.2-34.8170.9-63.6-178.7177.200112.6F140 T141 E142 K196E138-F140 PolarHBondContact O-N 3.27Å; E138-T141 WeakPolarHBondContact O-CB 3.32Å; E138-T141 PolarHBondContact O-N 3.32Å; E138-E142 WeakPolarHBondContact O-CG 3.47Å; E138-E142 PolarHBondContact O-N 3.12Å; E138-K196 HydrophobicContact CB-CD 4.32Å; E138-K196 IonicContact OE2-NZ 3.43Å
139Y91.9Very high91.7Very high35 Ų3542.4 Ų42.414%0.13720%0.201CC..Hα-helixtrans-61.5-45.9178.6171.1-102.3000111.7S137 T141 E142 M143 W148 Q194S137-Y139 PolarHBondContact O-N 3.5Å; S137-Y139 PolarHBondContact OG-N 2.88Å; Y139-T141 VanDerWaalsContact C-N 3.34Å; Y139-E142 PolarHBondContact O-N 3.15Å; Y139-M143 HydrophobicContact CD1-CG 4.4Å; Y139-M143 HydrophobicContact CD2-CG 3.99Å; Y139-M143 HydrophobicContact CE1-CG 4.01Å; Y139-M143 HydrophobicContact CE2-CG 3.56Å; Y139-M143 HydrophobicContact CE2-SD 4Å; Y139-M143 HydrophobicContact CG-CG 4.39Å; Y139-M143 VanDerWaalsContact O-CB 3.31Å; Y139-M143 WeakPolarHBondContact O-CB 3.33Å; Y139-M143 WeakPolarHBondContact O-CG 3.38Å; Y139-M143 PolarHBondContact O-N 3.26Å; Y139-W148 HydrophobicContact CE1-CH2 4.21Å; Y139-Q194 VanDerWaalsContact CD2-O 3.29Å; Y139-Q194 WeakPolarHBondContact CD2-O 3.48Å; Y139-Q194 HydrophobicContact CE1-CG 4.47Å; Y139-Q194 HydrophobicContact CE2-CG 4.15Å; Y139-Q194 PolarHBondContact OH-NE2 3.18Å
140F92.9Very high91.3Very high4 Ų445.7 Ų45.72%0.01824%0.235CC..Hα-helixtrans-65.8-41.4178.5-82-77.8000111F119 L133 S137 E138 M143 F144 W148 F173F119-F140 HydrophobicContact CE1-CE1 4.01Å; F119-F140 HydrophobicContact CZ-CD1 4.23Å; F119-F140 AromaticContact CZ-CE1 3.68Å; F119-F140 HydrophobicContact CZ-CE1 3.68Å; L133-F140 HydrophobicContact CB-CB 4Å; L133-F140 HydrophobicContact CB-CD1 4.27Å; L133-F140 HydrophobicContact CB-CD2 4.35Å; L133-F140 HydrophobicContact CB-CG 3.95Å; L133-F140 HydrophobicContact CD1-CD1 3.98Å; L133-F140 HydrophobicContact CD1-CE1 4.04Å; L133-F140 HydrophobicContact CD1-CG 4.45Å; L133-F140 HydrophobicContact CD2-CE2 4.49Å; S137-F140 PolarHBondContact O-N 3.01Å; S137-F140 VanDerWaalsContact O-N 3.15Å; E138-F140 PolarHBondContact O-N 3.27Å; F140-M143 PolarHBondContact O-N 2.98Å; F140-F144 HydrophobicContact CB-CD2 4.26Å; F140-F144 HydrophobicContact CB-CE2 3.84Å; F140-F144 HydrophobicContact CD1-CE2 4.05Å; F140-F144 AromaticContact CD1-CZ 3.87Å; F140-F144 HydrophobicContact CD1-CZ 3.87Å; F140-F144 HydrophobicContact CG-CE2 4.39Å; F140-F144 WeakPolarHBondContact O-CB 3.49Å; F140-F144 WeakPolarHBondContact O-CD2 3.49Å; F140-F144 VanDerWaalsContact O-CG 3.27Å; F140-F144 WeakPolarHBondContact O-CG 3.31Å; F140-F144 PolarHBondContact O-N 3.04Å; F140-W148 AromaticContact CD1-CZ3 3.77Å; F140-W148 HydrophobicContact CD1-CZ3 3.77Å; F140-W148 HydrophobicContact CE1-CH2 4.28Å; F140-W148 AromaticContact CE1-CZ3 3.88Å; F140-W148 HydrophobicContact CE1-CZ3 3.88Å; F140-F173 HydrophobicContact CD2-CE2 4.21Å; F140-F173 HydrophobicContact CD2-CZ 4.06Å; F140-F173 AromaticContact CE2-CE2 3.59Å; F140-F173 HydrophobicContact CE2-CE2 3.59Å; F140-F173 AromaticContact CE2-CZ 3.83Å; F140-F173 HydrophobicContact CE2-CZ 3.83Å; F140-F173 HydrophobicContact CZ-CE2 4.47Å
141T91Very high91.2Very high19 Ų1950.3 Ų50.312%0.11726%0.256CS..Hα-helixtrans-53.6-56.3172.4-68.70000112.2S134 S137 E138 Y139 M143 F144 E145 F266 P267S134-T141 VanDerWaalsContact CA-OG1 3.28Å; S134-T141 WeakPolarHBondContact CA-OG1 3.45Å; S134-T141 WeakPolarHBondContact CB-OG1 3.48Å; S134-T141 PolarHBondContact O-OG1 3.38Å; S134-T141 PolarHBondContact OG-OG1 3.36Å; S137-T141 PolarHBondContact O-N 3.3Å; E138-T141 WeakPolarHBondContact O-CB 3.32Å; E138-T141 PolarHBondContact O-N 3.32Å; Y139-T141 VanDerWaalsContact C-N 3.34Å; T141-M143 VanDerWaalsContact C-N 3.29Å; T141-M143 PolarHBondContact O-N 3.43Å; T141-F144 PolarHBondContact O-N 3.48Å; T141-E145 WeakPolarHBondContact O-CG 3.26Å; T141-E145 PolarHBondContact O-N 3.43Å; T141-F266 HydrophobicContact CG2-CB 3.9Å; T141-P267 HydrophobicContact CG2-CG 4.3Å
142E91.4Very high91.2Very high90 Ų9055.5 Ų55.542%0.42128%0.283SS..Hα-helixtrans-58.5-40.9178.4-73.5175.2-18000112.2E138 Y139 E145 T146 K196E138-E142 WeakPolarHBondContact O-CG 3.47Å; E138-E142 PolarHBondContact O-N 3.12Å; Y139-E142 PolarHBondContact O-N 3.15Å; E142-E145 PolarHBondContact O-N 3.38Å; E142-T146 WeakPolarHBondContact O-CB 3.42Å; E142-T146 WeakPolarHBondContact O-CG2 3.4Å; E142-T146 PolarHBondContact O-N 3.09Å; E142-T146 PolarHBondContact O-OG1 2.91Å; E142-K196 IonicContact OE1-NZ 3.26Å; E142-K196 PolarHBondContact OE1-NZ 2.88Å; E142-K196 IonicContact OE2-NZ 2.59Å; E142-K196 PolarHBondContact OE2-NZ 3.35Å
143M92.3Very high91.3Very high21 Ų2159.8 Ų59.810%0.10331%0.306CS..Hα-helixtrans-72.1-38.3-176.3-72.4-69.2-64.100112.6Y139 F140 T141 E145 T146 K147 W148Y139-M143 HydrophobicContact CD1-CG 4.4Å; Y139-M143 HydrophobicContact CD2-CG 3.99Å; Y139-M143 HydrophobicContact CE1-CG 4.01Å; Y139-M143 HydrophobicContact CE2-CG 3.56Å; Y139-M143 HydrophobicContact CE2-SD 4Å; Y139-M143 HydrophobicContact CG-CG 4.39Å; Y139-M143 VanDerWaalsContact O-CB 3.31Å; Y139-M143 WeakPolarHBondContact O-CB 3.33Å; Y139-M143 WeakPolarHBondContact O-CG 3.38Å; Y139-M143 PolarHBondContact O-N 3.26Å; F140-M143 PolarHBondContact O-N 2.98Å; T141-M143 VanDerWaalsContact C-N 3.29Å; T141-M143 PolarHBondContact O-N 3.43Å; M143-E145 VanDerWaalsContact C-N 3.29Å; M143-E145 PolarHBondContact O-N 3.21Å; M143-T146 CarbonylContact O-C 3.5Å; M143-T146 PolarHBondContact O-N 3.46Å; M143-K147 HydrophobicContact CE-CB 3.96Å; M143-K147 HydrophobicContact CE-CD 3.83Å; M143-K147 HydrophobicContact CE-CG 4.4Å; M143-K147 PolarHBondContact O-N 2.9Å; M143-K147 HydrophobicContact SD-CB 4.49Å; M143-K147 HydrophobicContact SD-CD 4.05Å; M143-W148 HydrophobicContact CB-CD2 3.9Å; M143-W148 HydrophobicContact CB-CE3 3.43Å; M143-W148 VanDerWaalsContact CB-CE3 3.43Å; M143-W148 HydrophobicContact CB-CH2 4.21Å; M143-W148 HydrophobicContact CB-CZ3 3.61Å; M143-W148 HydrophobicContact CE-CD2 3.88Å; M143-W148 HydrophobicContact CE-CE3 4.36Å; M143-W148 HydrophobicContact CE-CG 4.47Å; M143-W148 HydrophobicContact CE-CH2 3.96Å; M143-W148 HydrophobicContact CE-CZ2 3.4Å; M143-W148 VanDerWaalsContact CE-CZ2 3.4Å; M143-W148 HydrophobicContact CE-CZ3 4.4Å; M143-W148 HydrophobicContact CG-CE3 4.46Å; M143-W148 HydrophobicContact CG-CH2 4.44Å; M143-W148 HydrophobicContact CG-CZ3 4.28Å; M143-W148 WeakPolarHBondContact O-CB 3.18Å; M143-W148 PolarHBondContact O-N 2.9Å
144F93.1Very high91.4Very high1 Ų160 Ų600%0.00431%0.307CS..Hα-helixtrans-67.3-30.1174.9-66.7-45.6000112.5V117 F119 R130 L133 F140 T141 W148 K149 I154 Y269V117-F144 HydrophobicContact CG1-CZ 4.33Å; V117-F144 HydrophobicContact CG2-CE1 4.1Å; F119-F144 HydrophobicContact CZ-CE1 4.26Å; F119-F144 HydrophobicContact CZ-CZ 4.12Å; R130-F144 HydrophobicContact CB-CD2 4.31Å; R130-F144 HydrophobicContact CB-CE2 4.07Å; R130-F144 HydrophobicContact CB-CZ 4.49Å; R130-F144 HydrophobicContact CG-CD1 4.41Å; R130-F144 HydrophobicContact CG-CD2 4.23Å; R130-F144 HydrophobicContact CG-CE1 4.18Å; R130-F144 HydrophobicContact CG-CE2 3.97Å; R130-F144 HydrophobicContact CG-CG 4.46Å; R130-F144 HydrophobicContact CG-CZ 3.96Å; L133-F144 HydrophobicContact CB-CE2 4.13Å; L133-F144 HydrophobicContact CD1-CE2 4.4Å; L133-F144 HydrophobicContact CD1-CZ 4.03Å; F140-F144 HydrophobicContact CB-CD2 4.26Å; F140-F144 HydrophobicContact CB-CE2 3.84Å; F140-F144 HydrophobicContact CD1-CE2 4.05Å; F140-F144 AromaticContact CD1-CZ 3.87Å; F140-F144 HydrophobicContact CD1-CZ 3.87Å; F140-F144 HydrophobicContact CG-CE2 4.39Å; F140-F144 WeakPolarHBondContact O-CB 3.49Å; F140-F144 WeakPolarHBondContact O-CD2 3.49Å; F140-F144 VanDerWaalsContact O-CG 3.27Å; F140-F144 WeakPolarHBondContact O-CG 3.31Å; F140-F144 PolarHBondContact O-N 3.04Å; T141-F144 PolarHBondContact O-N 3.48Å; F144-W148 HydrophobicContact CD1-CB 4.15Å; F144-W148 AromaticContact CD1-CE3 3.83Å; F144-W148 HydrophobicContact CD1-CE3 3.83Å; F144-W148 AromaticContact CE1-CE3 3.77Å; F144-W148 HydrophobicContact CE1-CE3 3.77Å; F144-W148 HydrophobicContact CE1-CZ3 4.33Å; F144-K149 WeakPolarHBondContact O-CA 3.41Å; F144-K149 PolarHBondContact O-N 3.37Å; F144-I154 HydrophobicContact CD1-CD1 4.38Å; F144-I154 HydrophobicContact CE1-CD1 3.78Å; F144-Y269 VanDerWaalsContact CB-OH 3.23Å; F144-Y269 WeakPolarHBondContact CB-OH 3.32Å
145E90.5Very high91.5Very high104 Ų10463 Ų6349%0.48633%0.326SS..Hα-helixtrans-81.2-23.7175.2-68-169.8147.600113.7T141 E142 M143 P267T141-E145 WeakPolarHBondContact O-CG 3.26Å; T141-E145 PolarHBondContact O-N 3.43Å; E142-E145 PolarHBondContact O-N 3.38Å; M143-E145 VanDerWaalsContact C-N 3.29Å; M143-E145 PolarHBondContact O-N 3.21Å; E145-P267 HydrophobicContact CG-CG 4.01Å; E145-P267 WeakPolarHBondContact OE1-CG 2.99Å
146T91.4Very high91.6Very high92 Ų9263.7 Ų63.756%0.56433%0.327SS*.THydrogen-bonded Turntrans-107.3-96.2-177.461.40000112.1E142 M143 W148 K149E142-T146 WeakPolarHBondContact O-CB 3.42Å; E142-T146 WeakPolarHBondContact O-CG2 3.4Å; E142-T146 PolarHBondContact O-N 3.09Å; E142-T146 PolarHBondContact O-OG1 2.91Å; M143-T146 CarbonylContact O-C 3.5Å; M143-T146 PolarHBondContact O-N 3.46Å; T146-W148 VanDerWaalsContact C-N 3.3Å; T146-W148 PolarHBondContact O-N 3.4Å; T146-K149 WeakPolarHBondContact O-CB 3.32Å; T146-K149 PolarHBondContact O-N 2.88Å
147K91.8Very high91.7Very high147 Ų14770.5 Ų70.564%0.63936%0.358SS*.THydrogen-bonded Turntrans-68.6-26.3-168.3-67.9-179.4-179.1172.10113.7M143 K151M143-K147 HydrophobicContact CE-CB 3.96Å; M143-K147 HydrophobicContact CE-CD 3.83Å; M143-K147 HydrophobicContact CE-CG 4.4Å; M143-K147 PolarHBondContact O-N 2.9Å; M143-K147 HydrophobicContact SD-CB 4.49Å; M143-K147 HydrophobicContact SD-CD 4.05Å; K147-K151 PolarHBondContact O-NZ 3.44Å
148W93Very high91.5Very high23 Ų2375 Ų759%0.08738%0.378CS..THydrogen-bonded Turntrans-107.89.8-176.6-56.1-25.1000113.4F119 Y139 F140 M143 F144 T146 G150 K151 I154 L156F119-W148 HydrophobicContact CE1-CE3 4.44Å; F119-W148 HydrophobicContact CE1-CH2 4.05Å; F119-W148 AromaticContact CE1-CZ3 3.92Å; F119-W148 HydrophobicContact CE1-CZ3 3.92Å; F119-W148 HydrophobicContact CZ-CZ3 4.43Å; Y139-W148 HydrophobicContact CE1-CH2 4.21Å; F140-W148 AromaticContact CD1-CZ3 3.77Å; F140-W148 HydrophobicContact CD1-CZ3 3.77Å; F140-W148 HydrophobicContact CE1-CH2 4.28Å; F140-W148 AromaticContact CE1-CZ3 3.88Å; F140-W148 HydrophobicContact CE1-CZ3 3.88Å; M143-W148 HydrophobicContact CB-CD2 3.9Å; M143-W148 HydrophobicContact CB-CE3 3.43Å; M143-W148 VanDerWaalsContact CB-CE3 3.43Å; M143-W148 HydrophobicContact CB-CH2 4.21Å; M143-W148 HydrophobicContact CB-CZ3 3.61Å; M143-W148 HydrophobicContact CE-CD2 3.88Å; M143-W148 HydrophobicContact CE-CE3 4.36Å; M143-W148 HydrophobicContact CE-CG 4.47Å; M143-W148 HydrophobicContact CE-CH2 3.96Å; M143-W148 HydrophobicContact CE-CZ2 3.4Å; M143-W148 VanDerWaalsContact CE-CZ2 3.4Å; M143-W148 HydrophobicContact CE-CZ3 4.4Å; M143-W148 HydrophobicContact CG-CE3 4.46Å; M143-W148 HydrophobicContact CG-CH2 4.44Å; M143-W148 HydrophobicContact CG-CZ3 4.28Å; M143-W148 WeakPolarHBondContact O-CB 3.18Å; M143-W148 PolarHBondContact O-N 2.9Å; F144-W148 HydrophobicContact CD1-CB 4.15Å; F144-W148 AromaticContact CD1-CE3 3.83Å; F144-W148 HydrophobicContact CD1-CE3 3.83Å; F144-W148 AromaticContact CE1-CE3 3.77Å; F144-W148 HydrophobicContact CE1-CE3 3.77Å; F144-W148 HydrophobicContact CE1-CZ3 4.33Å; T146-W148 VanDerWaalsContact C-N 3.3Å; T146-W148 PolarHBondContact O-N 3.4Å; W148-G150 PolarHBondContact O-N 3.08Å; W148-K151 PolarHBondContact O-N 3.32Å; W148-I154 HydrophobicContact CB-CD1 3.89Å; W148-I154 HydrophobicContact CB-CG1 4.16Å; W148-I154 HydrophobicContact CD2-CD1 3.5Å; W148-I154 HydrophobicContact CD2-CG1 4Å; W148-I154 HydrophobicContact CD2-CG2 3.93Å; W148-I154 VanDerWaalsContact CE2-CG2 3.41Å; W148-I154 HydrophobicContact CE3-CD1 3.53Å; W148-I154 HydrophobicContact CG-CD1 3.69Å; W148-I154 HydrophobicContact CG-CG1 3.84Å; W148-I154 HydrophobicContact CG-CG2 4.3Å; W148-I154 HydrophobicContact CH2-CG2 4.33Å; W148-I154 HydrophobicContact CZ2-CG2 3.64Å; W148-I154 HydrophobicContact CZ3-CD1 4.21Å; W148-L156 HydrophobicContact CZ2-CD2 3.95Å
149K91.2Very high91.3Very high155 Ų15574 Ų7467%0.67438%0.383SS*.THydrogen-bonded Turntrans-56.2126.2177.7-164.7175.6-170.3163.70111.2F144 T146 K151F144-K149 WeakPolarHBondContact O-CA 3.41Å; F144-K149 PolarHBondContact O-N 3.37Å; T146-K149 WeakPolarHBondContact O-CB 3.32Å; T146-K149 PolarHBondContact O-N 2.88Å; K149-K151 PolarHBondContact O-N 3.09Å
150G86.8Confident91Very high72 Ų7276.6 Ų76.674%0.74240%0.398SS*.THydrogen-bonded Turntrans697-179.800000115.9W148W148-G150 PolarHBondContact O-N 3.08Å
151K92Very high90.9Very high110 Ų11076.9 Ų76.948%0.47840%0.4SS..  trans-98.8125.5178.2-64-179.4-174.9159.20110.8R130 K147 W148 K149R130-K151 PolarHBondContact NH2-O 3.28Å; K147-K151 PolarHBondContact O-NZ 3.44Å; W148-K151 PolarHBondContact O-N 3.32Å; K149-K151 PolarHBondContact O-N 3.09Å
152N91.8Very high90.9Very high113 Ų11378.2 Ų78.260%0.60441%0.407SS*.SBendtrans-90.9-18174.8-60.5-9.1000112.3K118 R130K118-N152 PolarHBondContact N-O 3.42Å; R130-N152 PolarHBondContact NH2-OD1 2.99Å
153L94.8Very high91Very high91 Ų9175 Ų7548%0.47639%0.394SS..EExtended strand (participates in β ladder)trans-120.2119.3175.8-178.466000109.8K118 L120K118-L153 HydrophobicContact CB-CD1 4.03Å; K118-L153 WeakPolarHBondContact O-CA 3.23Å; L120-L153 HydrophobicContact CB-CD1 4.26Å
154I94.9Very high90.9Very high3 Ų376.5 Ų76.52%0.01541%0.409CS..EExtended strand (participates in β ladder)trans-112.2118.9-179.6-64.5162.4000108.4V117 K118 F119 L120 F144 W148 L156V117-I154 HydrophobicContact CG2-CD1 3.48Å; V117-I154 VanDerWaalsContact CG2-CD1 3.48Å; V117-I154 HydrophobicContact CG2-CG1 4.26Å; K118-I154 PolarHBondContact O-N 3.38Å; F119-I154 CarbonylContact C-O 3.54Å; F119-I154 WeakPolarHBondContact CA-O 3.49Å; F119-I154 HydrophobicContact CD1-CB 3.77Å; F119-I154 HydrophobicContact CD1-CD1 4.13Å; F119-I154 HydrophobicContact CD1-CG2 3.78Å; F119-I154 HydrophobicContact CE1-CB 3.98Å; F119-I154 HydrophobicContact CE1-CD1 3.48Å; F119-I154 VanDerWaalsContact CE1-CD1 3.48Å; F119-I154 HydrophobicContact CE1-CG1 4.35Å; F119-I154 HydrophobicContact CE1-CG2 3.93Å; F119-I154 HydrophobicContact CZ-CD1 3.89Å; L120-I154 PolarHBondContact N-O 3.49Å; F144-I154 HydrophobicContact CD1-CD1 4.38Å; F144-I154 HydrophobicContact CE1-CD1 3.78Å; W148-I154 HydrophobicContact CB-CD1 3.89Å; W148-I154 HydrophobicContact CB-CG1 4.16Å; W148-I154 HydrophobicContact CD2-CD1 3.5Å; W148-I154 HydrophobicContact CD2-CG1 4Å; W148-I154 HydrophobicContact CD2-CG2 3.93Å; W148-I154 VanDerWaalsContact CE2-CG2 3.41Å; W148-I154 HydrophobicContact CE3-CD1 3.53Å; W148-I154 HydrophobicContact CG-CD1 3.69Å; W148-I154 HydrophobicContact CG-CG1 3.84Å; W148-I154 HydrophobicContact CG-CG2 4.3Å; W148-I154 HydrophobicContact CH2-CG2 4.33Å; W148-I154 HydrophobicContact CZ2-CG2 3.64Å; W148-I154 HydrophobicContact CZ3-CD1 4.21Å; I154-L156 HydrophobicContact CG2-CD2 3.95Å; I154-L156 HydrophobicContact CG2-CG 4.31Å
155T94.3Very high90.9Very high69 Ų6976.4 Ų76.442%0.42341%0.409SS..EExtended strand (participates in β ladder)trans-99.5120.7179.3-48.80000111.1L120 K157L120-T155 HydrophobicContact CB-CG2 4.28Å; L120-T155 HydrophobicContact CD2-CG2 4Å; L120-T155 HydrophobicContact CG-CG2 4.26Å; L120-T155 WeakPolarHBondContact O-CA 3.42Å; T155-K157 HydrophobicContact CG2-CD 4.36Å; T155-K157 HydrophobicContact CG2-CG 3.82Å
156L92.1Very high91.1Very high25 Ų2572 Ų7213%0.13139%0.388CS..EExtended strand (participates in β ladder)trans-107.9102.9177.6-57-178.9000108.9F119 L120 V121 W148 I154 I161 F166F119-L156 HydrophobicContact CD1-CD1 4.16Å; L120-L156 PolarHBondContact O-N 3.25Å; V121-L156 HydrophobicContact CG2-CB 4.2Å; V121-L156 HydrophobicContact CG2-CD1 4.03Å; V121-L156 HydrophobicContact CG2-CG 4.46Å; W148-L156 HydrophobicContact CZ2-CD2 3.95Å; I154-L156 HydrophobicContact CG2-CD2 3.95Å; I154-L156 HydrophobicContact CG2-CG 4.31Å; L156-I161 HydrophobicContact CB-CD1 4.16Å; L156-I161 HydrophobicContact CD1-CD1 4.41Å; L156-F166 HydrophobicContact CD1-CD2 4.42Å; L156-F166 HydrophobicContact CD1-CE2 3.91Å; L156-F166 HydrophobicContact CD1-CZ 4.19Å
157K88.6Confident91.1Very high168 Ų16868.6 Ų68.673%0.7337%0.371SS*.  trans-104.64.7179.4-58.4-171.4177.2179.60113.7T155T155-K157 HydrophobicContact CG2-CD 4.36Å; T155-K157 HydrophobicContact CG2-CG 3.82Å
158H87.6Confident91Very high101 Ų10162 Ų6247%0.46834%0.344SS..  trans-64.8126.4-174.9-168.6-83.2000109.3H122 L160 I161H122-H158 PolarHBondContact CE1-O 3.24Å; H122-H158 PolarHBondContact NE2-O 3.48Å; H158-L160 VanDerWaalsContact CE1-CG 3.48Å; H158-L160 WeakPolarHBondContact CE1-CG 3.21Å; H158-L160 WeakPolarHBondContact ND1-CB 3.29Å; H158-L160 PolarHBondContact ND1-N 2.97Å; H158-L160 PolarHBondContact O-N 3.21Å; H158-I161 HydrophobicContact CB-CD1 3.76Å; H158-I161 HydrophobicContact CB-CG1 3.99Å; H158-I161 PolarHBondContact O-N 3.43Å
159P84Confident91Very high110 Ų11061 Ų6171%0.71434%0.34SS*.THydrogen-bonded Turntrans-62.4-25.4-168.924-35000112.7
160L85.9Confident91Very high90 Ų9053.8 Ų53.847%0.47131%0.309SS..THydrogen-bonded Turntrans-77.2-22.1179.4-58.4-175.3000113.4H158 N162 R190H158-L160 VanDerWaalsContact CE1-CG 3.48Å; H158-L160 WeakPolarHBondContact CE1-CG 3.21Å; H158-L160 WeakPolarHBondContact ND1-CB 3.29Å; H158-L160 PolarHBondContact ND1-N 2.97Å; H158-L160 PolarHBondContact O-N 3.21Å; L160-N162 PolarHBondContact O-N 3.28Å; L160-R190 PolarHBondContact O-NH1 3.4Å; L160-R190 PolarHBondContact O-NH2 3.34Å
161I90.2Very high91.1Very high10 Ų1052.5 Ų52.55%0.05128%0.284CS..  trans-76.7112.1-176.8-61.4174.9000108.8V121 H122 L156 H158 F166 L191V121-I161 HydrophobicContact CG1-CG2 3.63Å; H122-I161 PolarHBondContact CD2-O 3.36Å; H122-I161 PolarHBondContact NE2-O 2.96Å; L156-I161 HydrophobicContact CB-CD1 4.16Å; L156-I161 HydrophobicContact CD1-CD1 4.41Å; H158-I161 HydrophobicContact CB-CD1 3.76Å; H158-I161 HydrophobicContact CB-CG1 3.99Å; H158-I161 PolarHBondContact O-N 3.43Å; I161-F166 HydrophobicContact CG2-CB 4.45Å; I161-L191 HydrophobicContact CG1-CD2 4.14Å; I161-L191 HydrophobicContact CG2-CD2 4.2Å
162N92.1Very high91.1Very high48 Ų4847.8 Ų47.826%0.25726%0.263SS..  trans-84.7129174.4-171.2-43.8000110L160 A164 A165 F166 L184 D187L160-N162 PolarHBondContact O-N 3.28Å; N162-A164 VanDerWaalsContact C-N 3.33Å; N162-A164 PolarHBondContact O-N 3.22Å; N162-A164 PolarHBondContact OD1-N 3.19Å; N162-A165 HydrophobicContact CB-CB 3.96Å; N162-A165 PolarHBondContact O-N 3.17Å; N162-F166 WeakPolarHBondContact O-CB 3.27Å; N162-F166 PolarHBondContact O-N 2.96Å; N162-L184 WeakPolarHBondContact ND2-CD2 3.33Å; N162-D187 HydrophobicContact CB-CB 4.21Å; N162-D187 PolarHBondContact ND2-OD2 3.42Å
163P92.8Very high91Very high22 Ų2242.4 Ų42.414%0.14323%0.234CC..Hα-helixtrans-59.2-38.6179.3-24.434.2000114.1V121 H122 Q124 F126 F166 G167V121-P163 HydrophobicContact CG1-CB 4.33Å; V121-P163 HydrophobicContact CG1-CG 4.13Å; H122-P163 HydrophobicContact CB-CG 3.96Å; Q124-P163 HydrophobicContact CB-CB 4.41Å; Q124-P163 HydrophobicContact CG-CB 4.39Å; F126-P163 HydrophobicContact CE2-CB 4.42Å; F126-P163 HydrophobicContact CZ-CB 4.35Å; F126-P163 WeakPolarHBondContact CZ-O 3.41Å; P163-F166 PolarHBondContact O-N 3.21Å; P163-G167 PolarHBondContact O-N 3.39Å
164A90.4Very high90.8Very high52 Ų5238 Ų3843%0.4321%0.211SC..Hα-helixtrans-68.5-41.8179.600000111.5N162 F166 G167 A168 L184N162-A164 VanDerWaalsContact C-N 3.33Å; N162-A164 PolarHBondContact O-N 3.22Å; N162-A164 PolarHBondContact OD1-N 3.19Å; A164-F166 VanDerWaalsContact C-N 3.32Å; A164-F166 PolarHBondContact O-N 3.44Å; A164-G167 PolarHBondContact O-N 3.33Å; A164-A168 PolarHBondContact O-N 3.36Å; A164-L184 HydrophobicContact CB-CD1 3.62Å
165A92.6Very high90.3Very high0 Ų038.2 Ų38.20%021%0.213CC..Hα-helixtrans-64.6-37.3173.800000111.9N162 A168 I169 D187 C188 L191N162-A165 HydrophobicContact CB-CB 3.96Å; N162-A165 PolarHBondContact O-N 3.17Å; A165-A168 PolarHBondContact O-N 3.36Å; A165-I169 WeakPolarHBondContact O-CG1 3.25Å; A165-I169 PolarHBondContact O-N 3.37Å; A165-D187 HydrophobicContact CB-CB 3.71Å; A165-C188 VanDerWaalsContact CB-SG 3.59Å; A165-L191 HydrophobicContact CB-CD1 3.83Å
166F94.2Very high89.7Confident11 Ų1135.1 Ų35.15%0.04819%0.194CC..Hα-helixtrans-65.1-43.1175.1-175.9-99000112F119 V121 F126 L156 I161 N162 P163 A164 A168 I169 L170 L191F119-F166 HydrophobicContact CB-CE1 3.77Å; F119-F166 HydrophobicContact CB-CZ 3.91Å; F119-F166 AromaticContact CD1-CZ 3.97Å; F119-F166 HydrophobicContact CD1-CZ 3.97Å; F119-F166 HydrophobicContact CD2-CE1 4.31Å; F119-F166 HydrophobicContact CD2-CZ 4.03Å; F119-F166 HydrophobicContact CG-CE1 4.02Å; F119-F166 AromaticContact CG-CZ 3.7Å; F119-F166 HydrophobicContact CG-CZ 3.7Å; V121-F166 HydrophobicContact CG2-CD1 3.7Å; V121-F166 HydrophobicContact CG2-CE1 3.88Å; V121-F166 HydrophobicContact CG2-CG 4.11Å; V121-F166 HydrophobicContact CG2-CZ 4.46Å; F126-F166 HydrophobicContact CB-CE1 4.13Å; F126-F166 HydrophobicContact CD1-CD1 4.48Å; F126-F166 AromaticContact CD2-CD1 3.84Å; F126-F166 HydrophobicContact CD2-CD1 3.84Å; F126-F166 HydrophobicContact CD2-CE1 4.06Å; F126-F166 HydrophobicContact CE2-CD1 4.11Å; F126-F166 HydrophobicContact CG-CD1 4.04Å; F126-F166 HydrophobicContact CG-CE1 4.09Å; L156-F166 HydrophobicContact CD1-CD2 4.42Å; L156-F166 HydrophobicContact CD1-CE2 3.91Å; L156-F166 HydrophobicContact CD1-CZ 4.19Å; I161-F166 HydrophobicContact CG2-CB 4.45Å; N162-F166 WeakPolarHBondContact O-CB 3.27Å; N162-F166 PolarHBondContact O-N 2.96Å; P163-F166 PolarHBondContact O-N 3.21Å; A164-F166 VanDerWaalsContact C-N 3.32Å; A164-F166 PolarHBondContact O-N 3.44Å; F166-A168 VanDerWaalsContact C-N 3.34Å; F166-A168 PolarHBondContact O-N 2.69Å; F166-I169 PolarHBondContact O-N 3.04Å; F166-L170 HydrophobicContact CD1-CD1 3.92Å; F166-L170 HydrophobicContact CD1-CG 4.31Å; F166-L170 HydrophobicContact CE1-CD1 3.44Å; F166-L170 VanDerWaalsContact CE1-CD1 3.44Å; F166-L170 HydrophobicContact CE1-CG 3.95Å; F166-L170 HydrophobicContact CZ-CD1 4.1Å; F166-L170 HydrophobicContact CZ-CD2 4.38Å; F166-L170 HydrophobicContact CZ-CG 4.24Å; F166-L170 PolarHBondContact O-N 3.11Å; F166-L191 HydrophobicContact CB-CD1 4.29Å
167G91.4Very high89.2Confident20 Ų2038.4 Ų38.421%0.20621%0.205CC..Hα-helixtrans-59.7-42.4173.400000112.6P163 A164 L170 Q171P163-G167 PolarHBondContact O-N 3.39Å; A164-G167 PolarHBondContact O-N 3.33Å; G167-L170 WeakPolarHBondContact O-CB 3.19Å; G167-L170 PolarHBondContact O-N 3.24Å; G167-Q171 PolarHBondContact O-N 2.83Å
168A89.8Confident88.9Confident8 Ų830.4 Ų30.47%0.06617%0.17CC..Hα-helixtrans-62.7-44.6176.400000112A164 A165 F166 L170 Q171 Y172 M178 I180A164-A168 PolarHBondContact O-N 3.36Å; A165-A168 PolarHBondContact O-N 3.36Å; F166-A168 VanDerWaalsContact C-N 3.34Å; F166-A168 PolarHBondContact O-N 2.69Å; A168-L170 VanDerWaalsContact C-N 3.32Å; A168-L170 PolarHBondContact O-N 2.7Å; A168-Q171 WeakPolarHBondContact O-CB 3.46Å; A168-Q171 PolarHBondContact O-N 3.21Å; A168-Q171 VanDerWaalsContact O-N 3.15Å; A168-Y172 PolarHBondContact O-N 3.46Å; A168-M178 HydrophobicContact CB-CG 3.66Å; A168-M178 HydrophobicContact CB-SD 3.61Å; A168-M178 VanDerWaalsContact O-CG 3.26Å; A168-M178 WeakPolarHBondContact O-CG 3.33Å; A168-I180 HydrophobicContact CB-CG1 4.21Å
169I92.6Very high88.4Confident3 Ų329.6 Ų29.62%0.01517%0.169CC..Hα-helixtrans-62.7-39175.2-67.1-67.7000111.5A165 F166 Y172 F173 M178 C188 L191 A192 L200A165-I169 WeakPolarHBondContact O-CG1 3.25Å; A165-I169 PolarHBondContact O-N 3.37Å; F166-I169 PolarHBondContact O-N 3.04Å; I169-Y172 WeakPolarHBondContact O-CB 3.48Å; I169-Y172 PolarHBondContact O-N 3.33Å; I169-F173 HydrophobicContact CG2-CD2 3.93Å; I169-F173 HydrophobicContact CG2-CE2 3.51Å; I169-F173 HydrophobicContact CG2-CZ 4.4Å; I169-F173 WeakPolarHBondContact O-CD2 3.42Å; I169-F173 PolarHBondContact O-N 3.39Å; I169-M178 HydrophobicContact CD1-CE 4.45Å; I169-M178 HydrophobicContact CD1-SD 4.12Å; I169-C188 HydrophobicContact CD1-CB 4.38Å; I169-L191 HydrophobicContact CG1-CB 4.04Å; I169-L191 HydrophobicContact CG1-CD1 4.34Å; I169-A192 HydrophobicContact CD1-CB 4.34Å; I169-L200 HydrophobicContact CD1-CD2 3.66Å
170L92.9Very high88.4Confident3 Ų324.5 Ų24.52%0.01614%0.136CC..Hα-helixtrans-62.5-44172.2-74.3-179.1000111.7L109 F126 L133 F166 G167 A168 Y172 F173 Y174L109-L170 HydrophobicContact CD1-CB 4.36Å; L109-L170 HydrophobicContact CD2-CB 4.35Å; F126-L170 HydrophobicContact CB-CD1 3.7Å; F126-L170 HydrophobicContact CD1-CD1 4.1Å; F126-L170 HydrophobicContact CG-CD1 4.09Å; L133-L170 HydrophobicContact CD2-CD2 3.77Å; F166-L170 HydrophobicContact CD1-CD1 3.92Å; F166-L170 HydrophobicContact CD1-CG 4.31Å; F166-L170 HydrophobicContact CE1-CD1 3.44Å; F166-L170 VanDerWaalsContact CE1-CD1 3.44Å; F166-L170 HydrophobicContact CE1-CG 3.95Å; F166-L170 HydrophobicContact CZ-CD1 4.1Å; F166-L170 HydrophobicContact CZ-CD2 4.38Å; F166-L170 HydrophobicContact CZ-CG 4.24Å; F166-L170 PolarHBondContact O-N 3.11Å; G167-L170 WeakPolarHBondContact O-CB 3.19Å; G167-L170 PolarHBondContact O-N 3.24Å; A168-L170 VanDerWaalsContact C-N 3.32Å; A168-L170 PolarHBondContact O-N 2.7Å; L170-Y172 VanDerWaalsContact C-N 3.25Å; L170-Y172 PolarHBondContact O-N 3.39Å; L170-F173 HydrophobicContact CD2-CD2 4.42Å; L170-F173 WeakPolarHBondContact O-CB 3.46Å; L170-F173 PolarHBondContact O-N 2.91Å; L170-F173 VanDerWaalsContact O-N 3.1Å; L170-Y174 WeakPolarHBondContact O-CD2 3.39Å; L170-Y174 PolarHBondContact O-N 3.31Å
171Q89.3Confident88.2Confident45 Ų4523.6 Ų23.621%0.2113%0.132CC..Hα-helixtrans-56.7-42.3175.3-169.6-171.422.800111.4L109 G167 A168 F173 Y174 T175 R177L109-Q171 HydrophobicContact CD2-CB 4.37Å; G167-Q171 PolarHBondContact O-N 2.83Å; A168-Q171 WeakPolarHBondContact O-CB 3.46Å; A168-Q171 PolarHBondContact O-N 3.21Å; A168-Q171 VanDerWaalsContact O-N 3.15Å; Q171-F173 PolarHBondContact O-N 3.5Å; Q171-Y174 PolarHBondContact O-N 3.47Å; Q171-T175 PolarHBondContact O-N 2.85Å; Q171-T175 PolarHBondContact O-OG1 3.17Å; Q171-R177 CarbonylContact C-O 3.44Å
172Y90Very high87.8Confident11 Ų1126.3 Ų26.34%0.04315%0.146CC..Hα-helixtrans-61.1-43.5175.5-174.6-94.3000112.1R136 A168 I169 L170 Y174 G176 R177 M178 M197 L200 L228R136-Y172 PolarHBondContact NH1-O 3.42Å; A168-Y172 PolarHBondContact O-N 3.46Å; I169-Y172 WeakPolarHBondContact O-CB 3.48Å; I169-Y172 PolarHBondContact O-N 3.33Å; L170-Y172 VanDerWaalsContact C-N 3.25Å; L170-Y172 PolarHBondContact O-N 3.39Å; Y172-Y174 VanDerWaalsContact C-N 3.27Å; Y172-Y174 PolarHBondContact O-N 3.39Å; Y172-G176 WeakPolarHBondContact CE2-O 3.07Å; Y172-G176 VanDerWaalsContact O-CA 3.25Å; Y172-G176 WeakPolarHBondContact O-CA 3.33Å; Y172-G176 PolarHBondContact O-N 3.26Å; Y172-R177 VanDerWaalsContact CA-O 3.28Å; Y172-R177 WeakPolarHBondContact CA-O 3.18Å; Y172-R177 PolarHBondContact N-O 3.29Å; Y172-M178 HydrophobicContact CD2-CB 4.21Å; Y172-M178 HydrophobicContact CD2-CE 4.43Å; Y172-M197 HydrophobicContact CD1-CE 3.57Å; Y172-M197 HydrophobicContact CE1-CE 3.42Å; Y172-M197 VanDerWaalsContact CE1-CE 3.42Å; Y172-L200 HydrophobicContact CD1-CD1 4.43Å; Y172-L200 HydrophobicContact CD1-CD2 3.82Å; Y172-L200 HydrophobicContact CD2-CD1 3.96Å; Y172-L200 HydrophobicContact CE1-CB 4.24Å; Y172-L200 HydrophobicContact CE1-CD1 4.2Å; Y172-L200 HydrophobicContact CE1-CD2 4Å; Y172-L200 HydrophobicContact CE1-CG 4.37Å; Y172-L200 HydrophobicContact CE2-CD1 3.69Å; Y172-L200 HydrophobicContact CG-CD1 4.29Å; Y172-L200 HydrophobicContact CG-CD2 4.13Å; Y172-L228 HydrophobicContact CE2-CD1 4.49Å
173F90.9Very high87.5Confident0 Ų028.3 Ų28.30%016%0.163CC..Hα-helixtrans-58.9-36.1176.5-79-58.3000112.9L133 R136 F140 I169 L170 Q171 C195 M197L133-F173 HydrophobicContact CD2-CB 4.1Å; L133-F173 HydrophobicContact CD2-CD2 3.69Å; L133-F173 HydrophobicContact CD2-CE2 4.24Å; L133-F173 HydrophobicContact CD2-CG 3.89Å; R136-F173 HydrophobicContact CB-CD1 3.49Å; R136-F173 VanDerWaalsContact CB-CD1 3.49Å; R136-F173 HydrophobicContact CB-CE1 3.82Å; R136-F173 WeakPolarHBondContact CD-O 3.5Å; R136-F173 HydrophobicContact CG-CD1 4.43Å; R136-F173 VanDerWaalsContact NH1-C 3.33Å; R136-F173 PolarHBondContact NH1-O 3.49Å; F140-F173 HydrophobicContact CD2-CE2 4.21Å; F140-F173 HydrophobicContact CD2-CZ 4.06Å; F140-F173 AromaticContact CE2-CE2 3.59Å; F140-F173 HydrophobicContact CE2-CE2 3.59Å; F140-F173 AromaticContact CE2-CZ 3.83Å; F140-F173 HydrophobicContact CE2-CZ 3.83Å; F140-F173 HydrophobicContact CZ-CE2 4.47Å; I169-F173 HydrophobicContact CG2-CD2 3.93Å; I169-F173 HydrophobicContact CG2-CE2 3.51Å; I169-F173 HydrophobicContact CG2-CZ 4.4Å; I169-F173 WeakPolarHBondContact O-CD2 3.42Å; I169-F173 PolarHBondContact O-N 3.39Å; L170-F173 HydrophobicContact CD2-CD2 4.42Å; L170-F173 WeakPolarHBondContact O-CB 3.46Å; L170-F173 PolarHBondContact O-N 2.91Å; L170-F173 VanDerWaalsContact O-N 3.1Å; Q171-F173 PolarHBondContact O-N 3.5Å; F173-C195 HydrophobicContact CZ-CB 4.3Å; F173-M197 HydrophobicContact CD1-CE 4.2Å; F173-M197 HydrophobicContact CE1-CE 3.62Å; F173-M197 HydrophobicContact CE1-SD 3.58Å; F173-M197 VanDerWaalsContact CE1-SD 3.58Å; F173-M197 HydrophobicContact CE2-SD 4.18Å; F173-M197 HydrophobicContact CZ-CE 4.02Å; F173-M197 HydrophobicContact CZ-SD 3.35Å; F173-M197 WeakPolarHBondContact CZ-SD 3.49Å
174Y90.1Very high87.3Confident0 Ų028.7 Ų28.70%016%0.164CC..Hα-helixtrans-85.3-41.1-179.1-78.7-105.9000112.5L105 L108 L109 H129 V132 L170 Q171 Y172L105-Y174 VanDerWaalsContact CB-O 3.32Å; L105-Y174 WeakPolarHBondContact CB-O 3.26Å; L105-Y174 WeakPolarHBondContact CD1-O 3.48Å; L105-Y174 WeakPolarHBondContact O-CD1 3.49Å; L108-Y174 HydrophobicContact CD2-CD1 4.43Å; L108-Y174 HydrophobicContact CD2-CE1 4.02Å; L108-Y174 HydrophobicContact CG-CE1 4.13Å; L109-Y174 HydrophobicContact CB-CD1 3.84Å; L109-Y174 HydrophobicContact CB-CD2 4.1Å; L109-Y174 HydrophobicContact CB-CE1 4.2Å; L109-Y174 HydrophobicContact CB-CE2 4.45Å; L109-Y174 HydrophobicContact CB-CG 3.78Å; L109-Y174 HydrophobicContact CD1-CD2 3.95Å; L109-Y174 HydrophobicContact CD1-CE2 3.79Å; L109-Y174 HydrophobicContact CD1-CG 4.5Å; L109-Y174 HydrophobicContact CD2-CD2 4.01Å; L109-Y174 HydrophobicContact CD2-CG 4.23Å; L109-Y174 HydrophobicContact CG-CD2 4.24Å; L109-Y174 HydrophobicContact CG-CG 4.39Å; H129-Y174 WeakPolarHBondContact CB-OH 3.27Å; H129-Y174 PolarHBondContact N-OH 3.38Å; H129-Y174 AromaticContact ND1-CE1 3.55Å; H129-Y174 AromaticContact ND1-CZ 3.57Å; H129-Y174 PolarHBondContact ND1-OH 3.19Å; V132-Y174 HydrophobicContact CB-CE1 4.31Å; V132-Y174 HydrophobicContact CB-CE2 4.46Å; V132-Y174 HydrophobicContact CG1-CD1 4.22Å; V132-Y174 HydrophobicContact CG1-CD2 4.08Å; V132-Y174 HydrophobicContact CG1-CE1 4.06Å; V132-Y174 HydrophobicContact CG1-CE2 3.9Å; V132-Y174 HydrophobicContact CG1-CG 4.24Å; V132-Y174 HydrophobicContact CG2-CE1 4.04Å; L170-Y174 WeakPolarHBondContact O-CD2 3.39Å; L170-Y174 PolarHBondContact O-N 3.31Å; Q171-Y174 PolarHBondContact O-N 3.47Å; Y172-Y174 VanDerWaalsContact C-N 3.27Å; Y172-Y174 PolarHBondContact O-N 3.39Å
175T83.8Confident87.2Confident7 Ų726.7 Ų26.74%0.04315%0.146CC..Hα-helixtrans-112.3-11.6-165.365.20000113.6H106 Q171 R177H106-T175 HydrophobicContact CB-CG2 3.83Å; Q171-T175 PolarHBondContact O-N 2.85Å; Q171-T175 PolarHBondContact O-OG1 3.17Å; T175-R177 PolarHBondContact O-N 3.07Å; T175-R177 VanDerWaalsContact O-N 3.09Å; T175-R177 WeakPolarHBondContact OG1-CB 3.45Å; T175-R177 PolarHBondContact OG1-N 3.15Å; T175-R177 VanDerWaalsContact OG1-N 3.09Å; T175-R177 PolarHBondContact OG1-O 3.3Å; T175-R177 VanDerWaalsContact OG1-O 3.07Å
176G83.1Confident87.1Confident4 Ų431.6 Ų31.64%0.04117%0.169CC..SBendtrans63.34.5-165.800000113.3Y172Y172-G176 WeakPolarHBondContact CE2-O 3.07Å; Y172-G176 VanDerWaalsContact O-CA 3.25Å; Y172-G176 WeakPolarHBondContact O-CA 3.33Å; Y172-G176 PolarHBondContact O-N 3.26Å
177R80Confident87Confident93 Ų9333 Ų3335%0.35118%0.177SC..  trans-111149.7176.6-60-170.4-170.6-154.6-1.5109.7Q171 Y172 T175 L228 E229 P230Q171-R177 CarbonylContact C-O 3.44Å; Y172-R177 VanDerWaalsContact CA-O 3.28Å; Y172-R177 WeakPolarHBondContact CA-O 3.18Å; Y172-R177 PolarHBondContact N-O 3.29Å; T175-R177 PolarHBondContact O-N 3.07Å; T175-R177 VanDerWaalsContact O-N 3.09Å; T175-R177 WeakPolarHBondContact OG1-CB 3.45Å; T175-R177 PolarHBondContact OG1-N 3.15Å; T175-R177 VanDerWaalsContact OG1-N 3.09Å; T175-R177 PolarHBondContact OG1-O 3.3Å; T175-R177 VanDerWaalsContact OG1-O 3.07Å; R177-L228 VanDerWaalsContact CA-O 3.29Å; R177-L228 WeakPolarHBondContact CA-O 3.17Å; R177-E229 WeakPolarHBondContact CD-OE2 3.37Å; R177-E229 IonicContact CZ-OE2 3.74Å; R177-E229 IonicContact NE-OE2 2.65Å; R177-E229 PolarHBondContact NE-OE2 3.32Å; R177-E229 VanDerWaalsContact NE-OE2 3.16Å; R177-E229 IonicContact NH1-OE1 2.69Å; R177-E229 IonicContact NH1-OE2 3.51Å; R177-E229 PolarHBondContact NH1-OE2 2.89Å; R177-E229 IonicContact NH2-OE2 3.22Å; R177-P230 HydrophobicContact CG-CB 4.42Å; R177-P230 VanDerWaalsContact CG-CD 3.47Å; R177-P230 HydrophobicContact CG-CG 3.65Å
178M82.6Confident87Confident0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-152.9125.7178.4-168.6174.934.300110.1A168 I169 Y172 I180 L200 L204 S227 L228A168-M178 HydrophobicContact CB-CG 3.66Å; A168-M178 HydrophobicContact CB-SD 3.61Å; A168-M178 VanDerWaalsContact O-CG 3.26Å; A168-M178 WeakPolarHBondContact O-CG 3.33Å; I169-M178 HydrophobicContact CD1-CE 4.45Å; I169-M178 HydrophobicContact CD1-SD 4.12Å; Y172-M178 HydrophobicContact CD2-CB 4.21Å; Y172-M178 HydrophobicContact CD2-CE 4.43Å; M178-I180 HydrophobicContact CB-CG1 4.45Å; M178-I180 HydrophobicContact CE-CD1 3.29Å; M178-I180 HydrophobicContact CE-CG1 4.08Å; M178-I180 HydrophobicContact CG-CD1 3.88Å; M178-I180 HydrophobicContact CG-CG1 3.52Å; M178-I180 HydrophobicContact SD-CD1 3.51Å; M178-I180 VanDerWaalsContact SD-CD1 3.51Å; M178-I180 HydrophobicContact SD-CG1 3.72Å; M178-L200 HydrophobicContact CE-CD1 3.7Å; M178-L200 HydrophobicContact CE-CD2 4.25Å; M178-L200 HydrophobicContact CE-CG 4.47Å; M178-L204 HydrophobicContact CE-CD1 4.46Å; M178-L204 HydrophobicContact CE-CD2 4.08Å; M178-S227 WeakPolarHBondContact O-CA 3.19Å; M178-L228 HydrophobicContact CB-CB 4.29Å; M178-L228 HydrophobicContact CB-CD1 4.46Å; M178-L228 HydrophobicContact CE-CD1 3.51Å; M178-L228 HydrophobicContact CE-CG 4.39Å; M178-L228 PolarHBondContact N-O 3.47Å; M178-L228 PolarHBondContact O-N 3.18Å
179D78.1Confident87.1Confident84 Ų8436.4 Ų36.445%0.44918%0.182SC..EExtended strand (participates in β ladder)trans-104.1119172.1-67.5-47.5000109.5V225 S227D179-V225 HydrophobicContact CB-CG1 4.22Å; D179-S227 WeakPolarHBondContact OD1-CB 3.33Å; D179-S227 PolarHBondContact OD1-OG 3.28Å
180I84.1Confident87Confident4 Ų439.8 Ų39.82%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-128.2134.3-173.3-44.5167.1000109.7A168 M178 L184 C188 L204 V225 L226A168-I180 HydrophobicContact CB-CG1 4.21Å; M178-I180 HydrophobicContact CB-CG1 4.45Å; M178-I180 HydrophobicContact CE-CD1 3.29Å; M178-I180 HydrophobicContact CE-CG1 4.08Å; M178-I180 HydrophobicContact CG-CD1 3.88Å; M178-I180 HydrophobicContact CG-CG1 3.52Å; M178-I180 HydrophobicContact SD-CD1 3.51Å; M178-I180 VanDerWaalsContact SD-CD1 3.51Å; M178-I180 HydrophobicContact SD-CG1 3.72Å; I180-L184 HydrophobicContact CG2-CB 3.8Å; I180-C188 HydrophobicContact CD1-CB 4.1Å; I180-C188 VanDerWaalsContact CG2-SG 3.56Å; I180-L204 HydrophobicContact CD1-CD2 3.53Å; I180-V225 CarbonylContact O-C 3.52Å; I180-V225 WeakPolarHBondContact O-CA 3.44Å; I180-L226 PolarHBondContact N-O 3.37Å; I180-L226 PolarHBondContact O-N 2.74Å
181D81Confident87Confident70 Ų7040 Ų4037%0.37420%0.196SC..EExtended strand (participates in β ladder)trans-65.3136.4165.4-172.3-75.8000110.1S183 L184 K224D181-S183 PolarHBondContact O-N 3.26Å; D181-S183 VanDerWaalsContact OD1-CB 3.23Å; D181-S183 WeakPolarHBondContact OD1-CB 3.15Å; D181-S183 PolarHBondContact OD1-N 3.12Å; D181-S183 PolarHBondContact OD1-OG 3.39Å; D181-L184 HydrophobicContact CB-CD1 4.27Å; D181-L184 HydrophobicContact CB-CG 4.35Å; D181-L184 PolarHBondContact O-N 3.01Å; D181-K224 WeakPolarHBondContact CA-O 3.42Å
182I82.5Confident87.1Confident67 Ų6737.9 Ų37.934%0.34419%0.186SC..G310 helixtrans-54-31.1-177.6-65.7-174.6000112.3L184 V185 V211 V223 K224I182-L184 PolarHBondContact O-N 3.31Å; I182-V185 WeakPolarHBondContact O-CG2 3.22Å; I182-V185 PolarHBondContact O-N 3.32Å; I182-V211 HydrophobicContact CD1-CG1 4Å; I182-V223 HydrophobicContact CD1-CB 3.78Å; I182-V223 HydrophobicContact CD1-CG1 3.81Å; I182-V223 WeakPolarHBondContact CD1-O 3.49Å; I182-K224 PolarHBondContact N-O 3.31Å
183S86.3Confident87.2Confident90 Ų9044.4 Ų44.463%0.62922%0.215SC*.G310 helixtrans-63.7-24.3176.364.90000114D181D181-S183 PolarHBondContact O-N 3.26Å; D181-S183 VanDerWaalsContact OD1-CB 3.23Å; D181-S183 WeakPolarHBondContact OD1-CB 3.15Å; D181-S183 PolarHBondContact OD1-N 3.12Å; D181-S183 PolarHBondContact OD1-OG 3.39Å
184L88.4Confident87.1Confident30 Ų3048.1 Ų48.116%0.15723%0.232CC..G310 helixtrans-99.8-1.8-175.3-60.8178.5000113.7N162 A164 I180 D181 I182 E186 D187 C188N162-L184 WeakPolarHBondContact ND2-CD2 3.33Å; A164-L184 HydrophobicContact CB-CD1 3.62Å; I180-L184 HydrophobicContact CG2-CB 3.8Å; D181-L184 HydrophobicContact CB-CD1 4.27Å; D181-L184 HydrophobicContact CB-CG 4.35Å; D181-L184 PolarHBondContact O-N 3.01Å; I182-L184 PolarHBondContact O-N 3.31Å; L184-E186 VanDerWaalsContact C-N 3.29Å; L184-E186 PolarHBondContact O-N 3.05Å; L184-D187 WeakPolarHBondContact O-CB 3.49Å; L184-D187 PolarHBondContact O-N 3.16Å; L184-D187 VanDerWaalsContact O-N 3.16Å; L184-C188 PolarHBondContact O-N 3.32Å; L184-C188 PolarHBondContact O-SG 3.03Å
185V88.6Confident87.1Confident10 Ų1048.6 Ų48.66%0.06124%0.235CC..Hα-helixtrans-56.7-44.2-179.4167.50000111.5I182 D187 C188 R189 C208 L226I182-V185 WeakPolarHBondContact O-CG2 3.22Å; I182-V185 PolarHBondContact O-N 3.32Å; V185-D187 VanDerWaalsContact C-N 3.33Å; V185-D187 PolarHBondContact O-N 3.27Å; V185-C188 PolarHBondContact O-N 3.28Å; V185-R189 WeakPolarHBondContact O-CB 3.42Å; V185-R189 PolarHBondContact O-N 2.83Å; V185-C208 WeakPolarHBondContact CG1-SG 3.46Å; V185-L226 HydrophobicContact CG2-CD1 4.41Å
186E89.8Confident87.4Confident103 Ų10352.9 Ų52.948%0.48125%0.253SS..Hα-helixtrans-66-36.4-179.6-74.8-64.8157.600112.2L184 R189 R190L184-E186 VanDerWaalsContact C-N 3.29Å; L184-E186 PolarHBondContact O-N 3.05Å; E186-R189 VanDerWaalsContact CD-CZ 3.47Å; E186-R189 VanDerWaalsContact CD-NH2 3.32Å; E186-R189 PolarHBondContact O-N 3.19Å; E186-R189 IonicContact OE1-CZ 2.71Å; E186-R189 IonicContact OE1-NH1 2.91Å; E186-R189 PolarHBondContact OE1-NH1 2.97Å; E186-R189 IonicContact OE1-NH2 3.01Å; E186-R189 PolarHBondContact OE1-NH2 3.41Å; E186-R189 IonicContact OE2-CZ 2.83Å; E186-R189 IonicContact OE2-NE 3.91Å; E186-R189 IonicContact OE2-NH1 3.88Å; E186-R189 PolarHBondContact OE2-NH1 3.28Å; E186-R189 IonicContact OE2-NH2 3.84Å; E186-R189 PolarHBondContact OE2-NH2 3.31Å; E186-R190 PolarHBondContact O-N 3.27Å
187D91.5Very high87.6Confident40 Ų4053.7 Ų53.721%0.21426%0.256CS..Hα-helixtrans-66-44.7173.3-74.8-34.4000111.1N162 A165 L184 V185 R190 L191N162-D187 HydrophobicContact CB-CB 4.21Å; N162-D187 PolarHBondContact ND2-OD2 3.42Å; A165-D187 HydrophobicContact CB-CB 3.71Å; L184-D187 WeakPolarHBondContact O-CB 3.49Å; L184-D187 PolarHBondContact O-N 3.16Å; L184-D187 VanDerWaalsContact O-N 3.16Å; V185-D187 VanDerWaalsContact C-N 3.33Å; V185-D187 PolarHBondContact O-N 3.27Å; D187-R190 PolarHBondContact O-N 3.07Å; D187-R190 IonicContact OD1-NH1 2.7Å; D187-L191 WeakPolarHBondContact O-CG 3.18Å; D187-L191 PolarHBondContact O-N 2.82Å
188C91.4Very high87.9Confident0 Ų052.1 Ų52.10%026%0.263CS..Hα-helixtrans-61.6-43.4175.9-64.10000111.2A165 I169 I180 L184 V185 R190 L191 A192 L204A165-C188 VanDerWaalsContact CB-SG 3.59Å; I169-C188 HydrophobicContact CD1-CB 4.38Å; I180-C188 HydrophobicContact CD1-CB 4.1Å; I180-C188 VanDerWaalsContact CG2-SG 3.56Å; L184-C188 PolarHBondContact O-N 3.32Å; L184-C188 PolarHBondContact O-SG 3.03Å; V185-C188 PolarHBondContact O-N 3.28Å; C188-R190 VanDerWaalsContact C-N 3.32Å; C188-R190 PolarHBondContact O-N 2.84Å; C188-L191 PolarHBondContact O-N 3.08Å; C188-A192 WeakPolarHBondContact O-CB 3.41Å; C188-A192 PolarHBondContact O-N 3.24Å; C188-L204 HydrophobicContact CB-CD1 4.28Å
189R91.3Very high88.1Confident100 Ų10056.8 Ų56.838%0.37729%0.288SS..Hα-helixtrans-61-41176.7-167.5178.874.4-159.63.1111.7V185 E186 K193 M201V185-R189 WeakPolarHBondContact O-CB 3.42Å; V185-R189 PolarHBondContact O-N 2.83Å; E186-R189 VanDerWaalsContact CD-CZ 3.47Å; E186-R189 VanDerWaalsContact CD-NH2 3.32Å; E186-R189 PolarHBondContact O-N 3.19Å; E186-R189 IonicContact OE1-CZ 2.71Å; E186-R189 IonicContact OE1-NH1 2.91Å; E186-R189 PolarHBondContact OE1-NH1 2.97Å; E186-R189 IonicContact OE1-NH2 3.01Å; E186-R189 PolarHBondContact OE1-NH2 3.41Å; E186-R189 IonicContact OE2-CZ 2.83Å; E186-R189 IonicContact OE2-NE 3.91Å; E186-R189 IonicContact OE2-NH1 3.88Å; E186-R189 PolarHBondContact OE2-NH1 3.28Å; E186-R189 IonicContact OE2-NH2 3.84Å; E186-R189 PolarHBondContact OE2-NH2 3.31Å; R189-K193 WeakPolarHBondContact O-CB 3.48Å; R189-K193 PolarHBondContact O-N 3.27Å; R189-M201 HydrophobicContact CG-CG 4.37Å
190R91.4Very high88.6Confident75 Ų7552.9 Ų52.928%0.28327%0.267SS..Hα-helixtrans-67.9-37.4177.2-158-175.573-107.9-23.7112.1L160 E186 D187 C188 Q194L160-R190 PolarHBondContact O-NH1 3.4Å; L160-R190 PolarHBondContact O-NH2 3.34Å; E186-R190 PolarHBondContact O-N 3.27Å; D187-R190 PolarHBondContact O-N 3.07Å; D187-R190 IonicContact OD1-NH1 2.7Å; C188-R190 VanDerWaalsContact C-N 3.32Å; C188-R190 PolarHBondContact O-N 2.84Å; R190-Q194 PolarHBondContact O-N 3.05Å; R190-Q194 VanDerWaalsContact O-N 3.12Å
191L92Very high88.8Confident7 Ų755.1 Ų55.14%0.03728%0.278CS..Hα-helixtrans-68-44.4174.8-70.5174.8000111.9I161 A165 F166 I169 D187 C188 K193 Q194 C195I161-L191 HydrophobicContact CG1-CD2 4.14Å; I161-L191 HydrophobicContact CG2-CD2 4.2Å; A165-L191 HydrophobicContact CB-CD1 3.83Å; F166-L191 HydrophobicContact CB-CD1 4.29Å; I169-L191 HydrophobicContact CG1-CB 4.04Å; I169-L191 HydrophobicContact CG1-CD1 4.34Å; D187-L191 WeakPolarHBondContact O-CG 3.18Å; D187-L191 PolarHBondContact O-N 2.82Å; C188-L191 PolarHBondContact O-N 3.08Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.01Å; L191-Q194 WeakPolarHBondContact O-CB 3.4Å; L191-Q194 PolarHBondContact O-N 3.18Å; L191-Q194 VanDerWaalsContact O-N 3.08Å; L191-C195 PolarHBondContact O-N 3.41Å; L191-C195 PolarHBondContact O-SG 3.19Å
192A91.6Very high89.2Confident0 Ų057.5 Ų57.50%029%0.287CS..Hα-helixtrans-57.6-43.3174.900000111.4I169 C188 Q194 C195 K196 M197 L200 M201I169-A192 HydrophobicContact CD1-CB 4.34Å; C188-A192 WeakPolarHBondContact O-CB 3.41Å; C188-A192 PolarHBondContact O-N 3.24Å; A192-Q194 VanDerWaalsContact C-N 3.34Å; A192-Q194 PolarHBondContact O-N 2.9Å; A192-C195 CarbonylContact O-C 3.18Å; A192-C195 PolarHBondContact O-N 3.07Å; A192-K196 PolarHBondContact O-N 3.25Å; A192-K196 VanDerWaalsContact O-N 3.14Å; A192-M197 HydrophobicContact CB-CB 4.41Å; A192-M197 PolarHBondContact O-N 2.96Å; A192-L200 HydrophobicContact CB-CD2 3.95Å; A192-L200 HydrophobicContact CB-CG 4.18Å; A192-M201 HydrophobicContact CB-CG 3.83Å
193K92.1Very high89.4Confident148 Ų14855.4 Ų55.464%0.64328%0.276SS*.Hα-helixtrans-58.3-44.5173.1-171.6175.1-179.3173.50112.6R189 L191 C195 K196 M201R189-K193 WeakPolarHBondContact O-CB 3.48Å; R189-K193 PolarHBondContact O-N 3.27Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.01Å; K193-C195 VanDerWaalsContact C-N 3.31Å; K193-K196 PolarHBondContact O-N 3.36Å; K193-M201 VanDerWaalsContact CA-SD 3.53Å; K193-M201 HydrophobicContact CB-SD 3.51Å; K193-M201 VanDerWaalsContact CB-SD 3.51Å; K193-M201 HydrophobicContact CG-SD 3.97Å
194Q90.1Very high89.5Confident79 Ų7951.2 Ų51.237%0.36925%0.246SC..Hα-helixtrans-66.1-36.5177.9-178.1175.5-20.300111.7Y139 R190 L191 A192 K196Y139-Q194 VanDerWaalsContact CD2-O 3.29Å; Y139-Q194 WeakPolarHBondContact CD2-O 3.48Å; Y139-Q194 HydrophobicContact CE1-CG 4.47Å; Y139-Q194 HydrophobicContact CE2-CG 4.15Å; Y139-Q194 PolarHBondContact OH-NE2 3.18Å; R190-Q194 PolarHBondContact O-N 3.05Å; R190-Q194 VanDerWaalsContact O-N 3.12Å; L191-Q194 WeakPolarHBondContact O-CB 3.4Å; L191-Q194 PolarHBondContact O-N 3.18Å; L191-Q194 VanDerWaalsContact O-N 3.08Å; A192-Q194 VanDerWaalsContact C-N 3.34Å; A192-Q194 PolarHBondContact O-N 2.9Å; Q194-K196 PolarHBondContact O-N 2.71Å
195C89.9Confident89.5Confident9 Ų954.2 Ų54.26%0.06126%0.26CS..THydrogen-bonded Turntrans-78.54.6177.1-58.20000113.5S137 F173 L191 A192 K193 M197S137-C195 PolarHBondContact OG-O 2.92Å; F173-C195 HydrophobicContact CZ-CB 4.3Å; L191-C195 PolarHBondContact O-N 3.41Å; L191-C195 PolarHBondContact O-SG 3.19Å; A192-C195 CarbonylContact O-C 3.18Å; A192-C195 PolarHBondContact O-N 3.07Å; K193-C195 VanDerWaalsContact C-N 3.31Å; C195-M197 VanDerWaalsContact C-N 3.3Å; C195-M197 HydrophobicContact CB-CG 3.89Å; C195-M197 HydrophobicContact CB-SD 3.94Å; C195-M197 PolarHBondContact O-N 3.45Å
196K88.9Confident89.5Confident98 Ų9856.8 Ų56.843%0.42627%0.273SS..THydrogen-bonded Turntrans57.833.9-176.8-54.6-177.6-170.9173.20114.1E138 E142 A192 K193 Q194 A198E138-K196 HydrophobicContact CB-CD 4.32Å; E138-K196 IonicContact OE2-NZ 3.43Å; E142-K196 IonicContact OE1-NZ 3.26Å; E142-K196 PolarHBondContact OE1-NZ 2.88Å; E142-K196 IonicContact OE2-NZ 2.59Å; E142-K196 PolarHBondContact OE2-NZ 3.35Å; A192-K196 PolarHBondContact O-N 3.25Å; A192-K196 VanDerWaalsContact O-N 3.14Å; K193-K196 PolarHBondContact O-N 3.36Å; Q194-K196 PolarHBondContact O-N 2.71Å; K196-A198 PolarHBondContact O-N 3.01Å
197M87.5Confident89.2Confident20 Ų2055 Ų5510%0.09926%0.263CS..  trans-96.386.3-178.4-56.8177.676.800110.7Y172 F173 A192 C195 L200 M201Y172-M197 HydrophobicContact CD1-CE 3.57Å; Y172-M197 HydrophobicContact CE1-CE 3.42Å; Y172-M197 VanDerWaalsContact CE1-CE 3.42Å; F173-M197 HydrophobicContact CD1-CE 4.2Å; F173-M197 HydrophobicContact CE1-CE 3.62Å; F173-M197 HydrophobicContact CE1-SD 3.58Å; F173-M197 VanDerWaalsContact CE1-SD 3.58Å; F173-M197 HydrophobicContact CE2-SD 4.18Å; F173-M197 HydrophobicContact CZ-CE 4.02Å; F173-M197 HydrophobicContact CZ-SD 3.35Å; F173-M197 WeakPolarHBondContact CZ-SD 3.49Å; A192-M197 HydrophobicContact CB-CB 4.41Å; A192-M197 PolarHBondContact O-N 2.96Å; C195-M197 VanDerWaalsContact C-N 3.3Å; C195-M197 HydrophobicContact CB-CG 3.89Å; C195-M197 HydrophobicContact CB-SD 3.94Å; C195-M197 PolarHBondContact O-N 3.45Å; M197-L200 HydrophobicContact CB-CB 4.02Å; M197-L200 HydrophobicContact CE-CB 4.34Å; M197-L200 HydrophobicContact CE-CD2 3.95Å; M197-L200 HydrophobicContact SD-CD2 4.07Å; M197-M201 WeakPolarHBondContact O-CG 3.47Å; M197-M201 PolarHBondContact O-N 3.48Å
198A86.9Confident88.9Confident60 Ų6055 Ų5550%0.49627%0.267SS..Hα-helixtrans-63.7-46.2-179.100000112.4K196 L200 M201 E202K196-A198 PolarHBondContact O-N 3.01Å; A198-L200 PolarHBondContact O-N 3.36Å; A198-M201 HydrophobicContact CB-CE 4.42Å; A198-M201 WeakPolarHBondContact O-CB 3.43Å; A198-M201 PolarHBondContact O-N 3.04Å; A198-M201 VanDerWaalsContact O-N 3.1Å; A198-E202 PolarHBondContact O-N 3.34Å
199D86.9Confident88.6Confident99 Ų9959.8 Ų59.853%0.52929%0.287SS..Hα-helixtrans-61.5-44.5-176.4-53.3-22.4000111.5M201 E202 E203D199-M201 VanDerWaalsContact C-N 3.31Å; D199-M201 PolarHBondContact O-N 3.32Å; D199-E202 PolarHBondContact O-N 3.29Å; D199-E203 WeakPolarHBondContact O-CB 3.33Å; D199-E203 PolarHBondContact O-N 3.28Å
200L88.1Confident88.3Confident1 Ų160.1 Ų60.11%0.00529%0.293CS..Hα-helixtrans-63.6-36.7176.8178.557.9000112.3I169 Y172 M178 A192 M197 A198 E203 L204 L228I169-L200 HydrophobicContact CD1-CD2 3.66Å; Y172-L200 HydrophobicContact CD1-CD1 4.43Å; Y172-L200 HydrophobicContact CD1-CD2 3.82Å; Y172-L200 HydrophobicContact CD2-CD1 3.96Å; Y172-L200 HydrophobicContact CE1-CB 4.24Å; Y172-L200 HydrophobicContact CE1-CD1 4.2Å; Y172-L200 HydrophobicContact CE1-CD2 4Å; Y172-L200 HydrophobicContact CE1-CG 4.37Å; Y172-L200 HydrophobicContact CE2-CD1 3.69Å; Y172-L200 HydrophobicContact CG-CD1 4.29Å; Y172-L200 HydrophobicContact CG-CD2 4.13Å; M178-L200 HydrophobicContact CE-CD1 3.7Å; M178-L200 HydrophobicContact CE-CD2 4.25Å; M178-L200 HydrophobicContact CE-CG 4.47Å; A192-L200 HydrophobicContact CB-CD2 3.95Å; A192-L200 HydrophobicContact CB-CG 4.18Å; M197-L200 HydrophobicContact CB-CB 4.02Å; M197-L200 HydrophobicContact CE-CB 4.34Å; M197-L200 HydrophobicContact CE-CD2 3.95Å; M197-L200 HydrophobicContact SD-CD2 4.07Å; A198-L200 PolarHBondContact O-N 3.36Å; L200-E203 PolarHBondContact O-N 3.12Å; L200-L204 HydrophobicContact CD1-CD1 4.19Å; L200-L204 HydrophobicContact CD1-CG 4.08Å; L200-L204 HydrophobicContact CG-CD1 4.11Å; L200-L204 HydrophobicContact CG-CG 4.46Å; L200-L204 WeakPolarHBondContact O-CB 3.4Å; L200-L204 VanDerWaalsContact O-CG 3.25Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 2.75Å; L200-L228 HydrophobicContact CD1-CD1 3.42Å; L200-L228 VanDerWaalsContact CD1-CD1 3.42Å
201M89.4Confident87.8Confident52 Ų5258.1 Ų58.126%0.25629%0.289SS..Hα-helixtrans-64.1-43.5175.9-72.4-172.6-6600111.4R189 A192 K193 M197 A198 D199 E205R189-M201 HydrophobicContact CG-CG 4.37Å; A192-M201 HydrophobicContact CB-CG 3.83Å; K193-M201 VanDerWaalsContact CA-SD 3.53Å; K193-M201 HydrophobicContact CB-SD 3.51Å; K193-M201 VanDerWaalsContact CB-SD 3.51Å; K193-M201 HydrophobicContact CG-SD 3.97Å; M197-M201 WeakPolarHBondContact O-CG 3.47Å; M197-M201 PolarHBondContact O-N 3.48Å; A198-M201 HydrophobicContact CB-CE 4.42Å; A198-M201 WeakPolarHBondContact O-CB 3.43Å; A198-M201 PolarHBondContact O-N 3.04Å; A198-M201 VanDerWaalsContact O-N 3.1Å; D199-M201 VanDerWaalsContact C-N 3.31Å; D199-M201 PolarHBondContact O-N 3.32Å; M201-E205 WeakPolarHBondContact O-CB 3.42Å; M201-E205 PolarHBondContact O-N 2.55Å; M201-E205 VanDerWaalsContact O-N 3.07Å
202E88.5Confident87.3Confident119 Ų11966 Ų6656%0.55632%0.32SS*.Hα-helixtrans-66.2-42.4177.5-176.5173.3178.300111.4A198 D199 L204 E205 N206A198-E202 PolarHBondContact O-N 3.34Å; D199-E202 PolarHBondContact O-N 3.29Å; E202-L204 PolarHBondContact O-N 3.01Å; E202-E205 PolarHBondContact O-N 2.89Å; E202-N206 WeakPolarHBondContact O-CB 3.29Å; E202-N206 VanDerWaalsContact O-CG 3.28Å; E202-N206 PolarHBondContact O-N 2.86Å; E202-N206 PolarHBondContact O-ND2 3.41Å
203E87.4Confident86.8Confident24 Ų2471.8 Ų71.811%0.11235%0.346CS..Hα-helixtrans-62.3-45.3178.5-163.7-176.4175.500111.8D199 L200 E205 N206 K207 L228 H231D199-E203 WeakPolarHBondContact O-CB 3.33Å; D199-E203 PolarHBondContact O-N 3.28Å; L200-E203 PolarHBondContact O-N 3.12Å; E203-E205 VanDerWaalsContact C-N 3.35Å; E203-E205 PolarHBondContact O-N 2.91Å; E203-N206 PolarHBondContact O-N 2.8Å; E203-K207 WeakPolarHBondContact O-CB 3.37Å; E203-K207 WeakPolarHBondContact O-CG 3.21Å; E203-K207 PolarHBondContact O-N 3.48Å; E203-L228 HydrophobicContact CG-CD2 4.1Å; E203-H231 IonicContact OE1-CE1 2.78Å
204L87.6Confident86.1Confident1 Ų169 Ų691%0.00534%0.335CS..Hα-helixtrans-59.4-45.2174.2-75.8170.7000111.4M178 I180 C188 L200 E202 K207 C208 L226 L228M178-L204 HydrophobicContact CE-CD1 4.46Å; M178-L204 HydrophobicContact CE-CD2 4.08Å; I180-L204 HydrophobicContact CD1-CD2 3.53Å; C188-L204 HydrophobicContact CB-CD1 4.28Å; L200-L204 HydrophobicContact CD1-CD1 4.19Å; L200-L204 HydrophobicContact CD1-CG 4.08Å; L200-L204 HydrophobicContact CG-CD1 4.11Å; L200-L204 HydrophobicContact CG-CG 4.46Å; L200-L204 WeakPolarHBondContact O-CB 3.4Å; L200-L204 VanDerWaalsContact O-CG 3.25Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 2.75Å; E202-L204 PolarHBondContact O-N 3.01Å; L204-K207 PolarHBondContact O-N 2.87Å; L204-C208 WeakPolarHBondContact O-CB 3.4Å; L204-C208 PolarHBondContact O-N 3.45Å; L204-C208 PolarHBondContact O-SG 3.31Å; L204-L226 HydrophobicContact CD2-CD2 4.28Å; L204-L228 HydrophobicContact CD2-CD1 3.76Å; L204-L228 HydrophobicContact CD2-CD2 4.46Å; L204-L228 HydrophobicContact CD2-CG 4.32Å; L204-L228 HydrophobicContact CG-CD1 4.1Å
205E88.8Confident85.6Confident94 Ų9468 Ų6844%0.43933%0.333SS..Hα-helixtrans-63.6-44.4179.8-169.3-178.9154.700111.8M201 E202 E203 C208 K209M201-E205 WeakPolarHBondContact O-CB 3.42Å; M201-E205 PolarHBondContact O-N 2.55Å; M201-E205 VanDerWaalsContact O-N 3.07Å; E202-E205 PolarHBondContact O-N 2.89Å; E203-E205 VanDerWaalsContact C-N 3.35Å; E203-E205 PolarHBondContact O-N 2.91Å; E205-C208 PolarHBondContact O-N 3.06Å; E205-K209 WeakPolarHBondContact O-CG 3.2Å; E205-K209 PolarHBondContact O-N 2.96Å; E205-K209 VanDerWaalsContact OE1-CE 3.26Å; E205-K209 WeakPolarHBondContact OE1-CE 3.29Å; E205-K209 IonicContact OE1-NZ 3.9Å; E205-K209 PolarHBondContact OE1-NZ 3.45Å
206N87.6Confident85Confident64 Ų6470.9 Ų70.934%0.34235%0.354SS..Hα-helixtrans-64.2-42.7178.7-73.5-23.5000111.7E202 E203 K209 Q210E202-N206 WeakPolarHBondContact O-CB 3.29Å; E202-N206 VanDerWaalsContact O-CG 3.28Å; E202-N206 PolarHBondContact O-N 2.86Å; E202-N206 PolarHBondContact O-ND2 3.41Å; E203-N206 PolarHBondContact O-N 2.8Å; N206-K209 PolarHBondContact O-N 3.24Å; N206-Q210 WeakPolarHBondContact O-CG 3.33Å; N206-Q210 PolarHBondContact O-N 3.01Å
207K83.5Confident84.6Confident64 Ų6472.5 Ų72.528%0.27837%0.367SS..Hα-helixtrans-66.7-38.4176.4-73.8-79-170.8177.10112.3E203 L204 K209 Q210 V211 L226 L228E203-K207 WeakPolarHBondContact O-CB 3.37Å; E203-K207 WeakPolarHBondContact O-CG 3.21Å; E203-K207 PolarHBondContact O-N 3.48Å; L204-K207 PolarHBondContact O-N 2.87Å; K207-K209 PolarHBondContact O-N 3.36Å; K207-Q210 PolarHBondContact O-N 2.74Å; K207-V211 WeakPolarHBondContact O-CG2 3.17Å; K207-V211 PolarHBondContact O-N 3.37Å; K207-L226 HydrophobicContact CB-CD1 4Å; K207-L226 HydrophobicContact CB-CD2 4.17Å; K207-L226 HydrophobicContact CB-CG 4.31Å; K207-L228 HydrophobicContact CB-CD2 4.16Å; K207-L228 HydrophobicContact CD-CD2 4.39Å; K207-L228 HydrophobicContact CG-CD2 3.61Å
208C85.6Confident84.1Confident42 Ų4277 Ų7728%0.28439%0.386SS..Hα-helixtrans-63-41174.2-72.90000112.7V185 L204 E205 V211 Y212V185-C208 WeakPolarHBondContact CG1-SG 3.46Å; L204-C208 WeakPolarHBondContact O-CB 3.4Å; L204-C208 PolarHBondContact O-N 3.45Å; L204-C208 PolarHBondContact O-SG 3.31Å; E205-C208 PolarHBondContact O-N 3.06Å; C208-V211 PolarHBondContact O-N 2.81Å; C208-Y212 WeakPolarHBondContact O-CB 3.4Å; C208-Y212 PolarHBondContact O-N 3.48Å
209K86.3Confident83.1Confident100 Ų10080 Ų8044%0.43540%0.401SS..Hα-helixtrans-60.1-46.8173.5-71.9169.6-175.1161.30111.3E205 N206 K207 V211 Y212 E213E205-K209 WeakPolarHBondContact O-CG 3.2Å; E205-K209 PolarHBondContact O-N 2.96Å; E205-K209 VanDerWaalsContact OE1-CE 3.26Å; E205-K209 WeakPolarHBondContact OE1-CE 3.29Å; E205-K209 IonicContact OE1-NZ 3.9Å; E205-K209 PolarHBondContact OE1-NZ 3.45Å; N206-K209 PolarHBondContact O-N 3.24Å; K207-K209 PolarHBondContact O-N 3.36Å; K209-V211 VanDerWaalsContact C-N 3.35Å; K209-V211 PolarHBondContact O-N 3.26Å; K209-Y212 WeakPolarHBondContact O-CB 3.4Å; K209-Y212 PolarHBondContact O-N 3.38Å; K209-E213 WeakPolarHBondContact O-CG 3.11Å; K209-E213 PolarHBondContact O-N 2.83Å
210Q84.6Confident82.3Confident107 Ų10779.4 Ų79.450%0.542%0.418SS..Hα-helixtrans-59.6-43177.3-70.817213.400112.5N206 K207 Y212 E213 F214N206-Q210 WeakPolarHBondContact O-CG 3.33Å; N206-Q210 PolarHBondContact O-N 3.01Å; K207-Q210 PolarHBondContact O-N 2.74Å; Q210-Y212 VanDerWaalsContact C-N 3.35Å; Q210-E213 PolarHBondContact O-N 3.4Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.37Å; Q210-F214 PolarHBondContact O-N 3.44Å
211V80.9Confident81.4Confident33 Ų3382.2 Ų82.220%0.244%0.435CS..Hα-helixtrans-63.8-42.2176.7171.10000110.9I182 K207 C208 K209 F214 V215 V223 L226I182-V211 HydrophobicContact CD1-CG1 4Å; K207-V211 WeakPolarHBondContact O-CG2 3.17Å; K207-V211 PolarHBondContact O-N 3.37Å; C208-V211 PolarHBondContact O-N 2.81Å; K209-V211 VanDerWaalsContact C-N 3.35Å; K209-V211 PolarHBondContact O-N 3.26Å; V211-F214 PolarHBondContact O-N 3.48Å; V211-V215 HydrophobicContact CG1-CG2 4.34Å; V211-V215 VanDerWaalsContact O-CG2 3.3Å; V211-V215 WeakPolarHBondContact O-CG2 3.24Å; V211-V215 PolarHBondContact O-N 3.31Å; V211-V223 HydrophobicContact CG1-CB 3.95Å; V211-V223 HydrophobicContact CG1-CG1 4.12Å; V211-V223 HydrophobicContact CG1-CG2 4.05Å; V211-L226 HydrophobicContact CG2-CD1 4.34Å
212Y80.8Confident80.2Confident173 Ų17384.5 Ų84.568%0.67846%0.455SS*.Hα-helixtrans-62.8-44.9177.5-178.2-92.2000112.3C208 K209 Q210 F214 S216C208-Y212 WeakPolarHBondContact O-CB 3.4Å; C208-Y212 PolarHBondContact O-N 3.48Å; K209-Y212 WeakPolarHBondContact O-CB 3.4Å; K209-Y212 PolarHBondContact O-N 3.38Å; Q210-Y212 VanDerWaalsContact C-N 3.35Å; Y212-F214 VanDerWaalsContact C-N 3.35Å; Y212-S216 WeakPolarHBondContact O-CB 3.43Å; Y212-S216 PolarHBondContact O-N 2.91Å; Y212-S216 PolarHBondContact O-OG 3.29Å
213E82.3Confident79.3Confident120 Ų12080.7 Ų80.756%0.56144%0.44SS*.Hα-helixtrans-62.4-42.3175.2-72.4177-178.200111.7K209 Q210 S216 N217K209-E213 WeakPolarHBondContact O-CG 3.11Å; K209-E213 PolarHBondContact O-N 2.83Å; Q210-E213 PolarHBondContact O-N 3.4Å; E213-S216 PolarHBondContact O-N 2.92Å; E213-N217 PolarHBondContact O-N 3Å; E213-N217 PolarHBondContact O-ND2 3.27Å; E213-N217 VanDerWaalsContact O-ND2 3.16Å
214F76.9Confident78.6Confident91 Ų9186.4 Ų86.440%0.39947%0.465SS..Hα-helixtrans-63.2-47.4178.6177.4-96.1000112.8Q210 V211 Y212 S216 N217 K218 T221 V223Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.37Å; Q210-F214 PolarHBondContact O-N 3.44Å; V211-F214 PolarHBondContact O-N 3.48Å; Y212-F214 VanDerWaalsContact C-N 3.35Å; F214-S216 VanDerWaalsContact C-N 3.28Å; F214-S216 PolarHBondContact O-N 2.9Å; F214-N217 PolarHBondContact O-N 3.08Å; F214-K218 HydrophobicContact CE2-CD 4.04Å; F214-K218 HydrophobicContact CZ-CD 3.98Å; F214-K218 PolarHBondContact O-N 3.33Å; F214-T221 HydrophobicContact CE1-CG2 3.93Å; F214-V223 HydrophobicContact CD1-CG2 4.26Å; F214-V223 HydrophobicContact CE1-CG2 4.44Å
215V79.1Confident77.9Confident56 Ų5690.1 Ų90.134%0.33949%0.487SS..Hα-helixtrans-63.4-38.2177.61720000110.5V211 N217 K218 V223V211-V215 HydrophobicContact CG1-CG2 4.34Å; V211-V215 VanDerWaalsContact O-CG2 3.3Å; V211-V215 WeakPolarHBondContact O-CG2 3.24Å; V211-V215 PolarHBondContact O-N 3.31Å; V215-N217 VanDerWaalsContact C-N 3.3Å; V215-N217 PolarHBondContact O-N 3.29Å; V215-K218 CarbonylContact O-C 3.6Å; V215-K218 PolarHBondContact O-N 2.87Å; V215-V223 HydrophobicContact CG2-CG2 3.91Å
216S78.1Confident77.4Confident70 Ų7086 Ų8649%0.4947%0.468SS..Hα-helixtrans-63.2-35.3176.7-59.20000112.6Y212 E213 F214Y212-S216 WeakPolarHBondContact O-CB 3.43Å; Y212-S216 PolarHBondContact O-N 2.91Å; Y212-S216 PolarHBondContact O-OG 3.29Å; E213-S216 PolarHBondContact O-N 2.92Å; F214-S216 VanDerWaalsContact C-N 3.28Å; F214-S216 PolarHBondContact O-N 2.9Å
217N80.7Confident76.9Confident132 Ų13285.4 Ų85.471%0.70647%0.469SS*.Hα-helixtrans-81.7-15.8178.9-71.2-32.1000114.2E213 F214 V215E213-N217 PolarHBondContact O-N 3Å; E213-N217 PolarHBondContact O-ND2 3.27Å; E213-N217 VanDerWaalsContact O-ND2 3.16Å; F214-N217 PolarHBondContact O-N 3.08Å; V215-N217 VanDerWaalsContact C-N 3.3Å; V215-N217 PolarHBondContact O-N 3.29Å
218K75.5Confident76.7Confident115 Ų11582.4 Ų82.450%0.546%0.456SS..SBendtrans-13476.9-178.1-68.8-171.9-179.3179.50112F214 V215 G220 T221F214-K218 HydrophobicContact CE2-CD 4.04Å; F214-K218 HydrophobicContact CZ-CD 3.98Å; F214-K218 PolarHBondContact O-N 3.33Å; V215-K218 CarbonylContact O-C 3.6Å; V215-K218 PolarHBondContact O-N 2.87Å; K218-G220 PolarHBondContact O-N 2.78Å; K218-T221 PolarHBondContact O-N 3.32Å; K218-T221 PolarHBondContact O-OG1 3.24Å; K218-T221 VanDerWaalsContact O-OG1 3.1Å
219P67.4Low76.1Confident123 Ų12384.1 Ų84.180%0.79946%0.46SS*.THydrogen-bonded Turntrans-59.5129.4-179.424-32.6000111
220G68.5Low75.2Confident87 Ų8780.8 Ų80.890%0.89745%0.448SS*.THydrogen-bonded Turntrans104.7-5.9-174.800000114.9K218K218-G220 PolarHBondContact O-N 2.78Å
221T70Confident74.2Confident59 Ų5981.4 Ų81.436%0.36245%0.451SS..  trans-93.6123.5175.2-44.60000110.6F214 K218F214-T221 HydrophobicContact CE1-CG2 3.93Å; K218-T221 PolarHBondContact O-N 3.32Å; K218-T221 PolarHBondContact O-OG1 3.24Å; K218-T221 VanDerWaalsContact O-OG1 3.1Å
222C64.1Low73Confident100 Ų10084.2 Ų84.268%0.67647%0.468SS*.  trans-107110.4173.1179.20000108.9
223V68.8Low72.1Confident40 Ų4079 Ų7924%0.24246%0.457CS..  trans-80.2130.3168.1-171.90000106.9I182 V211 F214 V215 V225I182-V223 HydrophobicContact CD1-CB 3.78Å; I182-V223 HydrophobicContact CD1-CG1 3.81Å; I182-V223 WeakPolarHBondContact CD1-O 3.49Å; V211-V223 HydrophobicContact CG1-CB 3.95Å; V211-V223 HydrophobicContact CG1-CG1 4.12Å; V211-V223 HydrophobicContact CG1-CG2 4.05Å; F214-V223 HydrophobicContact CD1-CG2 4.26Å; F214-V223 HydrophobicContact CE1-CG2 4.44Å; V215-V223 HydrophobicContact CG2-CG2 3.91Å; V223-V225 WeakPolarHBondContact CG1-O 3.46Å
224K73.4Confident71.7Confident144 Ų14476 Ų7663%0.62644%0.442SS*.  trans-110.7-34.6178.9-67.6-174.4177.7-178.20112.4D181 I182D181-K224 WeakPolarHBondContact CA-O 3.42Å; I182-K224 PolarHBondContact N-O 3.31Å
225V74.1Confident71.9Confident79 Ų7972 Ų7248%0.47943%0.425SS..EExtended strand (participates in β ladder)trans-117.9135-177.4-177.40000108.9D179 I180 V223D179-V225 HydrophobicContact CB-CG1 4.22Å; I180-V225 CarbonylContact O-C 3.52Å; I180-V225 WeakPolarHBondContact O-CA 3.44Å; V223-V225 WeakPolarHBondContact CG1-O 3.46Å
226L76.9Confident72Confident7 Ų771.9 Ų71.94%0.03742%0.421CS..EExtended strand (participates in β ladder)trans-108.3121.3170.8-176151.8000107.5I180 V185 L204 K207 V211 L228I180-L226 PolarHBondContact N-O 3.37Å; I180-L226 PolarHBondContact O-N 2.74Å; V185-L226 HydrophobicContact CG2-CD1 4.41Å; L204-L226 HydrophobicContact CD2-CD2 4.28Å; K207-L226 HydrophobicContact CB-CD1 4Å; K207-L226 HydrophobicContact CB-CD2 4.17Å; K207-L226 HydrophobicContact CB-CG 4.31Å; V211-L226 HydrophobicContact CG2-CD1 4.34Å; L226-L228 HydrophobicContact CD2-CD2 3.72Å; L226-L228 HydrophobicContact CD2-CG 4.08Å
227S76.9Confident72.1Confident51 Ų5174.6 Ų74.636%0.35743%0.426SS..EExtended strand (participates in β ladder)trans-107.4125178.8-580000110.1M178 D179M178-S227 WeakPolarHBondContact O-CA 3.19Å; D179-S227 WeakPolarHBondContact OD1-CB 3.33Å; D179-S227 PolarHBondContact OD1-OG 3.28Å
228L79.8Confident72.2Confident1 Ų169.9 Ų69.91%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-93.6134166.6-60.2-171.7000109.2Y172 R177 M178 L200 E203 L204 K207 L226Y172-L228 HydrophobicContact CE2-CD1 4.49Å; R177-L228 VanDerWaalsContact CA-O 3.29Å; R177-L228 WeakPolarHBondContact CA-O 3.17Å; M178-L228 HydrophobicContact CB-CB 4.29Å; M178-L228 HydrophobicContact CB-CD1 4.46Å; M178-L228 HydrophobicContact CE-CD1 3.51Å; M178-L228 HydrophobicContact CE-CG 4.39Å; M178-L228 PolarHBondContact N-O 3.47Å; M178-L228 PolarHBondContact O-N 3.18Å; L200-L228 HydrophobicContact CD1-CD1 3.42Å; L200-L228 VanDerWaalsContact CD1-CD1 3.42Å; E203-L228 HydrophobicContact CG-CD2 4.1Å; L204-L228 HydrophobicContact CD2-CD1 3.76Å; L204-L228 HydrophobicContact CD2-CD2 4.46Å; L204-L228 HydrophobicContact CD2-CG 4.32Å; L204-L228 HydrophobicContact CG-CD1 4.1Å; K207-L228 HydrophobicContact CB-CD2 4.16Å; K207-L228 HydrophobicContact CD-CD2 4.39Å; K207-L228 HydrophobicContact CG-CD2 3.61Å; L226-L228 HydrophobicContact CD2-CD2 3.72Å; L226-L228 HydrophobicContact CD2-CG 4.08Å
229E72.6Confident72.7Confident78 Ų7864.4 Ų64.436%0.36438%0.376SS..  trans-115142179.7-73.4-68.6165.800108.4R177R177-E229 WeakPolarHBondContact CD-OE2 3.37Å; R177-E229 IonicContact CZ-OE2 3.74Å; R177-E229 IonicContact NE-OE2 2.65Å; R177-E229 PolarHBondContact NE-OE2 3.32Å; R177-E229 VanDerWaalsContact NE-OE2 3.16Å; R177-E229 IonicContact NH1-OE1 2.69Å; R177-E229 IonicContact NH1-OE2 3.51Å; R177-E229 PolarHBondContact NH1-OE2 2.89Å; R177-E229 IonicContact NH2-OE2 3.22Å
230P67.5Low73.6Confident30 Ų3059.7 Ų59.720%0.19535%0.347CS..  trans-72.4142.6-170.726.4-13000109.5R177R177-P230 HydrophobicContact CG-CB 4.42Å; R177-P230 VanDerWaalsContact CG-CD 3.47Å; R177-P230 HydrophobicContact CG-CG 3.65Å
231H63.3Low74.4Confident121 Ų12158.2 Ų58.256%0.5632%0.317SS*.  trans-67.9138.6163.5-60.5-21000108.9E203 C233E203-H231 IonicContact OE1-CE1 2.78Å; H231-C233 PolarHBondContact O-N 3.24Å
232T56.9Low75.3Confident92 Ų9255.4 Ų55.456%0.56430%0.299SS*.THydrogen-bonded Turntrans-64.2-9.3-15634.40000116.8R94R94-T232 VanDerWaalsContact NH1-CG2 3.33Å
233C61.8Low76.5Confident64 Ų6450.6 Ų50.643%0.43227%0.267SS..THydrogen-bonded Turntrans-133.1-18.5-176.4-53.70000115.5H231 L235 Q236 E237H231-C233 PolarHBondContact O-N 3.24Å; C233-L235 PolarHBondContact O-N 2.91Å; C233-Q236 PolarHBondContact O-N 2.67Å; C233-E237 WeakPolarHBondContact O-CG 3.17Å; C233-E237 PolarHBondContact O-N 2.92Å; C233-E237 VanDerWaalsContact O-N 3.12Å
234Q73.5Confident77.3Confident55 Ų5551.5 Ų51.526%0.25727%0.271SS..Hα-helixtrans-63.3-42.7-168.4-178173.26.200113.2Q236 E237 E238Q234-Q236 VanDerWaalsContact C-N 3.32Å; Q234-Q236 PolarHBondContact O-N 3.47Å; Q234-E237 PolarHBondContact O-N 2.86Å; Q234-E238 HydrophobicContact CG-CG 4.46Å; Q234-E238 VanDerWaalsContact CG-OE1 3.24Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.45Å; Q234-E238 PolarHBondContact NE2-OE1 3.11Å; Q234-E238 WeakPolarHBondContact O-CB 2.96Å; Q234-E238 VanDerWaalsContact O-CG 3.31Å; Q234-E238 WeakPolarHBondContact O-CG 3.36Å; Q234-E238 PolarHBondContact O-N 3.47Å
235L81Confident77.9Confident8 Ų845 Ų454%0.04224%0.243CC..Hα-helixtrans-62.5-39.6179.1172.365.6000112.1N102 L105 R136 C233 E238 M239N102-L235 WeakPolarHBondContact OD1-CD2 3.36Å; L105-L235 HydrophobicContact CD1-CD1 4.3Å; L105-L235 HydrophobicContact CD1-CD2 3.89Å; L105-L235 HydrophobicContact CD1-CG 4.3Å; R136-L235 VanDerWaalsContact NH1-CD1 3.29Å; C233-L235 PolarHBondContact O-N 2.91Å; L235-E238 PolarHBondContact O-N 3.42Å; L235-M239 HydrophobicContact CD1-CE 3.75Å; L235-M239 HydrophobicContact CD1-CG 4.13Å; L235-M239 VanDerWaalsContact O-CG 3.23Å; L235-M239 WeakPolarHBondContact O-CG 3.29Å; L235-M239 PolarHBondContact O-N 3.26Å
236Q81.2Confident78.6Confident54 Ų5441.3 Ų41.325%0.25222%0.221SC..Hα-helixtrans-71.3-38.6-178.5-69.2170.3-58.500111.3F101 C233 Q234 M239 A240 T337F101-Q236 HydrophobicContact CD1-CG 4.38Å; F101-Q236 HydrophobicContact CE1-CG 4.32Å; C233-Q236 PolarHBondContact O-N 2.67Å; Q234-Q236 VanDerWaalsContact C-N 3.32Å; Q234-Q236 PolarHBondContact O-N 3.47Å; Q236-M239 PolarHBondContact O-N 2.97Å; Q236-A240 WeakPolarHBondContact O-CB 3.42Å; Q236-A240 PolarHBondContact O-N 2.91Å; Q236-T337 PolarHBondContact NE2-O 2.95Å
237E80.4Confident79.1Confident127 Ų12741.4 Ų41.459%0.59322%0.222SC*.Hα-helixtrans-63.1-42.3173.1-69.9170.4-167.100111.7C233 Q234 A240C233-E237 WeakPolarHBondContact O-CG 3.17Å; C233-E237 PolarHBondContact O-N 2.92Å; C233-E237 VanDerWaalsContact O-N 3.12Å; Q234-E237 PolarHBondContact O-N 2.86Å; E237-A240 WeakPolarHBondContact O-CB 3.5Å; E237-A240 PolarHBondContact O-N 3.33Å
238E81.8Confident79.5Confident33 Ų3339.3 Ų39.315%0.15421%0.207CC..Hα-helixtrans-66-37.8175.9-71.9170.6-173.100111.9R136 Q234 L235 Q241R136-E238 IonicContact CZ-OE2 2.7Å; R136-E238 IonicContact NE-OE2 3.43Å; R136-E238 PolarHBondContact NE-OE2 3Å; R136-E238 IonicContact NH2-OE2 3.17Å; R136-E238 PolarHBondContact NH2-OE2 3.44Å; Q234-E238 HydrophobicContact CG-CG 4.46Å; Q234-E238 VanDerWaalsContact CG-OE1 3.24Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.45Å; Q234-E238 PolarHBondContact NE2-OE1 3.11Å; Q234-E238 WeakPolarHBondContact O-CB 2.96Å; Q234-E238 VanDerWaalsContact O-CG 3.31Å; Q234-E238 WeakPolarHBondContact O-CG 3.36Å; Q234-E238 PolarHBondContact O-N 3.47Å; L235-E238 PolarHBondContact O-N 3.42Å; E238-Q241 WeakPolarHBondContact O-CB 3.38Å; E238-Q241 PolarHBondContact O-N 3.12Å
239M86.8Confident79.4Confident0 Ų043.6 Ų43.60%023%0.233CC..Hα-helixtrans-73.5-26174.5-64.6-63136.500112.9F101 V132 R136 L235 Q236 Q241 L242 F287 Y336F101-M239 HydrophobicContact CE1-CG 4.44Å; F101-M239 HydrophobicContact CZ-CB 4.32Å; F101-M239 HydrophobicContact CZ-CG 4.19Å; V132-M239 HydrophobicContact CG1-CE 4.06Å; R136-M239 HydrophobicContact CG-CE 3.85Å; L235-M239 HydrophobicContact CD1-CE 3.75Å; L235-M239 HydrophobicContact CD1-CG 4.13Å; L235-M239 VanDerWaalsContact O-CG 3.23Å; L235-M239 WeakPolarHBondContact O-CG 3.29Å; L235-M239 PolarHBondContact O-N 3.26Å; Q236-M239 PolarHBondContact O-N 2.97Å; M239-Q241 PolarHBondContact O-N 3.06Å; M239-L242 WeakPolarHBondContact O-CB 3.43Å; M239-L242 PolarHBondContact O-N 3.02Å; M239-L242 HydrophobicContact SD-CD1 3.93Å; M239-F287 HydrophobicContact SD-CE1 4.45Å; M239-F287 HydrophobicContact SD-CZ 4.1Å; M239-Y336 WeakPolarHBondContact CB-O 3.47Å
240A85.8Confident79.8Confident23 Ų2345.5 Ų45.519%0.1924%0.242CC..Hα-helixtrans-60.5-30.217500000112.1Q236 E237 L242 A243 D244 T337Q236-A240 WeakPolarHBondContact O-CB 3.42Å; Q236-A240 PolarHBondContact O-N 2.91Å; E237-A240 WeakPolarHBondContact O-CB 3.5Å; E237-A240 PolarHBondContact O-N 3.33Å; A240-L242 PolarHBondContact O-N 3.47Å; A240-A243 WeakPolarHBondContact O-CA 3.4Å; A240-A243 VanDerWaalsContact O-CB 3.29Å; A240-A243 WeakPolarHBondContact O-CB 3.35Å; A240-A243 PolarHBondContact O-N 2.96Å; A240-D244 PolarHBondContact O-N 3.22Å; A240-T337 VanDerWaalsContact CA-CG2 3.49Å; A240-T337 HydrophobicContact CB-CG2 3.61Å
241Q86Confident80.4Confident56 Ų5645.8 Ų45.826%0.26224%0.242SC..Hα-helixtrans-59.1-32.6174.3-58177.313.400112.1E238 M239 D244 C245 F266E238-Q241 WeakPolarHBondContact O-CB 3.38Å; E238-Q241 PolarHBondContact O-N 3.12Å; M239-Q241 PolarHBondContact O-N 3.06Å; Q241-D244 PolarHBondContact O-N 3Å; Q241-C245 WeakPolarHBondContact O-CB 3.49Å; Q241-C245 PolarHBondContact O-N 3.12Å; Q241-C245 PolarHBondContact O-SG 3.35Å; Q241-F266 HydrophobicContact CB-CE1 4.22Å; Q241-F266 HydrophobicContact CB-CZ 4.29Å
242L88.9Confident80.8Confident0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-69.3-35174.5-64.4175.6000111.8C131 A135 M239 A240 A246 F266 T268 F287 Y336C131-L242 HydrophobicContact CB-CD2 4.05Å; A135-L242 HydrophobicContact CB-CD1 4.5Å; A135-L242 HydrophobicContact CB-CD2 4.16Å; A135-L242 HydrophobicContact CB-CG 4.2Å; M239-L242 WeakPolarHBondContact O-CB 3.43Å; M239-L242 PolarHBondContact O-N 3.02Å; M239-L242 HydrophobicContact SD-CD1 3.93Å; A240-L242 PolarHBondContact O-N 3.47Å; L242-A246 WeakPolarHBondContact O-CB 3.2Å; L242-A246 PolarHBondContact O-N 2.92Å; L242-A246 VanDerWaalsContact O-N 3.12Å; L242-F266 HydrophobicContact CD2-CE2 3.75Å; L242-F266 HydrophobicContact CD2-CZ 3.92Å; L242-T268 HydrophobicContact CD2-CG2 4.27Å; L242-F287 HydrophobicContact CD1-CE2 4.17Å; L242-F287 HydrophobicContact CD1-CZ 3.92Å; L242-Y336 HydrophobicContact CB-CD1 3.79Å; L242-Y336 HydrophobicContact CB-CE1 3.97Å; L242-Y336 HydrophobicContact CB-CG 4.42Å; L242-Y336 HydrophobicContact CD1-CD1 4.37Å
243A88.4Confident80.7Confident0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-66.9-43.9173.500000111.1A240 C245 A246 L247 M332 Y333 Y336A240-A243 WeakPolarHBondContact O-CA 3.4Å; A240-A243 VanDerWaalsContact O-CB 3.29Å; A240-A243 WeakPolarHBondContact O-CB 3.35Å; A240-A243 PolarHBondContact O-N 2.96Å; A243-C245 VanDerWaalsContact C-N 3.32Å; A243-C245 PolarHBondContact O-N 2.94Å; A243-A246 WeakPolarHBondContact O-CB 3.44Å; A243-A246 PolarHBondContact O-N 2.97Å; A243-L247 PolarHBondContact O-N 2.75Å; A243-M332 HydrophobicContact CB-CE 4.19Å; A243-M332 WeakPolarHBondContact O-CE 3.38Å; A243-Y333 HydrophobicContact CB-CD1 3.68Å; A243-Y333 HydrophobicContact CB-CE1 3.73Å; A243-Y333 HydrophobicContact CB-CG 4.14Å; A243-Y336 HydrophobicContact CB-CD2 3.86Å; A243-Y336 HydrophobicContact CB-CG 4.19Å
244D86.4Confident80.1Confident58 Ų5843.7 Ų43.731%0.3124%0.242SC..Hα-helixtrans-61.6-41.5177.4-62.9-27000111.7A240 Q241 A246 L247 R252 Y333A240-D244 PolarHBondContact O-N 3.22Å; Q241-D244 PolarHBondContact O-N 3Å; D244-A246 PolarHBondContact O-N 3.05Å; D244-L247 WeakPolarHBondContact O-CB 3.34Å; D244-L247 PolarHBondContact O-N 2.85Å; D244-R252 PolarHBondContact O-NE 3.43Å; D244-R252 PolarHBondContact O-NH2 3.03Å; D244-Y333 WeakPolarHBondContact OD1-CE1 3.37Å; D244-Y333 PolarHBondContact OD1-OH 3.38Å
245C85.9Confident79Confident8 Ų847.3 Ų47.35%0.05426%0.257CS..Hα-helixtrans-69.5-20.8176-66.20000113.1Q241 A243 R252 T268Q241-C245 WeakPolarHBondContact O-CB 3.49Å; Q241-C245 PolarHBondContact O-N 3.12Å; Q241-C245 PolarHBondContact O-SG 3.35Å; A243-C245 VanDerWaalsContact C-N 3.32Å; A243-C245 PolarHBondContact O-N 2.94Å; C245-R252 PolarHBondContact O-NH2 3.4Å; C245-T268 HydrophobicContact CB-CG2 3.44Å; C245-T268 VanDerWaalsContact CB-CG2 3.44Å
246A88.1Confident77.4Confident2 Ų250.8 Ų50.82%0.01730%0.295CS..Hα-helixtrans-81.6-18.1176.500000113.2L242 A243 D244 F281 L282 M332 Y336L242-A246 WeakPolarHBondContact O-CB 3.2Å; L242-A246 PolarHBondContact O-N 2.92Å; L242-A246 VanDerWaalsContact O-N 3.12Å; A243-A246 WeakPolarHBondContact O-CB 3.44Å; A243-A246 PolarHBondContact O-N 2.97Å; D244-A246 PolarHBondContact O-N 3.05Å; A246-F281 WeakPolarHBondContact O-CA 3.36Å; A246-L282 WeakPolarHBondContact CA-O 3.49Å; A246-L282 WeakPolarHBondContact CB-O 3.36Å; A246-L282 PolarHBondContact O-N 3.3Å; A246-M332 HydrophobicContact CB-CE 4.41Å; A246-M332 HydrophobicContact CB-CG 4.41Å; A246-M332 HydrophobicContact CB-SD 3.48Å; A246-M332 WeakPolarHBondContact CB-SD 3.3Å; A246-Y336 HydrophobicContact CB-CE2 4.36Å
247L87.2Confident75.6Confident8 Ų853.7 Ų53.74%0.04231%0.308CS..SBendtrans-66.3137176.7-74.1173.2000111.9A243 D244 R252 F281 I329 M332 Y333A243-L247 PolarHBondContact O-N 2.75Å; D244-L247 WeakPolarHBondContact O-CB 3.34Å; D244-L247 PolarHBondContact O-N 2.85Å; L247-R252 HydrophobicContact CB-CG 3.96Å; L247-R252 VanDerWaalsContact O-CZ 3.25Å; L247-R252 PolarHBondContact O-NE 2.97Å; L247-R252 PolarHBondContact O-NH2 3.26Å; L247-F281 HydrophobicContact CD2-CE1 4.13Å; L247-I329 HydrophobicContact CD2-CD1 4.14Å; L247-I329 HydrophobicContact CD2-CG1 3.75Å; L247-I329 HydrophobicContact CD2-CG2 4.33Å; L247-M332 HydrophobicContact CD2-CE 3.64Å; L247-M332 HydrophobicContact CG-CE 3.79Å; L247-Y333 HydrophobicContact CD1-CE2 4.24Å; L247-Y333 WeakPolarHBondContact CD1-OH 3.48Å
248P85.7Confident73.7Confident7 Ų753.9 Ų53.95%0.04531%0.313CS..  trans-57141.9168.7-17.725000111.4E250 L251 R252 F279 D280 F281P248-E250 VanDerWaalsContact CB-OE2 3.31Å; P248-E250 WeakPolarHBondContact CB-OE2 3.3Å; P248-E250 PolarHBondContact O-N 3.22Å; P248-E250 VanDerWaalsContact O-N 3.11Å; P248-L251 HydrophobicContact CB-CD1 4.47Å; P248-L251 HydrophobicContact CB-CG 4.45Å; P248-L251 HydrophobicContact CG-CD1 3.96Å; P248-L251 HydrophobicContact CG-CG 4.47Å; P248-L251 PolarHBondContact O-N 3.48Å; P248-R252 WeakPolarHBondContact O-CG 3.33Å; P248-R252 PolarHBondContact O-N 2.96Å; P248-F279 HydrophobicContact CB-CB 4.43Å; P248-F279 HydrophobicContact CB-CD1 4.32Å; P248-F279 HydrophobicContact CG-CB 3.85Å; P248-F279 HydrophobicContact CG-CD1 4.48Å; P248-D280 WeakPolarHBondContact CG-O 3.3Å; P248-F281 VanDerWaalsContact CD-CD1 3.46Å; P248-F281 VanDerWaalsContact CD-CE1 3.44Å; P248-F281 HydrophobicContact CG-CD1 4.04Å; P248-F281 HydrophobicContact CG-CD2 4.14Å; P248-F281 HydrophobicContact CG-CE1 3.95Å; P248-F281 HydrophobicContact CG-CE2 4.04Å; P248-F281 HydrophobicContact CG-CG 4.13Å; P248-F281 HydrophobicContact CG-CZ 3.95Å
249T78.6Confident71.9Confident91 Ų9156.7 Ų56.756%0.55833%0.334SS*.THydrogen-bonded Turntrans-58.3-29.2-177.237.90000113.5L251T249-L251 VanDerWaalsContact C-N 3.33Å
250E81.1Confident69.9Low119 Ų11965 Ų6556%0.55637%0.37SS*.THydrogen-bonded Turntrans-69.1-32.3-179.5-58.868-142.800111.8P248 F279P248-E250 VanDerWaalsContact CB-OE2 3.31Å; P248-E250 WeakPolarHBondContact CB-OE2 3.3Å; P248-E250 PolarHBondContact O-N 3.22Å; P248-E250 VanDerWaalsContact O-N 3.11Å; E250-F279 HydrophobicContact CB-CD1 4.39Å; E250-F279 HydrophobicContact CB-CE1 3.97Å
251L78.7Confident67.9Low35 Ų3568.7 Ų68.718%0.18339%0.387CS..THydrogen-bonded Turntrans-92-13.1-175.8-61.6-179.8000112.9P248 T249 V253 F279 F281 H325 I329P248-L251 HydrophobicContact CB-CD1 4.47Å; P248-L251 HydrophobicContact CB-CG 4.45Å; P248-L251 HydrophobicContact CG-CD1 3.96Å; P248-L251 HydrophobicContact CG-CG 4.47Å; P248-L251 PolarHBondContact O-N 3.48Å; T249-L251 VanDerWaalsContact C-N 3.33Å; L251-V253 PolarHBondContact O-N 3.46Å; L251-F279 HydrophobicContact CD1-CB 4.37Å; L251-F279 HydrophobicContact CD1-CD1 3.94Å; L251-F279 HydrophobicContact CD1-CD2 4.28Å; L251-F279 HydrophobicContact CD1-CE1 4.28Å; L251-F279 HydrophobicContact CD1-CG 3.94Å; L251-F279 HydrophobicContact CD2-CD1 4.19Å; L251-F279 HydrophobicContact CD2-CE1 3.68Å; L251-F279 HydrophobicContact CD2-CE2 4.28Å; L251-F279 HydrophobicContact CD2-CZ 3.73Å; L251-F279 HydrophobicContact CG-CD1 3.87Å; L251-F279 HydrophobicContact CG-CE1 3.85Å; L251-F279 HydrophobicContact CG-CG 4.38Å; L251-F279 HydrophobicContact CG-CZ 4.33Å; L251-F281 HydrophobicContact CD1-CZ 3.98Å; L251-H325 HydrophobicContact CD1-CB 4.38Å; L251-I329 HydrophobicContact CD1-CD1 4.26Å
252R71.8Confident66.1Low63 Ų6377 Ų7724%0.23842%0.416CS..G310 helixtrans-67.8-16.1178.5-66.3-178.9-168.4-172.91.8113.7D244 C245 L247 P248 G254 V263 D264D244-R252 PolarHBondContact O-NE 3.43Å; D244-R252 PolarHBondContact O-NH2 3.03Å; C245-R252 PolarHBondContact O-NH2 3.4Å; L247-R252 HydrophobicContact CB-CG 3.96Å; L247-R252 VanDerWaalsContact O-CZ 3.25Å; L247-R252 PolarHBondContact O-NE 2.97Å; L247-R252 PolarHBondContact O-NH2 3.26Å; P248-R252 WeakPolarHBondContact O-CG 3.33Å; P248-R252 PolarHBondContact O-N 2.96Å; R252-G254 VanDerWaalsContact C-N 3.28Å; R252-G254 PolarHBondContact O-N 3.1Å; R252-V263 PolarHBondContact NH1-O 3.45Å; R252-D264 IonicContact CZ-OD1 3.86Å; R252-D264 IonicContact NH1-OD1 2.66Å; R252-D264 PolarHBondContact NH1-OD1 2.85Å; R252-D264 IonicContact NH2-OD1 3.36Å
253V55.3Low64.4Low100 Ų10079.6 Ų79.661%0.60643%0.431SS*.G310 helixtrans-79.1-6.2-172.1-166.90000113.2L251L251-V253 PolarHBondContact O-N 3.46Å
254G49.9Very low62.9Low70 Ų7084.8 Ų84.872%0.72246%0.459SS*.G310 helixtrans-81.5-15.6-176.100000116.6R252 G256R252-G254 VanDerWaalsContact C-N 3.28Å; R252-G254 PolarHBondContact O-N 3.1Å; G254-G256 PolarHBondContact O-N 3.46Å
255F49.2Very low61.8Low132 Ų13287.9 Ų87.958%0.57948%0.475SS*.SBendtrans-95.132.1-172-71.7-79.2000114.7E257 V341F255-E257 PolarHBondContact O-N 3.09Å; F255-V341 HydrophobicContact CE1-CG1 4.27Å; F255-V341 HydrophobicContact CZ-CG1 4.21Å
256G47.4Very low61.2Low80 Ų8088.3 Ų88.383%0.82548%0.476SS*.SBendtrans70.23.7170.700000116.3G254G254-G256 PolarHBondContact O-N 3.46Å
257E45.3Very low60.8Low116 Ų11689.8 Ų89.854%0.54249%0.485SS..  trans-94136.6175.7-65.9-156168.200112.5F255 N261F255-E257 PolarHBondContact O-N 3.09Å; E257-N261 WeakPolarHBondContact OE2-CB 3.29Å; E257-N261 PolarHBondContact OE2-ND2 2.55Å
258L39.6Very low60.5Low130 Ų13090.4 Ų90.468%0.68149%0.489SS*.  trans-63.6147.6178.9-72163.4000110.8F260 N261L258-F260 PolarHBondContact O-N 3.47Å; L258-N261 PolarHBondContact O-N 2.88Å
259P43.4Very low60.6Low92 Ų9293.2 Ų93.260%0.59750%0.499SS*.THydrogen-bonded Turntrans-62.65.5-17524-34.5000116.2
260F45.9Very low61.1Low176 Ų17689.8 Ų89.877%0.77248%0.479SS*.THydrogen-bonded Turntrans-103.2-10.7177.3-52-71.3000113.5L258 R262L258-F260 PolarHBondContact O-N 3.47Å; F260-R262 PolarHBondContact O-N 2.89Å
261N42.8Very low61.6Low99 Ų9986.6 Ų86.653%0.52947%0.466SS..SBendtrans-79.464.9169.2-85.85.8000109.8E257 L258 V263E257-N261 WeakPolarHBondContact OE2-CB 3.29Å; E257-N261 PolarHBondContact OE2-ND2 2.55Å; L258-N261 PolarHBondContact O-N 2.88Å; N261-V263 PolarHBondContact O-N 2.86Å
262R49.2Very low62.1Low232 Ų23285 Ų8588%0.87546%0.457SS*.  trans-65.2103.1-179.7-76.8-170.7176.5-154.7-1.4110.8F260 D264F260-R262 PolarHBondContact O-N 2.89Å; R262-D264 PolarHBondContact O-N 3.02Å
263V53.2Low63.1Low54 Ų5482 Ų8233%0.32745%0.446SS..  trans-76.3101166.1-177.60000108.4R252 N261R252-V263 PolarHBondContact NH1-O 3.45Å; N261-V263 PolarHBondContact O-N 2.86Å
264D55.8Low64.9Low108 Ų10877.2 Ų77.258%0.57842%0.417SS*.  trans-146.886.7134.3-77.3-27.5000103.2R252 R262 F266R252-D264 IonicContact CZ-OD1 3.86Å; R252-D264 IonicContact NH1-OD1 2.66Å; R252-D264 PolarHBondContact NH1-OD1 2.85Å; R252-D264 IonicContact NH2-OD1 3.36Å; R262-D264 PolarHBondContact O-N 3.02Å; D264-F266 PolarHBondContact O-N 2.86Å
265L63.2Low66.9Low123 Ų12377 Ų7764%0.64439%0.394SS*.  trans-60.9-25.5-173.2-74.6157.2000111.9
266F73.8Confident68.9Low18 Ų1870.7 Ų70.78%0.07937%0.367CS..SBendtrans-161.6160-177.453.9-88.8000110.8A135 T141 Q241 L242 D264 T268A135-F266 HydrophobicContact CB-CE1 4.23Å; A135-F266 HydrophobicContact CB-CE2 3.83Å; A135-F266 HydrophobicContact CB-CZ 3.5Å; T141-F266 HydrophobicContact CG2-CB 3.9Å; Q241-F266 HydrophobicContact CB-CE1 4.22Å; Q241-F266 HydrophobicContact CB-CZ 4.29Å; L242-F266 HydrophobicContact CD2-CE2 3.75Å; L242-F266 HydrophobicContact CD2-CZ 3.92Å; D264-F266 PolarHBondContact O-N 2.86Å; F266-T268 HydrophobicContact CD2-CG2 4.12Å; F266-T268 HydrophobicContact CE2-CG2 3.76Å; F266-T268 HydrophobicContact CZ-CG2 4.43Å; F266-T268 PolarHBondContact O-N 3.24Å
267P80.6Confident71Confident33 Ų3372.4 Ų72.421%0.21435%0.353CS..  trans-65.3123172.127.4-35.4000111.1T141 E145 Y269T141-P267 HydrophobicContact CG2-CG 4.3Å; E145-P267 HydrophobicContact CG-CG 4.01Å; E145-P267 WeakPolarHBondContact OE1-CG 2.99Å; P267-Y269 HydrophobicContact CB-CD2 4.39Å; P267-Y269 HydrophobicContact CB-CE2 3.74Å; P267-Y269 HydrophobicContact CG-CE2 3.8Å; P267-Y269 WeakPolarHBondContact O-CD2 3.36Å; P267-Y269 WeakPolarHBondContact O-CE2 3.32Å
268T80.9Confident72.9Confident20 Ų2070 Ų7012%0.12336%0.359CS..  trans-92-19.2-175530000114.7C131 L242 C245 F266 H284C131-T268 VanDerWaalsContact CB-O 3.24Å; C131-T268 WeakPolarHBondContact CB-O 3.44Å; L242-T268 HydrophobicContact CD2-CG2 4.27Å; C245-T268 HydrophobicContact CB-CG2 3.44Å; C245-T268 VanDerWaalsContact CB-CG2 3.44Å; F266-T268 HydrophobicContact CD2-CG2 4.12Å; F266-T268 HydrophobicContact CE2-CG2 3.76Å; F266-T268 HydrophobicContact CZ-CG2 4.43Å; F266-T268 PolarHBondContact O-N 3.24Å; T268-H284 PolarHBondContact O-NE2 2.77Å
269Y87.6Confident75.4Confident66 Ų6666.3 Ų66.326%0.25934%0.338SS..  trans56.356179.5-51.9-88.5000113.7R130 F144 P267 D271R130-Y269 HydrophobicContact CB-CD2 3.46Å; R130-Y269 VanDerWaalsContact CB-CD2 3.46Å; R130-Y269 HydrophobicContact CB-CE2 3.82Å; R130-Y269 HydrophobicContact CB-CG 3.96Å; R130-Y269 HydrophobicContact CG-CD2 4.34Å; R130-Y269 HydrophobicContact CG-CE2 4.48Å; F144-Y269 VanDerWaalsContact CB-OH 3.23Å; F144-Y269 WeakPolarHBondContact CB-OH 3.32Å; P267-Y269 HydrophobicContact CB-CD2 4.39Å; P267-Y269 HydrophobicContact CB-CE2 3.74Å; P267-Y269 HydrophobicContact CG-CE2 3.8Å; P267-Y269 WeakPolarHBondContact O-CD2 3.36Å; P267-Y269 WeakPolarHBondContact O-CE2 3.32Å; Y269-D271 PolarHBondContact O-N 3.22Å
270P89.6Confident77.6Confident20 Ų2064.1 Ų64.113%0.1332%0.321CS..  trans-64.4136.4176.729.9-35.2000110.5L282 C283P270-L282 HydrophobicContact CB-CB 3.81Å; P270-L282 HydrophobicContact CG-CB 3.99Å; P270-L282 HydrophobicContact CG-CD1 4.33Å; P270-C283 WeakPolarHBondContact CA-O 3.38Å; P270-C283 WeakPolarHBondContact CB-O 3.39Å
271D89.8Confident79.8Confident52 Ų5255.7 Ų55.728%0.27828%0.284SS..  trans-115.23.2-179.468-14.8000112.7Y269 C283 H284 K285 P316Y269-D271 PolarHBondContact O-N 3.22Å; D271-C283 PolarHBondContact N-O 3.22Å; D271-H284 WeakPolarHBondContact OD1-CA 3.33Å; D271-K285 VanDerWaalsContact O-CE 3.23Å; D271-K285 WeakPolarHBondContact O-CE 3.26Å; D271-K285 WeakPolarHBondContact OD1-CG 3.49Å; D271-K285 PolarHBondContact OD1-N 3.4Å; D271-K285 WeakPolarHBondContact OD2-CB 3.19Å; D271-P316 WeakPolarHBondContact O-CD 3.24Å
272I90.9Very high82.1Confident0 Ų053.4 Ų53.40%027%0.272CS..EExtended strand (participates in β ladder)trans-149.2149.1173-176.9160.1000111.6F274 C283 K285 L299 I318I272-F274 HydrophobicContact CD1-CE1 3.78Å; I272-F274 HydrophobicContact CD1-CE2 4.02Å; I272-F274 HydrophobicContact CD1-CZ 3.49Å; I272-F274 VanDerWaalsContact CD1-CZ 3.49Å; I272-F274 HydrophobicContact CG1-CE1 4.43Å; I272-F274 HydrophobicContact CG1-CE2 4.23Å; I272-F274 HydrophobicContact CG1-CZ 4.16Å; I272-F274 HydrophobicContact CG2-CE2 4.2Å; I272-C283 VanDerWaalsContact CG2-C 3.49Å; I272-C283 HydrophobicContact CG2-CB 3.92Å; I272-C283 WeakPolarHBondContact CG2-O 3.25Å; I272-C283 PolarHBondContact N-O 3.49Å; I272-C283 PolarHBondContact O-N 3.07Å; I272-K285 HydrophobicContact CB-CG 3.84Å; I272-K285 HydrophobicContact CD1-CG 4.32Å; I272-K285 HydrophobicContact CG2-CG 3.81Å; I272-L299 HydrophobicContact CD1-CD1 3.91Å; I272-L299 HydrophobicContact CD1-CD2 3.27Å; I272-L299 HydrophobicContact CD1-CG 4.23Å; I272-I318 HydrophobicContact CD1-CD1 3.81Å; I272-I318 HydrophobicContact CD1-CG1 4.35Å
273C91.8Very high84.2Confident0 Ų042.4 Ų42.40%023%0.23CC..EExtended strand (participates in β ladder)trans-119.9130.6167.6-179.40000110.7F281 L282 L309 T315 P316 V317 I318C273-F281 CarbonylContact C-O 3.58Å; C273-F281 VanDerWaalsContact CA-O 3.27Å; C273-F281 WeakPolarHBondContact CA-O 3.46Å; C273-L282 HydrophobicContact CB-CD2 3.98Å; C273-L309 HydrophobicContact CB-CD1 3.38Å; C273-L309 VanDerWaalsContact SG-CD1 3.52Å; C273-T315 HydrophobicContact CB-CG2 4.42Å; C273-P316 PolarHBondContact N-O 3.41Å; C273-V317 HydrophobicContact CB-CB 4.48Å; C273-V317 HydrophobicContact CB-CG2 4.06Å; C273-V317 CarbonylContact O-C 3.46Å; C273-V317 WeakPolarHBondContact O-CA 3.15Å; C273-I318 PolarHBondContact O-N 3.05Å
274F92.5Very high86.1Confident0 Ų040.1 Ų40.10%022%0.216CC..EExtended strand (participates in β ladder)trans-100.8123.6168.4-66.1-71000109.7I272 F281 C283 F288 F295 I318 L320 F328I272-F274 HydrophobicContact CD1-CE1 3.78Å; I272-F274 HydrophobicContact CD1-CE2 4.02Å; I272-F274 HydrophobicContact CD1-CZ 3.49Å; I272-F274 VanDerWaalsContact CD1-CZ 3.49Å; I272-F274 HydrophobicContact CG1-CE1 4.43Å; I272-F274 HydrophobicContact CG1-CE2 4.23Å; I272-F274 HydrophobicContact CG1-CZ 4.16Å; I272-F274 HydrophobicContact CG2-CE2 4.2Å; F274-F281 HydrophobicContact CB-CB 4.4Å; F274-F281 PolarHBondContact N-O 3.5Å; F274-F281 PolarHBondContact O-N 2.88Å; F274-C283 HydrophobicContact CD2-CB 4.02Å; F274-C283 HydrophobicContact CE2-CB 4.11Å; F274-F288 HydrophobicContact CD2-CD1 4.43Å; F274-F288 HydrophobicContact CD2-CE1 4.03Å; F274-F288 HydrophobicContact CD2-CZ 4.13Å; F274-F288 AromaticContact CE2-CD1 3.51Å; F274-F288 HydrophobicContact CE2-CD1 3.51Å; F274-F288 HydrophobicContact CE2-CD2 4.08Å; F274-F288 AromaticContact CE2-CE1 3.54Å; F274-F288 HydrophobicContact CE2-CE1 3.54Å; F274-F288 HydrophobicContact CE2-CE2 4.11Å; F274-F288 AromaticContact CE2-CG 3.8Å; F274-F288 HydrophobicContact CE2-CG 3.8Å; F274-F288 AromaticContact CE2-CZ 3.85Å; F274-F288 HydrophobicContact CE2-CZ 3.85Å; F274-F288 AromaticContact CZ-CD1 3.8Å; F274-F288 HydrophobicContact CZ-CD1 3.8Å; F274-F288 HydrophobicContact CZ-CE1 4.17Å; F274-F288 HydrophobicContact CZ-CG 4.18Å; F274-F295 HydrophobicContact CD1-CE1 4.49Å; F274-F295 AromaticContact CE1-CD1 4Å; F274-F295 HydrophobicContact CE1-CD1 4Å; F274-F295 AromaticContact CE1-CE1 3.78Å; F274-F295 HydrophobicContact CE1-CE1 3.78Å; F274-F295 AromaticContact CZ-CD1 3.85Å; F274-F295 HydrophobicContact CZ-CD1 3.85Å; F274-F295 AromaticContact CZ-CE1 3.87Å; F274-F295 HydrophobicContact CZ-CE1 3.87Å; F274-I318 CarbonylContact C-O 3.54Å; F274-I318 WeakPolarHBondContact CA-O 3.45Å; F274-I318 HydrophobicContact CD1-CB 4.04Å; F274-I318 HydrophobicContact CD1-CG2 4.36Å; F274-I318 HydrophobicContact CE1-CB 4.25Å; F274-I318 HydrophobicContact CE1-CD1 4.43Å; F274-I318 HydrophobicContact CE1-CG2 4.44Å; F274-L320 HydrophobicContact CB-CD1 4.19Å; F274-L320 HydrophobicContact CD1-CD1 3.85Å; F274-L320 HydrophobicContact CD1-CD2 4.2Å; F274-L320 HydrophobicContact CD1-CG 4.05Å; F274-L320 HydrophobicContact CG-CD1 4.2Å; F274-F328 HydrophobicContact CB-CE1 4.06Å; F274-F328 HydrophobicContact CB-CE2 4.39Å; F274-F328 HydrophobicContact CB-CZ 3.64Å; F274-F328 AromaticContact CD2-CZ 3.75Å; F274-F328 HydrophobicContact CD2-CZ 3.75Å; F274-F328 HydrophobicContact CG-CE2 4.45Å; F274-F328 AromaticContact CG-CZ 3.81Å; F274-F328 HydrophobicContact CG-CZ 3.81Å
275R91.6Very high87.8Confident66 Ų6637.5 Ų37.525%0.24920%0.199CC..EExtended strand (participates in β ladder)trans-97.6117.9175.2178.9168.8-70.9159.61.7109.7F279 D280 V317 I318 T319 L320R275-F279 CarbonylContact C-O 3.48Å; R275-F279 VanDerWaalsContact CA-O 3.3Å; R275-F279 WeakPolarHBondContact CA-O 3.31Å; R275-D280 IonicContact CZ-OD1 2.71Å; R275-D280 IonicContact CZ-OD2 3.62Å; R275-D280 IonicContact NE-OD1 3.65Å; R275-D280 PolarHBondContact NE-OD1 3.42Å; R275-D280 IonicContact NE-OD2 3.03Å; R275-D280 IonicContact NH2-OD1 2.63Å; R275-D280 PolarHBondContact NH2-OD1 3.08Å; R275-D280 VanDerWaalsContact NH2-OD1 3.09Å; R275-D280 IonicContact NH2-OD2 3.94Å; R275-D280 PolarHBondContact NH2-OD2 2.98Å; R275-V317 HydrophobicContact CB-CG1 3.92Å; R275-I318 PolarHBondContact N-O 3.26Å; R275-T319 HydrophobicContact CG-CG2 4.47Å; R275-T319 WeakPolarHBondContact O-CA 3.37Å; R275-L320 PolarHBondContact O-N 3.15Å
276V92.6Very high89.2Confident0 Ų031.9 Ų31.90%017%0.17CC..EExtended strand (participates in β ladder)trans-131.6121.8-178.2-1710000108.8G278 F279 F281 L320 I323 F328V276-G278 PolarHBondContact O-N 3.43Å; V276-F279 PolarHBondContact N-O 3.18Å; V276-F279 WeakPolarHBondContact O-CB 3.4Å; V276-F279 PolarHBondContact O-N 2.73Å; V276-F281 HydrophobicContact CB-CD2 4.35Å; V276-F281 HydrophobicContact CB-CE2 3.95Å; V276-F281 HydrophobicContact CG2-CD2 4.19Å; V276-F281 HydrophobicContact CG2-CE2 4.21Å; V276-L320 HydrophobicContact CG2-CB 4.17Å; V276-L320 HydrophobicContact CG2-CD1 4.11Å; V276-L320 HydrophobicContact CG2-CG 4.46Å; V276-I323 HydrophobicContact CG1-CG2 4.36Å; V276-I323 VanDerWaalsContact CG1-O 3.23Å; V276-I323 WeakPolarHBondContact CG1-O 3.17Å; V276-F328 HydrophobicContact CG1-CB 4.25Å; V276-F328 HydrophobicContact CG2-CB 4.22Å; V276-F328 HydrophobicContact CG2-CD1 3.95Å; V276-F328 HydrophobicContact CG2-CD2 4.1Å; V276-F328 HydrophobicContact CG2-CE1 4.37Å; V276-F328 HydrophobicContact CG2-CG 3.8Å
277E90.5Very high90.2Very high116 Ų11631 Ų3154%0.54217%0.166SC..THydrogen-bonded Turntrans50.329.9-177.4-63.6-173.113800114.9F279 S324 H325E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 HydrophobicContact CB-CD2 4.45Å; E277-S324 WeakPolarHBondContact OE2-CA 3.33Å; E277-H325 IonicContact OE2-CE1 3.97Å; E277-H325 IonicContact OE2-CG 3.67Å; E277-H325 PolarHBondContact OE2-N 3.42Å; E277-H325 IonicContact OE2-ND1 2.73Å; E277-H325 PolarHBondContact OE2-ND1 3.5Å
278G85.9Confident90.9Very high64 Ų6429.4 Ų29.466%0.6616%0.156SC*.THydrogen-bonded Turntrans85.5-0.9-178.300000115.1V276V276-G278 PolarHBondContact O-N 3.43Å
279F91Very high91.3Very high53 Ų5328.6 Ų28.623%0.23215%0.151CC..EExtended strand (participates in β ladder)trans-92.1139.2171.1-64.1-78.3000111.5P248 E250 L251 R275 V276 E277 F281 H325P248-F279 HydrophobicContact CB-CB 4.43Å; P248-F279 HydrophobicContact CB-CD1 4.32Å; P248-F279 HydrophobicContact CG-CB 3.85Å; P248-F279 HydrophobicContact CG-CD1 4.48Å; E250-F279 HydrophobicContact CB-CD1 4.39Å; E250-F279 HydrophobicContact CB-CE1 3.97Å; L251-F279 HydrophobicContact CD1-CB 4.37Å; L251-F279 HydrophobicContact CD1-CD1 3.94Å; L251-F279 HydrophobicContact CD1-CD2 4.28Å; L251-F279 HydrophobicContact CD1-CE1 4.28Å; L251-F279 HydrophobicContact CD1-CG 3.94Å; L251-F279 HydrophobicContact CD2-CD1 4.19Å; L251-F279 HydrophobicContact CD2-CE1 3.68Å; L251-F279 HydrophobicContact CD2-CE2 4.28Å; L251-F279 HydrophobicContact CD2-CZ 3.73Å; L251-F279 HydrophobicContact CG-CD1 3.87Å; L251-F279 HydrophobicContact CG-CE1 3.85Å; L251-F279 HydrophobicContact CG-CG 4.38Å; L251-F279 HydrophobicContact CG-CZ 4.33Å; R275-F279 CarbonylContact C-O 3.48Å; R275-F279 VanDerWaalsContact CA-O 3.3Å; R275-F279 WeakPolarHBondContact CA-O 3.31Å; V276-F279 PolarHBondContact N-O 3.18Å; V276-F279 WeakPolarHBondContact O-CB 3.4Å; V276-F279 PolarHBondContact O-N 2.73Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 HydrophobicContact CB-CD2 4.45Å; F279-F281 HydrophobicContact CB-CD2 4.44Å; F279-F281 HydrophobicContact CB-CE2 3.78Å; F279-F281 HydrophobicContact CB-CZ 4.41Å; F279-H325 HydrophobicContact CD2-CB 3.93Å; F279-H325 AromaticContact CD2-CG 3.94Å; F279-H325 HydrophobicContact CE2-CB 4.47Å; F279-H325 AromaticContact CE2-CG 3.98Å; F279-H325 AromaticContact CE2-ND1 3.96Å
280D90.5Very high91.3Very high46 Ų4627.2 Ų27.225%0.24616%0.157CC..EExtended strand (participates in β ladder)trans-104.6109.2-177.2-74.7-15.8000110.8P248 R275P248-D280 WeakPolarHBondContact CG-O 3.3Å; R275-D280 IonicContact CZ-OD1 2.71Å; R275-D280 IonicContact CZ-OD2 3.62Å; R275-D280 IonicContact NE-OD1 3.65Å; R275-D280 PolarHBondContact NE-OD1 3.42Å; R275-D280 IonicContact NE-OD2 3.03Å; R275-D280 IonicContact NH2-OD1 2.63Å; R275-D280 PolarHBondContact NH2-OD1 3.08Å; R275-D280 VanDerWaalsContact NH2-OD1 3.09Å; R275-D280 IonicContact NH2-OD2 3.94Å; R275-D280 PolarHBondContact NH2-OD2 2.98Å
281F92.4Very high91.3Very high0 Ų027.7 Ų27.70%016%0.156CC..EExtended strand (participates in β ladder)trans-96.4115.7178.8-64.9-100.4000110.4A246 L247 P248 L251 C273 F274 V276 F279 H325 F328 I329 M332A246-F281 WeakPolarHBondContact O-CA 3.36Å; L247-F281 HydrophobicContact CD2-CE1 4.13Å; P248-F281 VanDerWaalsContact CD-CD1 3.46Å; P248-F281 VanDerWaalsContact CD-CE1 3.44Å; P248-F281 HydrophobicContact CG-CD1 4.04Å; P248-F281 HydrophobicContact CG-CD2 4.14Å; P248-F281 HydrophobicContact CG-CE1 3.95Å; P248-F281 HydrophobicContact CG-CE2 4.04Å; P248-F281 HydrophobicContact CG-CG 4.13Å; P248-F281 HydrophobicContact CG-CZ 3.95Å; L251-F281 HydrophobicContact CD1-CZ 3.98Å; C273-F281 CarbonylContact C-O 3.58Å; C273-F281 VanDerWaalsContact CA-O 3.27Å; C273-F281 WeakPolarHBondContact CA-O 3.46Å; F274-F281 HydrophobicContact CB-CB 4.4Å; F274-F281 PolarHBondContact N-O 3.5Å; F274-F281 PolarHBondContact O-N 2.88Å; V276-F281 HydrophobicContact CB-CD2 4.35Å; V276-F281 HydrophobicContact CB-CE2 3.95Å; V276-F281 HydrophobicContact CG2-CD2 4.19Å; V276-F281 HydrophobicContact CG2-CE2 4.21Å; F279-F281 HydrophobicContact CB-CD2 4.44Å; F279-F281 HydrophobicContact CB-CE2 3.78Å; F279-F281 HydrophobicContact CB-CZ 4.41Å; F281-H325 HydrophobicContact CE2-CB 4.37Å; F281-H325 HydrophobicContact CZ-CB 4.11Å; F281-F328 HydrophobicContact CB-CD1 4.39Å; F281-F328 HydrophobicContact CB-CE1 3.71Å; F281-F328 AromaticContact CD1-CD1 3.74Å; F281-F328 HydrophobicContact CD1-CD1 3.74Å; F281-F328 AromaticContact CD1-CE1 3.81Å; F281-F328 HydrophobicContact CD1-CE1 3.81Å; F281-F328 AromaticContact CD2-CD1 3.78Å; F281-F328 HydrophobicContact CD2-CD1 3.78Å; F281-F328 AromaticContact CD2-CE1 3.91Å; F281-F328 HydrophobicContact CD2-CE1 3.91Å; F281-F328 AromaticContact CE1-CD1 3.86Å; F281-F328 HydrophobicContact CE1-CD1 3.86Å; F281-F328 HydrophobicContact CE1-CE1 4.4Å; F281-F328 AromaticContact CE2-CD1 3.91Å; F281-F328 HydrophobicContact CE2-CD1 3.91Å; F281-F328 HydrophobicContact CE2-CE1 4.49Å; F281-F328 AromaticContact CG-CD1 3.7Å; F281-F328 HydrophobicContact CG-CD1 3.7Å; F281-F328 AromaticContact CG-CE1 3.53Å; F281-F328 HydrophobicContact CG-CE1 3.53Å; F281-F328 AromaticContact CZ-CD1 3.95Å; F281-F328 HydrophobicContact CZ-CD1 3.95Å; F281-I329 HydrophobicContact CE1-CG1 3.9Å; F281-I329 HydrophobicContact CZ-CG1 4.27Å; F281-M332 HydrophobicContact CD1-SD 4Å
282L91.4Very high91.5Very high51 Ų5125.2 Ų25.227%0.26714%0.143SC..EExtended strand (participates in β ladder)trans-90.3109.5-177.7-65.4177.8000110.5A246 P270 C273 L309A246-L282 WeakPolarHBondContact CA-O 3.49Å; A246-L282 WeakPolarHBondContact CB-O 3.36Å; A246-L282 PolarHBondContact O-N 3.3Å; P270-L282 HydrophobicContact CB-CB 3.81Å; P270-L282 HydrophobicContact CG-CB 3.99Å; P270-L282 HydrophobicContact CG-CD1 4.33Å; C273-L282 HydrophobicContact CB-CD2 3.98Å; L282-L309 HydrophobicContact CD2-CD1 3.93Å
283C92.9Very high91.3Very high0 Ų030.6 Ų30.60%017%0.172CC..EExtended strand (participates in β ladder)trans-126179.8-167.6-74.80000112.9P270 D271 I272 F274 F288 Y336P270-C283 WeakPolarHBondContact CA-O 3.38Å; P270-C283 WeakPolarHBondContact CB-O 3.39Å; D271-C283 PolarHBondContact N-O 3.22Å; I272-C283 VanDerWaalsContact CG2-C 3.49Å; I272-C283 HydrophobicContact CG2-CB 3.92Å; I272-C283 WeakPolarHBondContact CG2-O 3.25Å; I272-C283 PolarHBondContact N-O 3.49Å; I272-C283 PolarHBondContact O-N 3.07Å; F274-C283 HydrophobicContact CD2-CB 4.02Å; F274-C283 HydrophobicContact CE2-CB 4.11Å; C283-F288 HydrophobicContact CB-CD2 4.13Å; C283-F288 HydrophobicContact CB-CE2 3.6Å; C283-F288 HydrophobicContact CB-CZ 4.24Å; C283-Y336 WeakPolarHBondContact CA-OH 3.42Å
284H93Very high91.3Very high6 Ų634 Ų343%0.02819%0.185CC..  trans-118.3121.5-179-5090.6000110.9C131 T268 D271 A286 F287 F288 Y336C131-H284 WeakPolarHBondContact CB-NE2 3.17Å; T268-H284 PolarHBondContact O-NE2 2.77Å; D271-H284 WeakPolarHBondContact OD1-CA 3.33Å; H284-A286 PolarHBondContact O-N 3.17Å; H284-F287 HydrophobicContact CB-CD2 3.94Å; H284-F287 PolarHBondContact O-N 3.46Å; H284-F287 VanDerWaalsContact O-N 3.12Å; H284-F288 PolarHBondContact O-N 2.8Å; H284-Y336 PolarHBondContact N-OH 3.37Å; H284-Y336 AromaticContact ND1-CE1 3.46Å; H284-Y336 WeakPolarHBondContact ND1-CE1 3.45Å; H284-Y336 AromaticContact ND1-CZ 3.5Å; H284-Y336 PolarHBondContact ND1-OH 3.15Å
285K92.1Very high91.3Very high54 Ų5434 Ų3424%0.23519%0.185CC..Hα-helixtrans-57.2-39.4178.3-66.8178.2178.9175.30111.9D271 I272 F287 F288 C289 L299D271-K285 VanDerWaalsContact O-CE 3.23Å; D271-K285 WeakPolarHBondContact O-CE 3.26Å; D271-K285 WeakPolarHBondContact OD1-CG 3.49Å; D271-K285 PolarHBondContact OD1-N 3.4Å; D271-K285 WeakPolarHBondContact OD2-CB 3.19Å; I272-K285 HydrophobicContact CB-CG 3.84Å; I272-K285 HydrophobicContact CD1-CG 4.32Å; I272-K285 HydrophobicContact CG2-CG 3.81Å; K285-F287 PolarHBondContact O-N 3.39Å; K285-F288 PolarHBondContact O-N 2.79Å; K285-C289 VanDerWaalsContact O-CB 3.29Å; K285-C289 WeakPolarHBondContact O-CB 3.2Å; K285-C289 PolarHBondContact O-N 3.45Å; K285-C289 PolarHBondContact O-SG 3.45Å; K285-C289 VanDerWaalsContact O-SG 3.39Å; K285-L299 HydrophobicContact CB-CD1 4.48Å; K285-L299 HydrophobicContact CG-CD1 4.19Å
286A92.8Very high91.2Very high4 Ų433.9 Ų33.93%0.03319%0.186CC..Hα-helixtrans-47-43.7175.500000113.1L108 H114 H284 G290L108-A286 HydrophobicContact CD1-CB 3.89Å; L108-A286 HydrophobicContact CD2-CB 4.38Å; H114-A286 HydrophobicContact CB-CB 4.12Å; H284-A286 PolarHBondContact O-N 3.17Å; A286-G290 PolarHBondContact O-N 2.91Å
287F94.1Very high91Very high0 Ų036.5 Ų36.50%021%0.208CC..Hα-helixtrans-79.6-46.5-178.6-77.7-100.3000112.2F104 L105 V132 M239 L242 H284 K285 G290 R291 I335 Y336F104-F287 AromaticContact CE1-CD1 3.74Å; F104-F287 HydrophobicContact CE1-CD1 3.74Å; F104-F287 AromaticContact CE1-CE1 3.95Å; F104-F287 HydrophobicContact CE1-CE1 3.95Å; F104-F287 HydrophobicContact CE1-CG 4.5Å; F104-F287 HydrophobicContact CZ-CB 4.44Å; F104-F287 AromaticContact CZ-CD1 3.81Å; F104-F287 HydrophobicContact CZ-CD1 3.81Å; F104-F287 HydrophobicContact CZ-CE1 4.27Å; F104-F287 HydrophobicContact CZ-CG 4.12Å; L105-F287 HydrophobicContact CD2-CE1 4.12Å; L105-F287 HydrophobicContact CD2-CZ 4.3Å; V132-F287 HydrophobicContact CG2-CE2 4.03Å; V132-F287 HydrophobicContact CG2-CZ 4.01Å; M239-F287 HydrophobicContact SD-CE1 4.45Å; M239-F287 HydrophobicContact SD-CZ 4.1Å; L242-F287 HydrophobicContact CD1-CE2 4.17Å; L242-F287 HydrophobicContact CD1-CZ 3.92Å; H284-F287 HydrophobicContact CB-CD2 3.94Å; H284-F287 PolarHBondContact O-N 3.46Å; H284-F287 VanDerWaalsContact O-N 3.12Å; K285-F287 PolarHBondContact O-N 3.39Å; F287-G290 PolarHBondContact O-N 3.4Å; F287-R291 VanDerWaalsContact O-CB 3.27Å; F287-R291 WeakPolarHBondContact O-CB 3.24Å; F287-R291 VanDerWaalsContact O-CG 3.25Å; F287-R291 WeakPolarHBondContact O-CG 3.48Å; F287-R291 PolarHBondContact O-N 3.24Å; F287-R291 VanDerWaalsContact O-N 3.15Å; F287-I335 HydrophobicContact CB-CG2 3.72Å; F287-Y336 HydrophobicContact CB-CD1 4.33Å; F287-Y336 HydrophobicContact CB-CE1 3.94Å; F287-Y336 AromaticContact CD1-CD1 3.55Å; F287-Y336 HydrophobicContact CD1-CD1 3.55Å; F287-Y336 AromaticContact CD1-CE1 3.9Å; F287-Y336 HydrophobicContact CD1-CE1 3.9Å; F287-Y336 HydrophobicContact CD1-CG 4.41Å; F287-Y336 HydrophobicContact CD2-CD1 4.21Å; F287-Y336 AromaticContact CD2-CE1 3.77Å; F287-Y336 HydrophobicContact CD2-CE1 3.77Å; F287-Y336 AromaticContact CE1-CD1 3.78Å; F287-Y336 HydrophobicContact CE1-CD1 3.78Å; F287-Y336 HydrophobicContact CE1-CE1 4.32Å; F287-Y336 HydrophobicContact CE2-CD1 4.41Å; F287-Y336 HydrophobicContact CE2-CE1 4.2Å; F287-Y336 AromaticContact CG-CD1 3.78Å; F287-Y336 HydrophobicContact CG-CD1 3.78Å; F287-Y336 AromaticContact CG-CE1 3.6Å; F287-Y336 HydrophobicContact CG-CE1 3.6Å; F287-Y336 HydrophobicContact CZ-CD1 4.2Å; F287-Y336 HydrophobicContact CZ-CE1 4.45Å
288F94Very high90.9Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-66.3-46.3-178.2-81.7-105.8000112.2F274 C283 H284 K285 S292 F295 F328 M332 I335 Y336F274-F288 HydrophobicContact CD2-CD1 4.43Å; F274-F288 HydrophobicContact CD2-CE1 4.03Å; F274-F288 HydrophobicContact CD2-CZ 4.13Å; F274-F288 AromaticContact CE2-CD1 3.51Å; F274-F288 HydrophobicContact CE2-CD1 3.51Å; F274-F288 HydrophobicContact CE2-CD2 4.08Å; F274-F288 AromaticContact CE2-CE1 3.54Å; F274-F288 HydrophobicContact CE2-CE1 3.54Å; F274-F288 HydrophobicContact CE2-CE2 4.11Å; F274-F288 AromaticContact CE2-CG 3.8Å; F274-F288 HydrophobicContact CE2-CG 3.8Å; F274-F288 AromaticContact CE2-CZ 3.85Å; F274-F288 HydrophobicContact CE2-CZ 3.85Å; F274-F288 AromaticContact CZ-CD1 3.8Å; F274-F288 HydrophobicContact CZ-CD1 3.8Å; F274-F288 HydrophobicContact CZ-CE1 4.17Å; F274-F288 HydrophobicContact CZ-CG 4.18Å; C283-F288 HydrophobicContact CB-CD2 4.13Å; C283-F288 HydrophobicContact CB-CE2 3.6Å; C283-F288 HydrophobicContact CB-CZ 4.24Å; H284-F288 PolarHBondContact O-N 2.8Å; K285-F288 PolarHBondContact O-N 2.79Å; F288-S292 WeakPolarHBondContact O-CB 3.49Å; F288-S292 PolarHBondContact O-N 2.9Å; F288-S292 VanDerWaalsContact O-N 3.07Å; F288-F295 HydrophobicContact CB-CB 4.04Å; F288-F295 HydrophobicContact CB-CD2 4.46Å; F288-F295 HydrophobicContact CB-CG 4.21Å; F288-F295 HydrophobicContact CD1-CD1 4.01Å; F288-F295 AromaticContact CD1-CD2 3.61Å; F288-F295 HydrophobicContact CD1-CD2 3.61Å; F288-F295 HydrophobicContact CD1-CE1 4.05Å; F288-F295 AromaticContact CD1-CE2 3.66Å; F288-F295 HydrophobicContact CD1-CE2 3.66Å; F288-F295 AromaticContact CD1-CG 3.8Å; F288-F295 HydrophobicContact CD1-CG 3.8Å; F288-F295 AromaticContact CD1-CZ 3.87Å; F288-F295 HydrophobicContact CD1-CZ 3.87Å; F288-F295 HydrophobicContact CE1-CD2 4.39Å; F288-F295 HydrophobicContact CE1-CE1 4.41Å; F288-F295 AromaticContact CE1-CE2 3.98Å; F288-F295 HydrophobicContact CE1-CE2 3.98Å; F288-F295 AromaticContact CE1-CZ 3.99Å; F288-F295 HydrophobicContact CE1-CZ 3.99Å; F288-F328 HydrophobicContact CE1-CE2 4.27Å; F288-F328 HydrophobicContact CE1-CZ 4.02Å; F288-F328 HydrophobicContact CZ-CZ 4.09Å; F288-M332 HydrophobicContact CZ-CG 4.48Å; F288-I335 HydrophobicContact CD1-CD1 3.47Å; F288-I335 VanDerWaalsContact CD1-CD1 3.47Å; F288-I335 HydrophobicContact CD2-CD1 4.34Å; F288-I335 HydrophobicContact CD2-CG2 3.98Å; F288-I335 HydrophobicContact CE1-CD1 3.4Å; F288-I335 HydrophobicContact CE2-CD1 4.28Å; F288-I335 HydrophobicContact CE2-CG2 4.1Å; F288-I335 HydrophobicContact CG-CD1 3.96Å; F288-I335 HydrophobicContact CG-CG2 4.38Å; F288-I335 HydrophobicContact CZ-CD1 3.83Å; F288-Y336 HydrophobicContact CE2-CE2 4.11Å
289C91.1Very high90.8Very high3 Ų331.9 Ų31.92%0.0217%0.171CC..Hα-helixtrans-66.9-36.1177.3-64.70000112.7H114 K285 R291 K296 L299H114-C289 PolarHBondContact NE2-SG 3.44Å; K285-C289 VanDerWaalsContact O-CB 3.29Å; K285-C289 WeakPolarHBondContact O-CB 3.2Å; K285-C289 PolarHBondContact O-N 3.45Å; K285-C289 PolarHBondContact O-SG 3.45Å; K285-C289 VanDerWaalsContact O-SG 3.39Å; C289-R291 VanDerWaalsContact C-N 3.32Å; C289-K296 HydrophobicContact CB-CB 4.25Å; C289-K296 HydrophobicContact CB-CG 4.38Å; C289-L299 WeakPolarHBondContact SG-CD1 3.49Å
290G87.3Confident90.2Very high36 Ų3634.5 Ų34.537%0.37118%0.184SC..Hα-helixtrans-78.1-17.7-177.100000114.1A286 F287A286-G290 PolarHBondContact O-N 2.91Å; F287-G290 PolarHBondContact O-N 3.4Å
291R90.1Very high89.2Confident30 Ų3038 Ų3811%0.11320%0.203CC..Hα-helixtrans-111.4-14.7-175.9-64.7-77.5-73.4170.2-2.7113.9F104 F287 C289 Y334 I335 D338F104-R291 HydrophobicContact CD1-CG 3.99Å; F104-R291 HydrophobicContact CD2-CG 3.94Å; F104-R291 HydrophobicContact CE1-CG 3.99Å; F104-R291 HydrophobicContact CE2-CG 3.99Å; F104-R291 VanDerWaalsContact CG-CD 3.43Å; F104-R291 HydrophobicContact CG-CG 3.96Å; F104-R291 HydrophobicContact CZ-CG 4.01Å; F287-R291 VanDerWaalsContact O-CB 3.27Å; F287-R291 WeakPolarHBondContact O-CB 3.24Å; F287-R291 VanDerWaalsContact O-CG 3.25Å; F287-R291 WeakPolarHBondContact O-CG 3.48Å; F287-R291 PolarHBondContact O-N 3.24Å; F287-R291 VanDerWaalsContact O-N 3.15Å; C289-R291 VanDerWaalsContact C-N 3.32Å; R291-Y334 VanDerWaalsContact NH2-CZ 3.31Å; R291-Y334 PolarHBondContact NH2-O 2.91Å; R291-Y334 PolarHBondContact NH2-OH 2.76Å; R291-I335 HydrophobicContact CB-CG1 4.46Å; R291-I335 HydrophobicContact CB-CG2 4.5Å; R291-D338 IonicContact CZ-OD1 2.91Å; R291-D338 IonicContact NH1-OD1 2.79Å; R291-D338 IonicContact NH2-OD1 3.63Å; R291-D338 PolarHBondContact NH2-OD1 2.89Å
292S93Very high87.3Confident1 Ų146.1 Ų46.11%0.00724%0.241CC..  trans-140.9120.2-178.5169.70000111.1F288 Y294 F295 K296 Y358F288-S292 WeakPolarHBondContact O-CB 3.49Å; F288-S292 PolarHBondContact O-N 2.9Å; F288-S292 VanDerWaalsContact O-N 3.07Å; S292-Y294 PolarHBondContact O-N 3.29Å; S292-Y294 PolarHBondContact OG-N 3.14Å; S292-F295 PolarHBondContact O-N 3.45Å; S292-F295 WeakPolarHBondContact OG-CD2 3.32Å; S292-F295 PolarHBondContact OG-N 2.9Å; S292-F295 VanDerWaalsContact OG-N 3.14Å; S292-K296 WeakPolarHBondContact O-CB 3.23Å; S292-K296 PolarHBondContact O-N 3.11Å; S292-Y358 PolarHBondContact OG-O 3.02Å
293D87.3Confident85.5Confident112 Ų11250.8 Ų50.860%0.59926%0.259SS*.Hα-helixtrans-65.1-28.6173.3-70.2-36.8000111.9A297 L359D293-A297 WeakPolarHBondContact O-CB 3.22Å; D293-A297 PolarHBondContact O-N 2.72Å; D293-L359 HydrophobicContact CB-CD1 4.03Å
294Y92.1Very high83.3Confident73 Ų7356.2 Ų56.229%0.28630%0.297SS..Hα-helixtrans-63-52.3173.3170.7-93.3000110.9S292 K296 A297 L298 Y358S292-Y294 PolarHBondContact O-N 3.29Å; S292-Y294 PolarHBondContact OG-N 3.14Å; Y294-K296 VanDerWaalsContact C-N 3.31Å; Y294-K296 PolarHBondContact O-N 2.9Å; Y294-A297 PolarHBondContact O-N 3.43Å; Y294-L298 HydrophobicContact CE1-CD2 3.99Å; Y294-L298 VanDerWaalsContact O-CB 3.3Å; Y294-L298 WeakPolarHBondContact O-CB 3.25Å; Y294-L298 PolarHBondContact O-N 2.88Å; Y294-Y358 WeakPolarHBondContact CB-O 3.34Å; Y294-Y358 AromaticContact CD1-CD1 3.5Å; Y294-Y358 HydrophobicContact CD1-CD1 3.5Å; Y294-Y358 AromaticContact CD1-CE1 3.82Å; Y294-Y358 HydrophobicContact CD1-CE1 3.82Å; Y294-Y358 AromaticContact CD1-CG 3.96Å; Y294-Y358 HydrophobicContact CD1-CG 3.96Å; Y294-Y358 HydrophobicContact CD2-CD1 4.37Å; Y294-Y358 AromaticContact CE1-CD1 3.46Å; Y294-Y358 HydrophobicContact CE1-CD1 3.46Å; Y294-Y358 VanDerWaalsContact CE1-CD1 3.46Å; Y294-Y358 AromaticContact CE1-CE1 3.25Å; Y294-Y358 HydrophobicContact CE1-CE1 3.25Å; Y294-Y358 HydrophobicContact CE1-CG 4.22Å; Y294-Y358 AromaticContact CE1-CZ 3.87Å; Y294-Y358 HydrophobicContact CE2-CD1 4.33Å; Y294-Y358 HydrophobicContact CE2-CE1 4.31Å; Y294-Y358 AromaticContact CG-CD1 3.98Å; Y294-Y358 HydrophobicContact CG-CD1 3.98Å; Y294-Y358 AromaticContact CZ-CD1 3.9Å; Y294-Y358 AromaticContact CZ-CE1 3.54Å
295F91.8Very high81.1Confident0 Ų063.4 Ų63.40%033%0.331CS..Hα-helixtrans-68.2-34.4179.5-75-65.9000112F274 F288 S292 L298 L299 L320 F328 I331 I335 Y358F274-F295 HydrophobicContact CD1-CE1 4.49Å; F274-F295 AromaticContact CE1-CD1 4Å; F274-F295 HydrophobicContact CE1-CD1 4Å; F274-F295 AromaticContact CE1-CE1 3.78Å; F274-F295 HydrophobicContact CE1-CE1 3.78Å; F274-F295 AromaticContact CZ-CD1 3.85Å; F274-F295 HydrophobicContact CZ-CD1 3.85Å; F274-F295 AromaticContact CZ-CE1 3.87Å; F274-F295 HydrophobicContact CZ-CE1 3.87Å; F288-F295 HydrophobicContact CB-CB 4.04Å; F288-F295 HydrophobicContact CB-CD2 4.46Å; F288-F295 HydrophobicContact CB-CG 4.21Å; F288-F295 HydrophobicContact CD1-CD1 4.01Å; F288-F295 AromaticContact CD1-CD2 3.61Å; F288-F295 HydrophobicContact CD1-CD2 3.61Å; F288-F295 HydrophobicContact CD1-CE1 4.05Å; F288-F295 AromaticContact CD1-CE2 3.66Å; F288-F295 HydrophobicContact CD1-CE2 3.66Å; F288-F295 AromaticContact CD1-CG 3.8Å; F288-F295 HydrophobicContact CD1-CG 3.8Å; F288-F295 AromaticContact CD1-CZ 3.87Å; F288-F295 HydrophobicContact CD1-CZ 3.87Å; F288-F295 HydrophobicContact CE1-CD2 4.39Å; F288-F295 HydrophobicContact CE1-CE1 4.41Å; F288-F295 AromaticContact CE1-CE2 3.98Å; F288-F295 HydrophobicContact CE1-CE2 3.98Å; F288-F295 AromaticContact CE1-CZ 3.99Å; F288-F295 HydrophobicContact CE1-CZ 3.99Å; S292-F295 PolarHBondContact O-N 3.45Å; S292-F295 WeakPolarHBondContact OG-CD2 3.32Å; S292-F295 PolarHBondContact OG-N 2.9Å; S292-F295 VanDerWaalsContact OG-N 3.14Å; F295-L298 HydrophobicContact CD1-CD2 3.92Å; F295-L298 HydrophobicContact CE1-CD2 4.25Å; F295-L298 PolarHBondContact O-N 2.86Å; F295-L299 VanDerWaalsContact O-CB 3.26Å; F295-L299 WeakPolarHBondContact O-CB 3.31Å; F295-L299 WeakPolarHBondContact O-CG 3.23Å; F295-L299 PolarHBondContact O-N 3.48Å; F295-L320 HydrophobicContact CE1-CD1 4.33Å; F295-L320 HydrophobicContact CE1-CD2 4.46Å; F295-L320 HydrophobicContact CZ-CD1 4.49Å; F295-F328 HydrophobicContact CZ-CE2 4.45Å; F295-I331 HydrophobicContact CE2-CG2 4.48Å; F295-I335 HydrophobicContact CD2-CD1 4.43Å; F295-I335 HydrophobicContact CE2-CD1 4.23Å; F295-Y358 HydrophobicContact CE1-CE2 4.3Å; F295-Y358 AromaticContact CE2-CD2 3.58Å; F295-Y358 HydrophobicContact CE2-CD2 3.58Å; F295-Y358 HydrophobicContact CE2-CE2 4.01Å; F295-Y358 HydrophobicContact CE2-CG 4.12Å; F295-Y358 AromaticContact CZ-CD2 3.52Å; F295-Y358 HydrophobicContact CZ-CD2 3.52Å; F295-Y358 AromaticContact CZ-CE2 3.42Å; F295-Y358 HydrophobicContact CZ-CE2 3.42Å; F295-Y358 VanDerWaalsContact CZ-CE2 3.42Å; F295-Y358 HydrophobicContact CZ-CG 4.25Å
296K89.9Confident79.3Confident62 Ų6262.4 Ų62.427%0.2734%0.335SS..Hα-helixtrans-58-51.4171.9-172.9177.3177.4-178.30111.2C289 S292 Y294 L298 L299 E300C289-K296 HydrophobicContact CB-CB 4.25Å; C289-K296 HydrophobicContact CB-CG 4.38Å; S292-K296 WeakPolarHBondContact O-CB 3.23Å; S292-K296 PolarHBondContact O-N 3.11Å; Y294-K296 VanDerWaalsContact C-N 3.31Å; Y294-K296 PolarHBondContact O-N 2.9Å; K296-L298 PolarHBondContact O-N 2.93Å; K296-L299 PolarHBondContact O-N 3.25Å; K296-E300 WeakPolarHBondContact CE-OE1 3.45Å; K296-E300 HydrophobicContact CG-CG 4.24Å; K296-E300 WeakPolarHBondContact CG-OE1 3.37Å; K296-E300 VanDerWaalsContact O-CB 3.28Å; K296-E300 WeakPolarHBondContact O-CB 3.43Å; K296-E300 VanDerWaalsContact O-CG 3.29Å; K296-E300 WeakPolarHBondContact O-CG 3.17Å; K296-E300 PolarHBondContact O-N 2.77Å
297A88.7Confident77.6Confident55 Ų5568.4 Ų68.446%0.45536%0.363SS..Hα-helixtrans-61.2-44.8176.100000111.7D293 Y294 L299 E300 D301D293-A297 WeakPolarHBondContact O-CB 3.22Å; D293-A297 PolarHBondContact O-N 2.72Å; Y294-A297 PolarHBondContact O-N 3.43Å; A297-L299 PolarHBondContact O-N 2.82Å; A297-E300 PolarHBondContact O-N 3.49Å; A297-D301 VanDerWaalsContact O-CB 3.26Å; A297-D301 WeakPolarHBondContact O-CB 3.47Å; A297-D301 PolarHBondContact O-N 2.8Å
298L87.1Confident75.9Confident42 Ų4274.9 Ų74.922%0.2239%0.393CS..Hα-helixtrans-58.2-33.3178.7-175.467.9000112.9Y294 F295 K296 I318 L320Y294-L298 HydrophobicContact CE1-CD2 3.99Å; Y294-L298 VanDerWaalsContact O-CB 3.3Å; Y294-L298 WeakPolarHBondContact O-CB 3.25Å; Y294-L298 PolarHBondContact O-N 2.88Å; F295-L298 HydrophobicContact CD1-CD2 3.92Å; F295-L298 HydrophobicContact CE1-CD2 4.25Å; F295-L298 PolarHBondContact O-N 2.86Å; K296-L298 PolarHBondContact O-N 2.93Å; L298-I318 HydrophobicContact CD2-CG2 4.23Å; L298-L320 HydrophobicContact CD2-CD2 4.29Å
299L84.3Confident74.2Confident41 Ų4175.5 Ų75.522%0.21540%0.396CS..Hα-helixtrans-98.4-24.9-174.2-65175.3000114.3I272 K285 C289 F295 K296 A297 I318I272-L299 HydrophobicContact CD1-CD1 3.91Å; I272-L299 HydrophobicContact CD1-CD2 3.27Å; I272-L299 HydrophobicContact CD1-CG 4.23Å; K285-L299 HydrophobicContact CB-CD1 4.48Å; K285-L299 HydrophobicContact CG-CD1 4.19Å; C289-L299 WeakPolarHBondContact SG-CD1 3.49Å; F295-L299 VanDerWaalsContact O-CB 3.26Å; F295-L299 WeakPolarHBondContact O-CB 3.31Å; F295-L299 WeakPolarHBondContact O-CG 3.23Å; F295-L299 PolarHBondContact O-N 3.48Å; K296-L299 PolarHBondContact O-N 3.25Å; A297-L299 PolarHBondContact O-N 2.82Å; L299-I318 HydrophobicContact CD2-CD1 3.27Å
300E79.2Confident72.4Confident108 Ų10884.8 Ų84.851%0.50544%0.439SS..Hα-helixtrans-83.8-36.5175.6-72.2179.6171.200112.1K296 A297K296-E300 WeakPolarHBondContact CE-OE1 3.45Å; K296-E300 HydrophobicContact CG-CG 4.24Å; K296-E300 WeakPolarHBondContact CG-OE1 3.37Å; K296-E300 VanDerWaalsContact O-CB 3.28Å; K296-E300 WeakPolarHBondContact O-CB 3.43Å; K296-E300 VanDerWaalsContact O-CG 3.29Å; K296-E300 WeakPolarHBondContact O-CG 3.17Å; K296-E300 PolarHBondContact O-N 2.77Å; A297-E300 PolarHBondContact O-N 3.49Å
301D69.2Low71Confident120 Ų12087.6 Ų87.664%0.64245%0.453SS*.SBendtrans-72.4132.4175.6-140.2-0.1000108.8A297 F303A297-D301 VanDerWaalsContact O-CB 3.26Å; A297-D301 WeakPolarHBondContact O-CB 3.47Å; A297-D301 PolarHBondContact O-N 2.8Å; D301-F303 PolarHBondContact O-N 3.24Å
302H52.9Low69.5Low171 Ų17189.7 Ų89.779%0.79246%0.464SS*.  trans-68.756.9-166-67.2-57.1000114.8S304H302-S304 VanDerWaalsContact C-N 3.28Å; H302-S304 PolarHBondContact O-N 3.39Å; H302-S304 PolarHBondContact O-OG 2.99Å
303F51.9Low67.8Low148 Ų14893.8 Ų93.865%0.64949%0.491SS*.  trans-71.287170.5-111.2-94.1000109.6D301 E305D301-F303 PolarHBondContact O-N 3.24Å; F303-E305 HydrophobicContact CD1-CB 4.17Å; F303-E305 HydrophobicContact CD1-CG 4.38Å; F303-E305 WeakPolarHBondContact CE1-OE2 3.36Å; F303-E305 PolarHBondContact O-N 3.26Å; F303-E305 VanDerWaalsContact O-N 3.09Å
304S47.3Very low66.8Low115 Ų11593.6 Ų93.680%0.80450%0.498SS*.  trans-76.922.9176.9-52.50000112.6H302 G306H302-S304 VanDerWaalsContact C-N 3.28Å; H302-S304 PolarHBondContact O-N 3.39Å; H302-S304 PolarHBondContact O-OG 2.99Å; S304-G306 VanDerWaalsContact C-N 3.33Å
305E48Very low66Low157 Ų15790.3 Ų90.373%0.73449%0.486SS*.  trans-94.316179.3-77.1-169.715600113.2F303 Q307F303-E305 HydrophobicContact CD1-CB 4.17Å; F303-E305 HydrophobicContact CD1-CG 4.38Å; F303-E305 WeakPolarHBondContact CE1-OE2 3.36Å; F303-E305 PolarHBondContact O-N 3.26Å; F303-E305 VanDerWaalsContact O-N 3.09Å; E305-Q307 PolarHBondContact O-N 3.48Å
306G52.5Low65.6Low32 Ų3292.4 Ų92.433%0.3350%0.499SS..  trans-69.8103.3175.400000111.4S304 Q308 V317S304-G306 VanDerWaalsContact C-N 3.33Å; G306-Q308 PolarHBondContact O-N 2.86Å; G306-V317 VanDerWaalsContact CA-O 3.28Å; G306-V317 WeakPolarHBondContact CA-O 3.31Å
307Q57.2Low65.5Low131 Ų13189.7 Ų89.761%0.61249%0.488SS*.EExtended strand (participates in β ladder)trans-56135.7161.3-76.4179.6-2.800108.3E305 V317E305-Q307 PolarHBondContact O-N 3.48Å; Q307-V317 WeakPolarHBondContact O-CB 3.48Å; Q307-V317 WeakPolarHBondContact O-CG2 3.34Å; Q307-V317 PolarHBondContact O-N 3.27Å
308Q58.9Low65.5Low135 Ų13588.8 Ų88.863%0.63148%0.475SS*.EExtended strand (participates in β ladder)trans-76134.2174.3-71.9-178.6-1200109.4G306 H310G306-Q308 PolarHBondContact O-N 2.86Å; Q308-H310 PolarHBondContact O-N 2.98Å
309L57.8Low65.6Low13 Ų1389.7 Ų89.77%0.06848%0.482CS..EExtended strand (participates in β ladder)trans-62.9124.2173.4-118.7154.3000109.4C273 L282 S311 Q312 V317C273-L309 HydrophobicContact CB-CD1 3.38Å; C273-L309 VanDerWaalsContact SG-CD1 3.52Å; L282-L309 HydrophobicContact CD2-CD1 3.93Å; L309-S311 WeakPolarHBondContact CD2-OG 3.29Å; L309-S311 PolarHBondContact O-N 3.36Å; L309-S311 VanDerWaalsContact O-N 3.15Å; L309-Q312 CarbonylContact O-C 3.58Å; L309-Q312 PolarHBondContact O-N 3.4Å; L309-Q312 VanDerWaalsContact O-N 3.12Å; L309-V317 HydrophobicContact CB-CG2 3.86Å; L309-V317 HydrophobicContact CD1-CG2 3.67Å; L309-V317 HydrophobicContact CG-CG2 3.52Å
310H54.3Low65.9Low199 Ų19988.3 Ų88.392%0.92148%0.475SS*.THydrogen-bonded Turntrans-60.6-25.6-179.7-71.1-54.2000113.2Q308Q308-H310 PolarHBondContact O-N 2.98Å
311S56.5Low66.3Low95 Ų9589.7 Ų89.766%0.66448%0.481SS*.THydrogen-bonded Turntrans-87.3-24.5177.254.70000113.9L309L309-S311 WeakPolarHBondContact CD2-OG 3.29Å; L309-S311 PolarHBondContact O-N 3.36Å; L309-S311 VanDerWaalsContact O-N 3.15Å
312Q59.6Low67.2Low74 Ų7492 Ų9235%0.34649%0.494SS..EExtended strand (participates in β ladder)trans-141.191177.2-69.9-168.9-3.700110.6L309 S314 T315L309-Q312 CarbonylContact O-C 3.58Å; L309-Q312 PolarHBondContact O-N 3.4Å; L309-Q312 VanDerWaalsContact O-N 3.12Å; Q312-S314 PolarHBondContact O-N 3.12Å; Q312-T315 PolarHBondContact O-N 3.17Å; Q312-T315 VanDerWaalsContact O-N 3.13Å; Q312-T315 PolarHBondContact OE1-OG1 3.1Å
313P57.3Low69.2Low87 Ų8784.4 Ų84.457%0.56546%0.459SS*.EExtended strand (participates in β ladder)trans-66.5-10.6-171.823.9-32.8000114.6
314S65.5Low71.1Confident108 Ų10879 Ų7976%0.75544%0.439SS*.EExtended strand (participates in β ladder)trans-87.4-13.417752.70000114.6Q312Q312-S314 PolarHBondContact O-N 3.12Å
315T76.7Confident73.3Confident4 Ų475.3 Ų75.33%0.02541%0.409CS..EExtended strand (participates in β ladder)trans-101.8118.4-170.4-48.30000110.2C273 Q312C273-T315 HydrophobicContact CB-CG2 4.42Å; Q312-T315 PolarHBondContact O-N 3.17Å; Q312-T315 VanDerWaalsContact O-N 3.13Å; Q312-T315 PolarHBondContact OE1-OG1 3.1Å
316P83.8Confident75.4Confident44 Ų4473.6 Ų73.629%0.28640%0.401SS..EExtended strand (participates in β ladder)trans-69.3137.1177.528.7-33.4000110.9D271 C273D271-P316 WeakPolarHBondContact O-CD 3.24Å; C273-P316 PolarHBondContact N-O 3.41Å
317V86.9Confident77.4Confident4 Ų472.3 Ų72.32%0.02439%0.387CS..EExtended strand (participates in β ladder)trans-103.5128.9176.2-175.50000110.2C273 R275 G306 Q307 L309C273-V317 HydrophobicContact CB-CB 4.48Å; C273-V317 HydrophobicContact CB-CG2 4.06Å; C273-V317 CarbonylContact O-C 3.46Å; C273-V317 WeakPolarHBondContact O-CA 3.15Å; R275-V317 HydrophobicContact CB-CG1 3.92Å; G306-V317 VanDerWaalsContact CA-O 3.28Å; G306-V317 WeakPolarHBondContact CA-O 3.31Å; Q307-V317 WeakPolarHBondContact O-CB 3.48Å; Q307-V317 WeakPolarHBondContact O-CG2 3.34Å; Q307-V317 PolarHBondContact O-N 3.27Å; L309-V317 HydrophobicContact CB-CG2 3.86Å; L309-V317 HydrophobicContact CD1-CG2 3.67Å; L309-V317 HydrophobicContact CG-CG2 3.52Å
318I88.7Confident79.2Confident36 Ų3666.1 Ų66.119%0.18536%0.358CS..EExtended strand (participates in β ladder)trans-116.5120.7174.3-59.3-172.3000108.9I272 C273 F274 R275 L298 L299 L320I272-I318 HydrophobicContact CD1-CD1 3.81Å; I272-I318 HydrophobicContact CD1-CG1 4.35Å; C273-I318 PolarHBondContact O-N 3.05Å; F274-I318 CarbonylContact C-O 3.54Å; F274-I318 WeakPolarHBondContact CA-O 3.45Å; F274-I318 HydrophobicContact CD1-CB 4.04Å; F274-I318 HydrophobicContact CD1-CG2 4.36Å; F274-I318 HydrophobicContact CE1-CB 4.25Å; F274-I318 HydrophobicContact CE1-CD1 4.43Å; F274-I318 HydrophobicContact CE1-CG2 4.44Å; R275-I318 PolarHBondContact N-O 3.26Å; L298-I318 HydrophobicContact CD2-CG2 4.23Å; L299-I318 HydrophobicContact CD2-CD1 3.27Å; I318-L320 HydrophobicContact CG2-CD2 4.1Å
319T89.7Confident80.8Confident62 Ų6261 Ų6138%0.3833%0.334SS..EExtended strand (participates in β ladder)trans-86.3117.5176.6-52.50000109.9R275 H321R275-T319 HydrophobicContact CG-CG2 4.47Å; R275-T319 WeakPolarHBondContact O-CA 3.37Å; T319-H321 PolarHBondContact O-CE1 3.38Å; T319-H321 PolarHBondContact O-ND1 2.92Å
320L90.5Very high82.5Confident12 Ų1261.2 Ų61.26%0.06334%0.335CS..PPolyproline II helixtrans-91.4125.7172.7-53.6175000108.3F274 R275 V276 F295 L298 I318 F328 Y358F274-L320 HydrophobicContact CB-CD1 4.19Å; F274-L320 HydrophobicContact CD1-CD1 3.85Å; F274-L320 HydrophobicContact CD1-CD2 4.2Å; F274-L320 HydrophobicContact CD1-CG 4.05Å; F274-L320 HydrophobicContact CG-CD1 4.2Å; R275-L320 PolarHBondContact O-N 3.15Å; V276-L320 HydrophobicContact CG2-CB 4.17Å; V276-L320 HydrophobicContact CG2-CD1 4.11Å; V276-L320 HydrophobicContact CG2-CG 4.46Å; F295-L320 HydrophobicContact CE1-CD1 4.33Å; F295-L320 HydrophobicContact CE1-CD2 4.46Å; F295-L320 HydrophobicContact CZ-CD1 4.49Å; L298-L320 HydrophobicContact CD2-CD2 4.29Å; I318-L320 HydrophobicContact CG2-CD2 4.1Å; L320-F328 HydrophobicContact CD1-CD2 3.8Å; L320-F328 HydrophobicContact CD1-CE2 3.37Å; L320-F328 HydrophobicContact CD1-CZ 4.13Å; L320-Y358 HydrophobicContact CD1-CE2 4.48Å
321H88Confident84.4Confident137 Ų13751.7 Ų51.763%0.63429%0.291SS*.PPolyproline II helixtrans-101.4156.4-178.5-5887.1000110T319 I323T319-H321 PolarHBondContact O-CE1 3.38Å; T319-H321 PolarHBondContact O-ND1 2.92Å; H321-I323 VanDerWaalsContact C-N 3.28Å; H321-I323 PolarHBondContact O-N 3.41Å
322N88.3Confident86.2Confident168 Ų16847.2 Ų47.290%0.89826%0.26SS*.SBendtrans61.328.8176.1-53-24.8000115.1
323I93.4Very high87.8Confident11 Ų1144.8 Ų44.86%0.05625%0.248CC..  trans-134.9136.7176.6-65.4170.9000108.2V276 H321 V327 F328 V354 M357 Y358V276-I323 HydrophobicContact CG1-CG2 4.36Å; V276-I323 VanDerWaalsContact CG1-O 3.23Å; V276-I323 WeakPolarHBondContact CG1-O 3.17Å; H321-I323 VanDerWaalsContact C-N 3.28Å; H321-I323 PolarHBondContact O-N 3.41Å; I323-V327 HydrophobicContact CG2-CB 4.28Å; I323-V327 HydrophobicContact CG2-CG1 4.28Å; I323-F328 HydrophobicContact CG2-CB 4.23Å; I323-V354 HydrophobicContact CD1-CG1 3.77Å; I323-V354 HydrophobicContact CD1-CG2 4.5Å; I323-V354 HydrophobicContact CG1-CG1 4.28Å; I323-V354 HydrophobicContact CG1-CG2 4.14Å; I323-M357 HydrophobicContact CD1-CE 3.74Å; I323-M357 HydrophobicContact CG1-CE 4.22Å; I323-Y358 HydrophobicContact CD1-CE1 3.98Å; I323-Y358 HydrophobicContact CD1-CE2 3.64Å; I323-Y358 WeakPolarHBondContact CD1-OH 3.47Å
324S93.4Very high89.5Confident34 Ų3441 Ų4124%0.23822%0.222CC..  trans-78.4149.6173.368.90000111.3E277 E326 V327 F328E277-S324 WeakPolarHBondContact OE2-CA 3.33Å; S324-E326 PolarHBondContact O-N 3.03Å; S324-V327 PolarHBondContact O-N 2.9Å; S324-V327 VanDerWaalsContact OG-CG2 3.26Å; S324-V327 WeakPolarHBondContact OG-CG2 3.22Å; S324-V327 PolarHBondContact OG-N 3.22Å; S324-F328 PolarHBondContact O-N 3.45Å
325H92.6Very high90.8Very high39 Ų3935.9 Ų35.918%0.18119%0.186CC..Hα-helixtrans-59.8-33.4175.566.4-79.3000111.9L251 E277 F279 F281 F328 I329L251-H325 HydrophobicContact CD1-CB 4.38Å; E277-H325 IonicContact OE2-CE1 3.97Å; E277-H325 IonicContact OE2-CG 3.67Å; E277-H325 PolarHBondContact OE2-N 3.42Å; E277-H325 IonicContact OE2-ND1 2.73Å; E277-H325 PolarHBondContact OE2-ND1 3.5Å; F279-H325 HydrophobicContact CD2-CB 3.93Å; F279-H325 AromaticContact CD2-CG 3.94Å; F279-H325 HydrophobicContact CE2-CB 4.47Å; F279-H325 AromaticContact CE2-CG 3.98Å; F279-H325 AromaticContact CE2-ND1 3.96Å; F281-H325 HydrophobicContact CE2-CB 4.37Å; F281-H325 HydrophobicContact CZ-CB 4.11Å; H325-F328 PolarHBondContact O-N 3.32Å; H325-I329 VanDerWaalsContact O-CG1 3.23Å; H325-I329 WeakPolarHBondContact O-CG1 3.42Å; H325-I329 PolarHBondContact O-N 3.18Å
326E91.6Very high91.6Very high121 Ų12135.7 Ų35.757%0.56519%0.185SC*.Hα-helixtrans-61.2-45.7175.5-63.1-172.1166.500112.6S324 F328 I329 H330S324-E326 PolarHBondContact O-N 3.03Å; E326-F328 VanDerWaalsContact C-N 3.34Å; E326-I329 WeakPolarHBondContact O-CB 3.32Å; E326-I329 PolarHBondContact O-N 2.99Å; E326-H330 PolarHBondContact O-CD2 3.44Å; E326-H330 VanDerWaalsContact O-CD2 3.28Å; E326-H330 PolarHBondContact O-N 3.31Å
327V94.3Very high91.8Very high5 Ų534.1 Ų34.13%0.0318%0.175CC..Hα-helixtrans-66.5-39.8176.8171.80000110.8I323 S324 I329 H330 I331 D350 V351 V354I323-V327 HydrophobicContact CG2-CB 4.28Å; I323-V327 HydrophobicContact CG2-CG1 4.28Å; S324-V327 PolarHBondContact O-N 2.9Å; S324-V327 VanDerWaalsContact OG-CG2 3.26Å; S324-V327 WeakPolarHBondContact OG-CG2 3.22Å; S324-V327 PolarHBondContact OG-N 3.22Å; V327-I329 VanDerWaalsContact C-N 3.3Å; V327-I329 PolarHBondContact O-N 3.32Å; V327-H330 PolarHBondContact O-N 2.86Å; V327-I331 HydrophobicContact CG1-CD1 4.06Å; V327-I331 PolarHBondContact O-N 2.66Å; V327-D350 HydrophobicContact CG2-CB 3.68Å; V327-V351 HydrophobicContact CB-CG2 4.48Å; V327-V351 HydrophobicContact CG1-CG2 4.17Å; V327-V351 HydrophobicContact CG2-CG2 4.23Å; V327-V354 HydrophobicContact CG1-CB 3.91Å; V327-V354 HydrophobicContact CG1-CG1 4.37Å; V327-V354 HydrophobicContact CG1-CG2 3.75Å
328F94.8Very high91.8Very high0 Ų035.5 Ų35.50%018%0.182CC..Hα-helixtrans-63.9-34.7177.6-169.8-103.2000112.8F274 V276 F281 F288 F295 L320 I323 S324 H325 E326 H330 I331 M332F274-F328 HydrophobicContact CB-CE1 4.06Å; F274-F328 HydrophobicContact CB-CE2 4.39Å; F274-F328 HydrophobicContact CB-CZ 3.64Å; F274-F328 AromaticContact CD2-CZ 3.75Å; F274-F328 HydrophobicContact CD2-CZ 3.75Å; F274-F328 HydrophobicContact CG-CE2 4.45Å; F274-F328 AromaticContact CG-CZ 3.81Å; F274-F328 HydrophobicContact CG-CZ 3.81Å; V276-F328 HydrophobicContact CG1-CB 4.25Å; V276-F328 HydrophobicContact CG2-CB 4.22Å; V276-F328 HydrophobicContact CG2-CD1 3.95Å; V276-F328 HydrophobicContact CG2-CD2 4.1Å; V276-F328 HydrophobicContact CG2-CE1 4.37Å; V276-F328 HydrophobicContact CG2-CG 3.8Å; F281-F328 HydrophobicContact CB-CD1 4.39Å; F281-F328 HydrophobicContact CB-CE1 3.71Å; F281-F328 AromaticContact CD1-CD1 3.74Å; F281-F328 HydrophobicContact CD1-CD1 3.74Å; F281-F328 AromaticContact CD1-CE1 3.81Å; F281-F328 HydrophobicContact CD1-CE1 3.81Å; F281-F328 AromaticContact CD2-CD1 3.78Å; F281-F328 HydrophobicContact CD2-CD1 3.78Å; F281-F328 AromaticContact CD2-CE1 3.91Å; F281-F328 HydrophobicContact CD2-CE1 3.91Å; F281-F328 AromaticContact CE1-CD1 3.86Å; F281-F328 HydrophobicContact CE1-CD1 3.86Å; F281-F328 HydrophobicContact CE1-CE1 4.4Å; F281-F328 AromaticContact CE2-CD1 3.91Å; F281-F328 HydrophobicContact CE2-CD1 3.91Å; F281-F328 HydrophobicContact CE2-CE1 4.49Å; F281-F328 AromaticContact CG-CD1 3.7Å; F281-F328 HydrophobicContact CG-CD1 3.7Å; F281-F328 AromaticContact CG-CE1 3.53Å; F281-F328 HydrophobicContact CG-CE1 3.53Å; F281-F328 AromaticContact CZ-CD1 3.95Å; F281-F328 HydrophobicContact CZ-CD1 3.95Å; F288-F328 HydrophobicContact CE1-CE2 4.27Å; F288-F328 HydrophobicContact CE1-CZ 4.02Å; F288-F328 HydrophobicContact CZ-CZ 4.09Å; F295-F328 HydrophobicContact CZ-CE2 4.45Å; L320-F328 HydrophobicContact CD1-CD2 3.8Å; L320-F328 HydrophobicContact CD1-CE2 3.37Å; L320-F328 HydrophobicContact CD1-CZ 4.13Å; I323-F328 HydrophobicContact CG2-CB 4.23Å; S324-F328 PolarHBondContact O-N 3.45Å; H325-F328 PolarHBondContact O-N 3.32Å; E326-F328 VanDerWaalsContact C-N 3.34Å; F328-H330 PolarHBondContact O-N 3.33Å; F328-I331 PolarHBondContact O-N 2.89Å; F328-M332 WeakPolarHBondContact O-CB 3.43Å; F328-M332 PolarHBondContact O-N 3.23Å
329I92.9Very high91.6Very high27 Ų2738 Ų3814%0.13820%0.195CC..Hα-helixtrans-57.6-49173-70.9165.7000110.3L247 L251 F281 H325 E326 V327 I331 M332 Y333 V341L247-I329 HydrophobicContact CD2-CD1 4.14Å; L247-I329 HydrophobicContact CD2-CG1 3.75Å; L247-I329 HydrophobicContact CD2-CG2 4.33Å; L251-I329 HydrophobicContact CD1-CD1 4.26Å; F281-I329 HydrophobicContact CE1-CG1 3.9Å; F281-I329 HydrophobicContact CZ-CG1 4.27Å; H325-I329 VanDerWaalsContact O-CG1 3.23Å; H325-I329 WeakPolarHBondContact O-CG1 3.42Å; H325-I329 PolarHBondContact O-N 3.18Å; E326-I329 WeakPolarHBondContact O-CB 3.32Å; E326-I329 PolarHBondContact O-N 2.99Å; V327-I329 VanDerWaalsContact C-N 3.3Å; V327-I329 PolarHBondContact O-N 3.32Å; I329-I331 VanDerWaalsContact C-N 3.32Å; I329-I331 PolarHBondContact O-N 3.45Å; I329-M332 PolarHBondContact O-N 2.93Å; I329-Y333 HydrophobicContact CG2-CD2 3.68Å; I329-Y333 HydrophobicContact CG2-CE2 3.7Å; I329-Y333 VanDerWaalsContact O-CD2 3.32Å; I329-Y333 WeakPolarHBondContact O-CD2 3.38Å; I329-Y333 PolarHBondContact O-N 3.14Å; I329-V341 HydrophobicContact CG2-CG2 4.26Å
330H93.6Very high91.1Very high18 Ų1835.9 Ų35.98%0.08318%0.183CC..Hα-helixtrans-58.8-42.4177.8-72.3-76.7000112.4E326 V327 F328 Y334 T340 V341 V351E326-H330 PolarHBondContact O-CD2 3.44Å; E326-H330 VanDerWaalsContact O-CD2 3.28Å; E326-H330 PolarHBondContact O-N 3.31Å; V327-H330 PolarHBondContact O-N 2.86Å; F328-H330 PolarHBondContact O-N 3.33Å; H330-Y334 WeakPolarHBondContact O-CB 3.32Å; H330-Y334 PolarHBondContact O-N 3.43Å; H330-T340 HydrophobicContact CB-CG2 4.35Å; H330-V341 PolarHBondContact CE1-O 3.38Å; H330-V341 VanDerWaalsContact CE1-O 3.22Å; H330-V341 PolarHBondContact ND1-O 2.83Å; H330-V351 HydrophobicContact CB-CG1 4.16Å; H330-V351 HydrophobicContact CB-CG2 3.96Å
331I94.9Very high90.6Very high0 Ų037.2 Ų37.20%019%0.191CC..Hα-helixtrans-62.4-46.1177.8-67.3162.1000111.2F295 V327 F328 I329 Y334 I335 V354 Y358 L360 L363F295-I331 HydrophobicContact CE2-CG2 4.48Å; V327-I331 HydrophobicContact CG1-CD1 4.06Å; V327-I331 PolarHBondContact O-N 2.66Å; F328-I331 PolarHBondContact O-N 2.89Å; I329-I331 VanDerWaalsContact C-N 3.32Å; I329-I331 PolarHBondContact O-N 3.45Å; I331-Y334 PolarHBondContact O-N 3.3Å; I331-I335 HydrophobicContact CG2-CD1 3.79Å; I331-I335 HydrophobicContact CG2-CG1 4.49Å; I331-I335 WeakPolarHBondContact O-CG1 3.15Å; I331-I335 PolarHBondContact O-N 3.24Å; I331-V354 HydrophobicContact CD1-CB 4.02Å; I331-V354 HydrophobicContact CD1-CG1 3.26Å; I331-Y358 HydrophobicContact CD1-CD2 3.92Å; I331-Y358 HydrophobicContact CD1-CE2 4.15Å; I331-Y358 HydrophobicContact CG2-CD2 4.4Å; I331-L360 HydrophobicContact CG1-CD1 4.38Å; I331-L360 HydrophobicContact CG2-CD1 3.69Å; I331-L363 HydrophobicContact CG1-CD2 3.95Å
332M93.9Very high90.4Very high0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-61.8-49-179.8-178.5-167.174.900110.9A243 A246 L247 F281 F288 F328 I329 Y334 I335 Y336A243-M332 HydrophobicContact CB-CE 4.19Å; A243-M332 WeakPolarHBondContact O-CE 3.38Å; A246-M332 HydrophobicContact CB-CE 4.41Å; A246-M332 HydrophobicContact CB-CG 4.41Å; A246-M332 HydrophobicContact CB-SD 3.48Å; A246-M332 WeakPolarHBondContact CB-SD 3.3Å; L247-M332 HydrophobicContact CD2-CE 3.64Å; L247-M332 HydrophobicContact CG-CE 3.79Å; F281-M332 HydrophobicContact CD1-SD 4Å; F288-M332 HydrophobicContact CZ-CG 4.48Å; F328-M332 WeakPolarHBondContact O-CB 3.43Å; F328-M332 PolarHBondContact O-N 3.23Å; I329-M332 PolarHBondContact O-N 2.93Å; M332-Y334 VanDerWaalsContact C-N 3.32Å; M332-Y334 PolarHBondContact O-N 3.07Å; M332-I335 PolarHBondContact O-N 3.16Å; M332-Y336 HydrophobicContact CG-CD2 3.96Å; M332-Y336 HydrophobicContact CG-CE2 3.8Å; M332-Y336 WeakPolarHBondContact O-CD2 3.36Å; M332-Y336 PolarHBondContact O-N 3.43Å
333Y92.3Very high90.4Very high23 Ų2331.7 Ų31.79%0.0916%0.161CC..Hα-helixtrans-58-45.9175.9-86.6-84.2000111.2A243 D244 L247 I329 I335 Y336 T337 D339 V341A243-Y333 HydrophobicContact CB-CD1 3.68Å; A243-Y333 HydrophobicContact CB-CE1 3.73Å; A243-Y333 HydrophobicContact CB-CG 4.14Å; D244-Y333 WeakPolarHBondContact OD1-CE1 3.37Å; D244-Y333 PolarHBondContact OD1-OH 3.38Å; L247-Y333 HydrophobicContact CD1-CE2 4.24Å; L247-Y333 WeakPolarHBondContact CD1-OH 3.48Å; I329-Y333 HydrophobicContact CG2-CD2 3.68Å; I329-Y333 HydrophobicContact CG2-CE2 3.7Å; I329-Y333 VanDerWaalsContact O-CD2 3.32Å; I329-Y333 WeakPolarHBondContact O-CD2 3.38Å; I329-Y333 PolarHBondContact O-N 3.14Å; Y333-I335 VanDerWaalsContact C-N 3.29Å; Y333-I335 PolarHBondContact O-N 3.03Å; Y333-Y336 PolarHBondContact O-N 3.04Å; Y333-Y336 VanDerWaalsContact O-N 3.11Å; Y333-T337 PolarHBondContact O-N 3.09Å; Y333-T337 PolarHBondContact O-OG1 3.26Å; Y333-D339 CarbonylContact C-O 3.57Å; Y333-V341 HydrophobicContact CD1-CG2 4.15Å; Y333-V341 HydrophobicContact CD2-CG2 3.33Å; Y333-V341 HydrophobicContact CE1-CG2 4.33Å; Y333-V341 HydrophobicContact CE2-CG2 3.53Å; Y333-V341 HydrophobicContact CG-CG2 3.66Å
334Y93.3Very high90.1Very high8 Ų834.2 Ų34.23%0.03118%0.177CC..Hα-helixtrans-57.5-40.8177.2172-100.7000113.4R291 H330 I331 M332 Y336 D338 D339 L360 G362 L363R291-Y334 VanDerWaalsContact NH2-CZ 3.31Å; R291-Y334 PolarHBondContact NH2-O 2.91Å; R291-Y334 PolarHBondContact NH2-OH 2.76Å; H330-Y334 WeakPolarHBondContact O-CB 3.32Å; H330-Y334 PolarHBondContact O-N 3.43Å; I331-Y334 PolarHBondContact O-N 3.3Å; M332-Y334 VanDerWaalsContact C-N 3.32Å; M332-Y334 PolarHBondContact O-N 3.07Å; Y334-Y336 VanDerWaalsContact C-N 3.32Å; Y334-Y336 PolarHBondContact O-N 3.27Å; Y334-D338 WeakPolarHBondContact CE2-OD1 3.03Å; Y334-D338 WeakPolarHBondContact O-CA 3.38Å; Y334-D338 PolarHBondContact O-N 3.3Å; Y334-D339 WeakPolarHBondContact CA-O 3.48Å; Y334-D339 PolarHBondContact N-O 3.12Å; Y334-D339 VanDerWaalsContact N-O 3.08Å; Y334-L360 HydrophobicContact CD1-CB 4.49Å; Y334-L360 HydrophobicContact CD1-CD1 4.47Å; Y334-L360 HydrophobicContact CD1-CD2 4.16Å; Y334-L360 HydrophobicContact CE1-CB 4.13Å; Y334-L360 HydrophobicContact CE1-CD2 3.9Å; Y334-L360 HydrophobicContact CE1-CG 4.5Å; Y334-G362 WeakPolarHBondContact OH-CA 3.49Å; Y334-L363 HydrophobicContact CD1-CB 3.73Å; Y334-L363 HydrophobicContact CD1-CD2 4.27Å; Y334-L363 HydrophobicContact CD1-CG 4.47Å; Y334-L363 HydrophobicContact CD2-CB 3.98Å; Y334-L363 HydrophobicContact CD2-CD1 4.24Å; Y334-L363 HydrophobicContact CE1-CB 3.87Å; Y334-L363 HydrophobicContact CE2-CB 4.14Å; Y334-L363 HydrophobicContact CG-CB 3.79Å; Y334-L363 HydrophobicContact CG-CD1 4.07Å; Y334-L363 HydrophobicContact CG-CD2 4.29Å; Y334-L363 HydrophobicContact CG-CG 4.27Å; Y334-L363 VanDerWaalsContact CZ-N 3.32Å
335I93.8Very high89.8Confident0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-64.2-38.5179.3-75.5171.2000111.2F287 F288 R291 F295 I331 M332 Y333 L360F287-I335 HydrophobicContact CB-CG2 3.72Å; F288-I335 HydrophobicContact CD1-CD1 3.47Å; F288-I335 VanDerWaalsContact CD1-CD1 3.47Å; F288-I335 HydrophobicContact CD2-CD1 4.34Å; F288-I335 HydrophobicContact CD2-CG2 3.98Å; F288-I335 HydrophobicContact CE1-CD1 3.4Å; F288-I335 HydrophobicContact CE2-CD1 4.28Å; F288-I335 HydrophobicContact CE2-CG2 4.1Å; F288-I335 HydrophobicContact CG-CD1 3.96Å; F288-I335 HydrophobicContact CG-CG2 4.38Å; F288-I335 HydrophobicContact CZ-CD1 3.83Å; R291-I335 HydrophobicContact CB-CG1 4.46Å; R291-I335 HydrophobicContact CB-CG2 4.5Å; F295-I335 HydrophobicContact CD2-CD1 4.43Å; F295-I335 HydrophobicContact CE2-CD1 4.23Å; I331-I335 HydrophobicContact CG2-CD1 3.79Å; I331-I335 HydrophobicContact CG2-CG1 4.49Å; I331-I335 WeakPolarHBondContact O-CG1 3.15Å; I331-I335 PolarHBondContact O-N 3.24Å; M332-I335 PolarHBondContact O-N 3.16Å; Y333-I335 VanDerWaalsContact C-N 3.29Å; Y333-I335 PolarHBondContact O-N 3.03Å; I335-L360 HydrophobicContact CG1-CD2 4.3Å
336Y92.3Very high89.5Confident0 Ų041.1 Ų41.10%021%0.211CC..Hα-helixtrans-87.7-22.8-179.1-72.4-73000114.9F101 M239 L242 A243 A246 C283 H284 F287 F288 M332 Y333 Y334F101-Y336 WeakPolarHBondContact CE2-O 3.28Å; F101-Y336 WeakPolarHBondContact CZ-O 3.27Å; M239-Y336 WeakPolarHBondContact CB-O 3.47Å; L242-Y336 HydrophobicContact CB-CD1 3.79Å; L242-Y336 HydrophobicContact CB-CE1 3.97Å; L242-Y336 HydrophobicContact CB-CG 4.42Å; L242-Y336 HydrophobicContact CD1-CD1 4.37Å; A243-Y336 HydrophobicContact CB-CD2 3.86Å; A243-Y336 HydrophobicContact CB-CG 4.19Å; A246-Y336 HydrophobicContact CB-CE2 4.36Å; C283-Y336 WeakPolarHBondContact CA-OH 3.42Å; H284-Y336 PolarHBondContact N-OH 3.37Å; H284-Y336 AromaticContact ND1-CE1 3.46Å; H284-Y336 WeakPolarHBondContact ND1-CE1 3.45Å; H284-Y336 AromaticContact ND1-CZ 3.5Å; H284-Y336 PolarHBondContact ND1-OH 3.15Å; F287-Y336 HydrophobicContact CB-CD1 4.33Å; F287-Y336 HydrophobicContact CB-CE1 3.94Å; F287-Y336 AromaticContact CD1-CD1 3.55Å; F287-Y336 HydrophobicContact CD1-CD1 3.55Å; F287-Y336 AromaticContact CD1-CE1 3.9Å; F287-Y336 HydrophobicContact CD1-CE1 3.9Å; F287-Y336 HydrophobicContact CD1-CG 4.41Å; F287-Y336 HydrophobicContact CD2-CD1 4.21Å; F287-Y336 AromaticContact CD2-CE1 3.77Å; F287-Y336 HydrophobicContact CD2-CE1 3.77Å; F287-Y336 AromaticContact CE1-CD1 3.78Å; F287-Y336 HydrophobicContact CE1-CD1 3.78Å; F287-Y336 HydrophobicContact CE1-CE1 4.32Å; F287-Y336 HydrophobicContact CE2-CD1 4.41Å; F287-Y336 HydrophobicContact CE2-CE1 4.2Å; F287-Y336 AromaticContact CG-CD1 3.78Å; F287-Y336 HydrophobicContact CG-CD1 3.78Å; F287-Y336 AromaticContact CG-CE1 3.6Å; F287-Y336 HydrophobicContact CG-CE1 3.6Å; F287-Y336 HydrophobicContact CZ-CD1 4.2Å; F287-Y336 HydrophobicContact CZ-CE1 4.45Å; F288-Y336 HydrophobicContact CE2-CE2 4.11Å; M332-Y336 HydrophobicContact CG-CD2 3.96Å; M332-Y336 HydrophobicContact CG-CE2 3.8Å; M332-Y336 WeakPolarHBondContact O-CD2 3.36Å; M332-Y336 PolarHBondContact O-N 3.43Å; Y333-Y336 PolarHBondContact O-N 3.04Å; Y333-Y336 VanDerWaalsContact O-N 3.11Å; Y334-Y336 VanDerWaalsContact C-N 3.32Å; Y334-Y336 PolarHBondContact O-N 3.27Å
337T88.4Confident89.4Confident11 Ų1136.1 Ų36.17%0.06719%0.189CC..Hα-helixtrans-128-10.3-170.568.90000115Q236 A240 Y333 D339Q236-T337 PolarHBondContact NE2-O 2.95Å; A240-T337 VanDerWaalsContact CA-CG2 3.49Å; A240-T337 HydrophobicContact CB-CG2 3.61Å; Y333-T337 PolarHBondContact O-N 3.09Å; Y333-T337 PolarHBondContact O-OG1 3.26Å; T337-D339 PolarHBondContact O-N 2.71Å; T337-D339 PolarHBondContact OG1-N 2.83Å; T337-D339 VanDerWaalsContact OG1-N 3.12Å; T337-D339 PolarHBondContact OG1-O 2.84Å
338D86.7Confident89.4Confident34 Ų3435.9 Ų35.918%0.18219%0.188CC..SBendtrans63.412.8-166.5-148.728.3000114F101 R291 Y334F101-D338 HydrophobicContact CB-CB 3.51Å; F101-D338 WeakPolarHBondContact CB-OD2 3.2Å; F101-D338 HydrophobicContact CD1-CB 4.33Å; F101-D338 HydrophobicContact CD2-CB 4.14Å; F101-D338 HydrophobicContact CG-CB 3.76Å; R291-D338 IonicContact CZ-OD1 2.91Å; R291-D338 IonicContact NH1-OD1 2.79Å; R291-D338 IonicContact NH2-OD1 3.63Å; R291-D338 PolarHBondContact NH2-OD1 2.89Å; Y334-D338 WeakPolarHBondContact CE2-OD1 3.03Å; Y334-D338 WeakPolarHBondContact O-CA 3.38Å; Y334-D338 PolarHBondContact O-N 3.3Å
339D84.6Confident89.4Confident87 Ų8738.6 Ų38.647%0.46520%0.2SC..SBendtrans-137.5165.4176.8-159.23.7000110.1Y333 Y334 T337Y333-D339 CarbonylContact C-O 3.57Å; Y334-D339 WeakPolarHBondContact CA-O 3.48Å; Y334-D339 PolarHBondContact N-O 3.12Å; Y334-D339 VanDerWaalsContact N-O 3.08Å; T337-D339 PolarHBondContact O-N 2.71Å; T337-D339 PolarHBondContact OG1-N 2.83Å; T337-D339 VanDerWaalsContact OG1-N 3.12Å; T337-D339 PolarHBondContact OG1-O 2.84Å
340T80.5Confident89.5Confident19 Ų1941.7 Ų41.712%0.11722%0.217CC..  trans-117.1156.7179.656.30000110.9H330 L343 L363 L366H330-T340 HydrophobicContact CB-CG2 4.35Å; T340-L343 HydrophobicContact CG2-CD1 4.49Å; T340-L343 WeakPolarHBondContact OG1-CD1 3.49Å; T340-L343 WeakPolarHBondContact OG1-CG 3.28Å; T340-L363 HydrophobicContact CG2-CD1 3.32Å; T340-L366 HydrophobicContact CG2-CD2 3.64Å; T340-L366 VanDerWaalsContact OG1-CD2 3.22Å; T340-L366 WeakPolarHBondContact OG1-CD2 3.36Å
341V79.5Confident89.6Confident39 Ų3940.9 Ų40.924%0.23621%0.213CC..SBendtrans-51.8150.6158.2-168.30000109F255 I329 H330 Y333 L343F255-V341 HydrophobicContact CE1-CG1 4.27Å; F255-V341 HydrophobicContact CZ-CG1 4.21Å; I329-V341 HydrophobicContact CG2-CG2 4.26Å; H330-V341 PolarHBondContact CE1-O 3.38Å; H330-V341 VanDerWaalsContact CE1-O 3.22Å; H330-V341 PolarHBondContact ND1-O 2.83Å; Y333-V341 HydrophobicContact CD1-CG2 4.15Å; Y333-V341 HydrophobicContact CD2-CG2 3.33Å; Y333-V341 HydrophobicContact CE1-CG2 4.33Å; Y333-V341 HydrophobicContact CE2-CG2 3.53Å; Y333-V341 HydrophobicContact CG-CG2 3.66Å; V341-L343 PolarHBondContact O-N 2.79Å
342Q83.7Confident89.6Confident169 Ų16940.9 Ų40.979%0.7921%0.213SC*.  trans-42.2105.7-177.2-175.5175.5-0.400112.4
343L87Confident89.7Confident20 Ų2043.8 Ų43.811%0.10523%0.233CC..  trans-71.3127.7176.4-73.4164.9000109.5T340 V341 V351 L366 T370T340-L343 HydrophobicContact CG2-CD1 4.49Å; T340-L343 WeakPolarHBondContact OG1-CD1 3.49Å; T340-L343 WeakPolarHBondContact OG1-CG 3.28Å; V341-L343 PolarHBondContact O-N 2.79Å; L343-V351 HydrophobicContact CD2-CB 4.27Å; L343-V351 HydrophobicContact CD2-CG1 4.17Å; L343-V351 HydrophobicContact CD2-CG2 4.06Å; L343-L366 HydrophobicContact CD1-CD2 4.28Å; L343-L366 HydrophobicContact CD1-CG 4.09Å; L343-T370 HydrophobicContact CB-CG2 4.16Å
344T88Confident89.8Confident65 Ų6543.4 Ų43.440%0.39923%0.233SC..  trans-100162.2173.564.50000109.9D346 S347 V348T344-D346 PolarHBondContact O-N 2.93Å; T344-S347 PolarHBondContact O-N 3.19Å; T344-S347 PolarHBondContact OG1-N 3.27Å; T344-S347 PolarHBondContact OG1-OG 3Å; T344-V348 VanDerWaalsContact O-CB 3.31Å; T344-V348 WeakPolarHBondContact O-CB 3.42Å; T344-V348 PolarHBondContact O-N 3.34Å
345M86.1Confident89.9Confident72 Ų7243 Ų4336%0.35523%0.231SC..THydrogen-bonded Turntrans-65.8-21.4176.7-66-59.6-7000112.7V348 L371 A374M345-V348 HydrophobicContact SD-CG1 4.47Å; M345-L371 HydrophobicContact CE-CD2 4.08Å; M345-A374 HydrophobicContact CE-CB 3.33Å; M345-A374 HydrophobicContact CG-CB 4.48Å; M345-A374 HydrophobicContact SD-CB 3.52Å; M345-A374 VanDerWaalsContact SD-CB 3.52Å
346D86.4Confident89.9Confident146 Ų14646.2 Ų46.278%0.78125%0.248SC*.THydrogen-bonded Turntrans-76.8-37.9178.5-56.7-33000111.3T344T344-D346 PolarHBondContact O-N 2.93Å
347S90.7Very high90Very high15 Ų1550.8 Ų50.811%0.10527%0.271CS..THydrogen-bonded Turntrans-94.1-20.1-177.868.60000114.3T344 F349 D350 V351T344-S347 PolarHBondContact O-N 3.19Å; T344-S347 PolarHBondContact OG1-N 3.27Å; T344-S347 PolarHBondContact OG1-OG 3Å; S347-F349 VanDerWaalsContact C-N 3.3Å; S347-F349 PolarHBondContact O-N 3.23Å; S347-D350 PolarHBondContact O-N 3.23Å; S347-V351 VanDerWaalsContact O-CG2 3.29Å; S347-V351 WeakPolarHBondContact O-CG2 2.91Å; S347-V351 PolarHBondContact O-N 3.42Å
348V94.2Very high90.2Very high0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-60.9-34.8-171.166.70000113.7T344 M345 L352 C367 T370 L371T344-V348 VanDerWaalsContact O-CB 3.31Å; T344-V348 WeakPolarHBondContact O-CB 3.42Å; T344-V348 PolarHBondContact O-N 3.34Å; M345-V348 HydrophobicContact SD-CG1 4.47Å; V348-L352 WeakPolarHBondContact O-CB 3.48Å; V348-L352 PolarHBondContact O-N 3.41Å; V348-C367 HydrophobicContact CG2-CB 3.86Å; V348-T370 HydrophobicContact CG2-CG2 4.47Å; V348-L371 HydrophobicContact CB-CD2 4.49Å; V348-L371 HydrophobicContact CG1-CD2 3.53Å; V348-L371 HydrophobicContact CG1-CG 4.3Å; V348-L371 HydrophobicContact CG2-CD2 4.12Å; V348-L371 HydrophobicContact CG2-CG 3.96Å
349F94.1Very high90.5Very high58 Ų5853.1 Ų53.125%0.25428%0.282SS..Hα-helixtrans-70.9-44.2178.4-66.9-75.7000111.7S347 V351 L352 C353 L371 M383 T386S347-F349 VanDerWaalsContact C-N 3.3Å; S347-F349 PolarHBondContact O-N 3.23Å; F349-V351 VanDerWaalsContact C-N 3.35Å; F349-L352 WeakPolarHBondContact O-CB 3.46Å; F349-L352 PolarHBondContact O-N 3.2Å; F349-C353 PolarHBondContact O-N 3.3Å; F349-C353 PolarHBondContact O-SG 3.23Å; F349-L371 HydrophobicContact CE1-CD1 4.44Å; F349-L371 HydrophobicContact CE1-CD2 3.94Å; F349-L371 HydrophobicContact CE2-CD2 4.22Å; F349-L371 HydrophobicContact CZ-CD2 3.69Å; F349-M383 HydrophobicContact CE1-CE 3.68Å; F349-M383 HydrophobicContact CZ-CE 3.39Å; F349-M383 HydrophobicContact CZ-SD 4.4Å; F349-T386 HydrophobicContact CD1-CG2 4.37Å; F349-T386 HydrophobicContact CE1-CG2 4.2Å
350D94.9Very high90.8Very high92 Ų9249 Ų4949%0.49226%0.26SS..Hα-helixtrans-64.5-43.2177.6-65.6-23.2000110.7V327 S347 L352 C353 V354V327-D350 HydrophobicContact CG2-CB 3.68Å; S347-D350 PolarHBondContact O-N 3.23Å; D350-L352 VanDerWaalsContact C-N 3.32Å; D350-L352 PolarHBondContact O-N 3.05Å; D350-C353 PolarHBondContact O-N 3.25Å; D350-V354 WeakPolarHBondContact O-CG2 3.49Å; D350-V354 PolarHBondContact O-N 3.09Å
351V96Very high91Very high0 Ų052 Ų520%028%0.28CS..Hα-helixtrans-62.3-40174178.90000110.9V327 H330 L343 S347 F349 V354 A355 L363V327-V351 HydrophobicContact CB-CG2 4.48Å; V327-V351 HydrophobicContact CG1-CG2 4.17Å; V327-V351 HydrophobicContact CG2-CG2 4.23Å; H330-V351 HydrophobicContact CB-CG1 4.16Å; H330-V351 HydrophobicContact CB-CG2 3.96Å; L343-V351 HydrophobicContact CD2-CB 4.27Å; L343-V351 HydrophobicContact CD2-CG1 4.17Å; L343-V351 HydrophobicContact CD2-CG2 4.06Å; S347-V351 VanDerWaalsContact O-CG2 3.29Å; S347-V351 WeakPolarHBondContact O-CG2 2.91Å; S347-V351 PolarHBondContact O-N 3.42Å; F349-V351 VanDerWaalsContact C-N 3.35Å; V351-V354 PolarHBondContact O-N 2.9Å; V351-A355 WeakPolarHBondContact O-CB 3.47Å; V351-A355 PolarHBondContact O-N 2.76Å; V351-L363 HydrophobicContact CG1-CD1 4.07Å; V351-L363 HydrophobicContact CG1-CD2 4.04Å; V351-L363 HydrophobicContact CG1-CG 4.16Å
352L95.5Very high91.3Very high0 Ų050.4 Ų50.40%027%0.271CS..Hα-helixtrans-63.8-44.6177.5178.161.1000112V348 F349 D350 A355 D356 K364 C367 L371 T386 F390 L392V348-L352 WeakPolarHBondContact O-CB 3.48Å; V348-L352 PolarHBondContact O-N 3.41Å; F349-L352 WeakPolarHBondContact O-CB 3.46Å; F349-L352 PolarHBondContact O-N 3.2Å; D350-L352 VanDerWaalsContact C-N 3.32Å; D350-L352 PolarHBondContact O-N 3.05Å; L352-A355 PolarHBondContact O-N 3.38Å; L352-D356 PolarHBondContact O-N 3.22Å; L352-K364 HydrophobicContact CD1-CB 4.05Å; L352-K364 HydrophobicContact CD1-CG 4.08Å; L352-C367 HydrophobicContact CB-CB 4.07Å; L352-C367 HydrophobicContact CD1-CB 4.01Å; L352-L371 HydrophobicContact CD2-CD1 4.1Å; L352-T386 HydrophobicContact CD2-CG2 3.91Å; L352-F390 HydrophobicContact CD1-CB 4.29Å; L352-F390 HydrophobicContact CD1-CD1 4.33Å; L352-F390 HydrophobicContact CD1-CG 4.16Å; L352-F390 HydrophobicContact CD2-CB 4.33Å; L352-F390 HydrophobicContact CD2-CD2 3.49Å; L352-F390 VanDerWaalsContact CD2-CD2 3.49Å; L352-F390 HydrophobicContact CD2-CE2 3.86Å; L352-F390 HydrophobicContact CD2-CG 3.86Å; L352-F390 HydrophobicContact CG-CB 4.44Å; L352-F390 HydrophobicContact CG-CD1 4.02Å; L352-F390 HydrophobicContact CG-CD2 3.88Å; L352-F390 HydrophobicContact CG-CE1 4.23Å; L352-F390 HydrophobicContact CG-CE2 4.09Å; L352-F390 HydrophobicContact CG-CG 3.84Å; L352-F390 HydrophobicContact CG-CZ 4.27Å; L352-L392 HydrophobicContact CD1-CD1 4.07Å; L352-L392 HydrophobicContact CD2-CD1 4.03Å
353C95.1Very high91.6Very high62 Ų6242.3 Ų42.342%0.41923%0.234SC..Hα-helixtrans-57.9-49175.7-70.20000111.4F349 D350 D356 M357 F390F349-C353 PolarHBondContact O-N 3.3Å; F349-C353 PolarHBondContact O-SG 3.23Å; D350-C353 PolarHBondContact O-N 3.25Å; C353-D356 PolarHBondContact O-N 3.3Å; C353-M357 PolarHBondContact O-N 3.21Å; C353-F390 HydrophobicContact CB-CZ 4.49Å
354V95.8Very high91.8Very high15 Ų1542.7 Ų42.79%0.09123%0.234CC..Hα-helixtrans-72.7-34.1-178.8-175.60000111.5I323 V327 I331 D350 V351 D356 M357 Y358I323-V354 HydrophobicContact CD1-CG1 3.77Å; I323-V354 HydrophobicContact CD1-CG2 4.5Å; I323-V354 HydrophobicContact CG1-CG1 4.28Å; I323-V354 HydrophobicContact CG1-CG2 4.14Å; V327-V354 HydrophobicContact CG1-CB 3.91Å; V327-V354 HydrophobicContact CG1-CG1 4.37Å; V327-V354 HydrophobicContact CG1-CG2 3.75Å; I331-V354 HydrophobicContact CD1-CB 4.02Å; I331-V354 HydrophobicContact CD1-CG1 3.26Å; D350-V354 WeakPolarHBondContact O-CG2 3.49Å; D350-V354 PolarHBondContact O-N 3.09Å; V351-V354 PolarHBondContact O-N 2.9Å; V354-D356 VanDerWaalsContact C-N 3.28Å; V354-D356 PolarHBondContact O-N 2.85Å; V354-M357 HydrophobicContact CG1-CE 4.08Å; V354-M357 PolarHBondContact O-N 3.35Å; V354-Y358 HydrophobicContact CG1-CD1 4.38Å; V354-Y358 HydrophobicContact CG1-CD2 3.67Å; V354-Y358 HydrophobicContact CG1-CE1 4.5Å; V354-Y358 HydrophobicContact CG1-CE2 3.79Å; V354-Y358 HydrophobicContact CG1-CG 4.01Å; V354-Y358 VanDerWaalsContact O-CB 3.31Å; V354-Y358 WeakPolarHBondContact O-CB 3.31Å; V354-Y358 PolarHBondContact O-N 3.26Å
355A95.1Very high91.8Very high0 Ų044.7 Ų44.70%024%0.235CC..Hα-helixtrans-61.5-36.8174.500000112.1V351 L352 L359 L360 L363 K364V351-A355 WeakPolarHBondContact O-CB 3.47Å; V351-A355 PolarHBondContact O-N 2.76Å; L352-A355 PolarHBondContact O-N 3.38Å; A355-L359 PolarHBondContact O-N 3.44Å; A355-L360 HydrophobicContact CB-CB 4.4Å; A355-L360 PolarHBondContact O-N 3.37Å; A355-L363 HydrophobicContact CB-CB 4Å; A355-L363 HydrophobicContact CB-CD2 3.75Å; A355-L363 HydrophobicContact CB-CG 3.7Å; A355-K364 HydrophobicContact CB-CG 3.76Å
356D94.1Very high91.9Very high66 Ų6642.9 Ų42.935%0.35323%0.226SC..Hα-helixtrans-68.7-48.2172.4-166.865.4000112.1L352 C353 V354 Y358 L359 K364 F390L352-D356 PolarHBondContact O-N 3.22Å; C353-D356 PolarHBondContact O-N 3.3Å; V354-D356 VanDerWaalsContact C-N 3.28Å; V354-D356 PolarHBondContact O-N 2.85Å; D356-Y358 VanDerWaalsContact C-N 3.29Å; D356-Y358 PolarHBondContact O-N 3.35Å; D356-L359 PolarHBondContact O-N 2.88Å; D356-L359 VanDerWaalsContact O-N 3.09Å; D356-K364 HydrophobicContact CB-CD 4.07Å; D356-K364 WeakPolarHBondContact OD1-CE 3.14Å; D356-K364 IonicContact OD1-NZ 3.8Å; D356-K364 PolarHBondContact OD1-NZ 3.5Å; D356-F390 HydrophobicContact CB-CD1 3.85Å; D356-F390 HydrophobicContact CB-CE1 3.98Å
357M93Very high92.2Very high96 Ų9635.9 Ų35.947%0.47319%0.189SC..Hα-helixtrans-58.8-39.2177.6-175.7175.773.500112.8I323 C353 V354 L359I323-M357 HydrophobicContact CD1-CE 3.74Å; I323-M357 HydrophobicContact CG1-CE 4.22Å; C353-M357 PolarHBondContact O-N 3.21Å; V354-M357 HydrophobicContact CG1-CE 4.08Å; V354-M357 PolarHBondContact O-N 3.35Å; M357-L359 VanDerWaalsContact C-N 3.3Å
358Y94.3Very high92.2Very high3 Ų335.5 Ų35.51%0.01219%0.187CC..THydrogen-bonded Turntrans-89.98.7-179.6-71-1.5000113.5S292 Y294 F295 L320 I323 I331 V354 D356 L360S292-Y358 PolarHBondContact OG-O 3.02Å; Y294-Y358 WeakPolarHBondContact CB-O 3.34Å; Y294-Y358 AromaticContact CD1-CD1 3.5Å; Y294-Y358 HydrophobicContact CD1-CD1 3.5Å; Y294-Y358 AromaticContact CD1-CE1 3.82Å; Y294-Y358 HydrophobicContact CD1-CE1 3.82Å; Y294-Y358 AromaticContact CD1-CG 3.96Å; Y294-Y358 HydrophobicContact CD1-CG 3.96Å; Y294-Y358 HydrophobicContact CD2-CD1 4.37Å; Y294-Y358 AromaticContact CE1-CD1 3.46Å; Y294-Y358 HydrophobicContact CE1-CD1 3.46Å; Y294-Y358 VanDerWaalsContact CE1-CD1 3.46Å; Y294-Y358 AromaticContact CE1-CE1 3.25Å; Y294-Y358 HydrophobicContact CE1-CE1 3.25Å; Y294-Y358 HydrophobicContact CE1-CG 4.22Å; Y294-Y358 AromaticContact CE1-CZ 3.87Å; Y294-Y358 HydrophobicContact CE2-CD1 4.33Å; Y294-Y358 HydrophobicContact CE2-CE1 4.31Å; Y294-Y358 AromaticContact CG-CD1 3.98Å; Y294-Y358 HydrophobicContact CG-CD1 3.98Å; Y294-Y358 AromaticContact CZ-CD1 3.9Å; Y294-Y358 AromaticContact CZ-CE1 3.54Å; F295-Y358 HydrophobicContact CE1-CE2 4.3Å; F295-Y358 AromaticContact CE2-CD2 3.58Å; F295-Y358 HydrophobicContact CE2-CD2 3.58Å; F295-Y358 HydrophobicContact CE2-CE2 4.01Å; F295-Y358 HydrophobicContact CE2-CG 4.12Å; F295-Y358 AromaticContact CZ-CD2 3.52Å; F295-Y358 HydrophobicContact CZ-CD2 3.52Å; F295-Y358 AromaticContact CZ-CE2 3.42Å; F295-Y358 HydrophobicContact CZ-CE2 3.42Å; F295-Y358 VanDerWaalsContact CZ-CE2 3.42Å; F295-Y358 HydrophobicContact CZ-CG 4.25Å; L320-Y358 HydrophobicContact CD1-CE2 4.48Å; I323-Y358 HydrophobicContact CD1-CE1 3.98Å; I323-Y358 HydrophobicContact CD1-CE2 3.64Å; I323-Y358 WeakPolarHBondContact CD1-OH 3.47Å; I331-Y358 HydrophobicContact CD1-CD2 3.92Å; I331-Y358 HydrophobicContact CD1-CE2 4.15Å; I331-Y358 HydrophobicContact CG2-CD2 4.4Å; V354-Y358 HydrophobicContact CG1-CD1 4.38Å; V354-Y358 HydrophobicContact CG1-CD2 3.67Å; V354-Y358 HydrophobicContact CG1-CE1 4.5Å; V354-Y358 HydrophobicContact CG1-CE2 3.79Å; V354-Y358 HydrophobicContact CG1-CG 4.01Å; V354-Y358 VanDerWaalsContact O-CB 3.31Å; V354-Y358 WeakPolarHBondContact O-CB 3.31Å; V354-Y358 PolarHBondContact O-N 3.26Å; D356-Y358 VanDerWaalsContact C-N 3.29Å; D356-Y358 PolarHBondContact O-N 3.35Å; Y358-L360 PolarHBondContact O-N 2.99Å
359L90.9Very high92Very high92 Ų9241.7 Ų41.748%0.48221%0.214SC..THydrogen-bonded Turntrans54.549.7176-53.9177.4000112.3D293 A355 D356 M357 P361D293-L359 HydrophobicContact CB-CD1 4.03Å; A355-L359 PolarHBondContact O-N 3.44Å; D356-L359 PolarHBondContact O-N 2.88Å; D356-L359 VanDerWaalsContact O-N 3.09Å; M357-L359 VanDerWaalsContact C-N 3.3Å; L359-P361 VanDerWaalsContact C-CD 3.45Å; L359-P361 WeakPolarHBondContact O-CD 3.38Å
360L91.6Very high91.9Very high0 Ų040.2 Ų40.20%021%0.21CC..  trans-109.476179.4-64.1168000110.3I331 Y334 I335 A355 Y358 G362 L363 K364I331-L360 HydrophobicContact CG1-CD1 4.38Å; I331-L360 HydrophobicContact CG2-CD1 3.69Å; Y334-L360 HydrophobicContact CD1-CB 4.49Å; Y334-L360 HydrophobicContact CD1-CD1 4.47Å; Y334-L360 HydrophobicContact CD1-CD2 4.16Å; Y334-L360 HydrophobicContact CE1-CB 4.13Å; Y334-L360 HydrophobicContact CE1-CD2 3.9Å; Y334-L360 HydrophobicContact CE1-CG 4.5Å; I335-L360 HydrophobicContact CG1-CD2 4.3Å; A355-L360 HydrophobicContact CB-CB 4.4Å; A355-L360 PolarHBondContact O-N 3.37Å; Y358-L360 PolarHBondContact O-N 2.99Å; L360-G362 VanDerWaalsContact C-N 3.33Å; L360-G362 PolarHBondContact O-N 2.79Å; L360-L363 HydrophobicContact CB-CB 3.9Å; L360-L363 HydrophobicContact CB-CD2 4.48Å; L360-L363 HydrophobicContact CD1-CD2 3.99Å; L360-L363 WeakPolarHBondContact O-CB 3.28Å; L360-L363 PolarHBondContact O-N 2.63Å; L360-L363 VanDerWaalsContact O-N 3.11Å; L360-K364 PolarHBondContact O-N 2.96Å; L360-K364 VanDerWaalsContact O-N 3.08Å
361P85.3Confident91.8Very high81 Ų8135.8 Ų35.853%0.52619%0.186SC..Hα-helixtrans-62.8-34.7-172.224.4-34.5000113.6L359 L363 K364 R365L359-P361 VanDerWaalsContact C-CD 3.45Å; L359-P361 WeakPolarHBondContact O-CD 3.38Å; P361-L363 VanDerWaalsContact C-N 3.34Å; P361-K364 WeakPolarHBondContact O-CB 3.4Å; P361-K364 PolarHBondContact O-N 3.17Å; P361-R365 PolarHBondContact O-N 3.29Å
362G85.4Confident91.5Very high6 Ų636.7 Ų36.76%0.06219%0.193CC..Hα-helixtrans-68.9-32.1176.600000113Y334 L360 R365 L366Y334-G362 WeakPolarHBondContact OH-CA 3.49Å; L360-G362 VanDerWaalsContact C-N 3.33Å; L360-G362 PolarHBondContact O-N 2.79Å; G362-R365 WeakPolarHBondContact O-CB 3.44Å; G362-R365 PolarHBondContact O-N 3.21Å; G362-L366 PolarHBondContact O-N 3.45Å
363L90.9Very high91.3Very high0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-69.4-42.9173.1-178.854.2000111.1I331 Y334 T340 V351 A355 L360 P361 R365 L366 C367I331-L363 HydrophobicContact CG1-CD2 3.95Å; Y334-L363 HydrophobicContact CD1-CB 3.73Å; Y334-L363 HydrophobicContact CD1-CD2 4.27Å; Y334-L363 HydrophobicContact CD1-CG 4.47Å; Y334-L363 HydrophobicContact CD2-CB 3.98Å; Y334-L363 HydrophobicContact CD2-CD1 4.24Å; Y334-L363 HydrophobicContact CE1-CB 3.87Å; Y334-L363 HydrophobicContact CE2-CB 4.14Å; Y334-L363 HydrophobicContact CG-CB 3.79Å; Y334-L363 HydrophobicContact CG-CD1 4.07Å; Y334-L363 HydrophobicContact CG-CD2 4.29Å; Y334-L363 HydrophobicContact CG-CG 4.27Å; Y334-L363 VanDerWaalsContact CZ-N 3.32Å; T340-L363 HydrophobicContact CG2-CD1 3.32Å; V351-L363 HydrophobicContact CG1-CD1 4.07Å; V351-L363 HydrophobicContact CG1-CD2 4.04Å; V351-L363 HydrophobicContact CG1-CG 4.16Å; A355-L363 HydrophobicContact CB-CB 4Å; A355-L363 HydrophobicContact CB-CD2 3.75Å; A355-L363 HydrophobicContact CB-CG 3.7Å; L360-L363 HydrophobicContact CB-CB 3.9Å; L360-L363 HydrophobicContact CB-CD2 4.48Å; L360-L363 HydrophobicContact CD1-CD2 3.99Å; L360-L363 WeakPolarHBondContact O-CB 3.28Å; L360-L363 PolarHBondContact O-N 2.63Å; L360-L363 VanDerWaalsContact O-N 3.11Å; P361-L363 VanDerWaalsContact C-N 3.34Å; L363-R365 VanDerWaalsContact C-N 3.25Å; L363-R365 PolarHBondContact O-N 3.35Å; L363-L366 WeakPolarHBondContact O-CB 3.4Å; L363-L366 PolarHBondContact O-N 3.02Å; L363-C367 PolarHBondContact O-N 3.41Å; L363-C367 PolarHBondContact O-SG 3.22Å
364K90.3Very high91.2Very high28 Ų2843.1 Ų43.112%0.12222%0.22CC..Hα-helixtrans-55.5-42.6172.3-67.6179.765179.30111.8L352 A355 D356 L360 P361 L366 C367 G368 F390 L392L352-K364 HydrophobicContact CD1-CB 4.05Å; L352-K364 HydrophobicContact CD1-CG 4.08Å; A355-K364 HydrophobicContact CB-CG 3.76Å; D356-K364 HydrophobicContact CB-CD 4.07Å; D356-K364 WeakPolarHBondContact OD1-CE 3.14Å; D356-K364 IonicContact OD1-NZ 3.8Å; D356-K364 PolarHBondContact OD1-NZ 3.5Å; L360-K364 PolarHBondContact O-N 2.96Å; L360-K364 VanDerWaalsContact O-N 3.08Å; P361-K364 WeakPolarHBondContact O-CB 3.4Å; P361-K364 PolarHBondContact O-N 3.17Å; K364-L366 VanDerWaalsContact C-N 3.33Å; K364-L366 PolarHBondContact O-N 3.43Å; K364-C367 PolarHBondContact O-N 3.48Å; K364-G368 PolarHBondContact O-N 2.92Å; K364-F390 VanDerWaalsContact CE-O 3.27Å; K364-F390 WeakPolarHBondContact CE-O 3.13Å; K364-F390 PolarHBondContact NZ-O 2.99Å; K364-L392 HydrophobicContact CB-CD2 4.05Å
365R87.1Confident91.1Very high106 Ų10643.7 Ų43.740%0.422%0.222SC..Hα-helixtrans-62.4-39.1175.8-179.4172.160.1-150.7-3.7111.8D100 P361 G362 L363 G368 K369D100-R365 IonicContact OD2-CZ 2.96Å; D100-R365 IonicContact OD2-NH1 3.61Å; D100-R365 IonicContact OD2-NH2 3.16Å; D100-R365 PolarHBondContact OD2-NH2 2.99Å; P361-R365 PolarHBondContact O-N 3.29Å; G362-R365 WeakPolarHBondContact O-CB 3.44Å; G362-R365 PolarHBondContact O-N 3.21Å; L363-R365 VanDerWaalsContact C-N 3.25Å; L363-R365 PolarHBondContact O-N 3.35Å; R365-G368 PolarHBondContact O-N 3.06Å; R365-K369 PolarHBondContact O-N 3.42Å
366L89Confident91.1Very high34 Ų3446 Ų4618%0.17824%0.238CC..Hα-helixtrans-67.2-43.5175.9-171.162.7000112T340 L343 G362 L363 K364 G368 K369 T370T340-L366 HydrophobicContact CG2-CD2 3.64Å; T340-L366 VanDerWaalsContact OG1-CD2 3.22Å; T340-L366 WeakPolarHBondContact OG1-CD2 3.36Å; L343-L366 HydrophobicContact CD1-CD2 4.28Å; L343-L366 HydrophobicContact CD1-CG 4.09Å; G362-L366 PolarHBondContact O-N 3.45Å; L363-L366 WeakPolarHBondContact O-CB 3.4Å; L363-L366 PolarHBondContact O-N 3.02Å; K364-L366 VanDerWaalsContact C-N 3.33Å; K364-L366 PolarHBondContact O-N 3.43Å; L366-G368 PolarHBondContact O-N 3.32Å; L366-K369 PolarHBondContact O-N 3.05Å; L366-T370 PolarHBondContact O-N 3.21Å; L366-T370 PolarHBondContact O-OG1 3.35Å
367C93.2Very high91Very high0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-57.1-48.1171.6-68.10000111.1V348 L352 L363 K364 K369 T370 L371V348-C367 HydrophobicContact CG2-CB 3.86Å; L352-C367 HydrophobicContact CB-CB 4.07Å; L352-C367 HydrophobicContact CD1-CB 4.01Å; L363-C367 PolarHBondContact O-N 3.41Å; L363-C367 PolarHBondContact O-SG 3.22Å; K364-C367 PolarHBondContact O-N 3.48Å; C367-K369 VanDerWaalsContact C-N 3.33Å; C367-K369 PolarHBondContact O-N 3.21Å; C367-T370 PolarHBondContact O-N 3.35Å; C367-T370 VanDerWaalsContact O-N 3.09Å; C367-L371 WeakPolarHBondContact O-CG 3.49Å; C367-L371 PolarHBondContact O-N 2.58Å
368G90.9Very high90.9Very high6 Ų647.9 Ų47.96%0.06225%0.248CC..Hα-helixtrans-58.3-42176.500000113K364 R365 L366 T370 L371 A372K364-G368 PolarHBondContact O-N 2.92Å; R365-G368 PolarHBondContact O-N 3.06Å; L366-G368 PolarHBondContact O-N 3.32Å; G368-T370 VanDerWaalsContact C-N 3.3Å; G368-T370 PolarHBondContact O-N 2.95Å; G368-L371 PolarHBondContact O-N 2.96Å; G368-A372 WeakPolarHBondContact O-CB 3.49Å; G368-A372 PolarHBondContact O-N 3.24Å
369K89.3Confident90.8Very high131 Ų13149.4 Ų49.457%0.5726%0.257SS*.Hα-helixtrans-63.9-33.8175.5-174.4-178.6179.9-175.80112.7R365 L366 C367 K373R365-K369 PolarHBondContact O-N 3.42Å; L366-K369 PolarHBondContact O-N 3.05Å; C367-K369 VanDerWaalsContact C-N 3.33Å; C367-K369 PolarHBondContact O-N 3.21Å; K369-K373 WeakPolarHBondContact O-CG 3.35Å
370T91.3Very high91Very high26 Ų2645 Ų4516%0.1623%0.234CC..Hα-helixtrans-72.6-46.2175.8-62.30000110.9L343 V348 L366 C367 G368 A372 K373L343-T370 HydrophobicContact CB-CG2 4.16Å; V348-T370 HydrophobicContact CG2-CG2 4.47Å; L366-T370 PolarHBondContact O-N 3.21Å; L366-T370 PolarHBondContact O-OG1 3.35Å; C367-T370 PolarHBondContact O-N 3.35Å; C367-T370 VanDerWaalsContact O-N 3.09Å; G368-T370 VanDerWaalsContact C-N 3.3Å; G368-T370 PolarHBondContact O-N 2.95Å; T370-A372 VanDerWaalsContact C-N 3.29Å; T370-A372 PolarHBondContact O-N 3.24Å; T370-K373 WeakPolarHBondContact O-CB 3.33Å; T370-K373 PolarHBondContact O-N 2.85Å; T370-K373 VanDerWaalsContact O-N 3.17Å
371L93.2Very high91.1Very high0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-57.5-41.9175.1-70.1173.9000112M345 V348 F349 L352 C367 G368 K373 A374 I375 M383 L395M345-L371 HydrophobicContact CE-CD2 4.08Å; V348-L371 HydrophobicContact CB-CD2 4.49Å; V348-L371 HydrophobicContact CG1-CD2 3.53Å; V348-L371 HydrophobicContact CG1-CG 4.3Å; V348-L371 HydrophobicContact CG2-CD2 4.12Å; V348-L371 HydrophobicContact CG2-CG 3.96Å; F349-L371 HydrophobicContact CE1-CD1 4.44Å; F349-L371 HydrophobicContact CE1-CD2 3.94Å; F349-L371 HydrophobicContact CE2-CD2 4.22Å; F349-L371 HydrophobicContact CZ-CD2 3.69Å; L352-L371 HydrophobicContact CD2-CD1 4.1Å; C367-L371 WeakPolarHBondContact O-CG 3.49Å; C367-L371 PolarHBondContact O-N 2.58Å; G368-L371 PolarHBondContact O-N 2.96Å; L371-K373 PolarHBondContact O-N 2.79Å; L371-A374 PolarHBondContact O-N 3.42Å; L371-I375 PolarHBondContact O-N 2.83Å; L371-M383 HydrophobicContact CB-SD 4.14Å; L371-M383 HydrophobicContact CD2-CE 4.47Å; L371-M383 HydrophobicContact CD2-SD 3.86Å; L371-M383 HydrophobicContact CG-SD 4.43Å; L371-L395 HydrophobicContact CB-CD1 4.16Å; L371-L395 HydrophobicContact CB-CD2 3.97Å; L371-L395 HydrophobicContact CD1-CD2 3.91Å
372A90.9Very high91.5Very high18 Ų1847 Ų4715%0.14924%0.236CC..Hα-helixtrans-57-34.3178.300000114.2G368 T370 A374 I375 L395G368-A372 WeakPolarHBondContact O-CB 3.49Å; G368-A372 PolarHBondContact O-N 3.24Å; T370-A372 VanDerWaalsContact C-N 3.29Å; T370-A372 PolarHBondContact O-N 3.24Å; A372-A374 PolarHBondContact O-N 2.8Å; A372-I375 HydrophobicContact CB-CD1 4.5Å; A372-L395 HydrophobicContact CB-CD1 3.87Å
373K91.1Very high91.9Very high165 Ų16546.9 Ų46.972%0.71723%0.234SC*.THydrogen-bonded Turntrans-71.3-18.9178.5-66.6170.6-176.91750112.7K369 T370 L371K369-K373 WeakPolarHBondContact O-CG 3.35Å; T370-K373 WeakPolarHBondContact O-CB 3.33Å; T370-K373 PolarHBondContact O-N 2.85Å; T370-K373 VanDerWaalsContact O-N 3.17Å; L371-K373 PolarHBondContact O-N 2.79Å
374A91.9Very high92.1Very high32 Ų3247.2 Ų47.226%0.26424%0.235SC..THydrogen-bonded Turntrans-104.96.3-175.800000113.2M345 L371 A372 C376 N379M345-A374 HydrophobicContact CE-CB 3.33Å; M345-A374 HydrophobicContact CG-CB 4.48Å; M345-A374 HydrophobicContact SD-CB 3.52Å; M345-A374 VanDerWaalsContact SD-CB 3.52Å; L371-A374 PolarHBondContact O-N 3.42Å; A372-A374 PolarHBondContact O-N 2.8Å; A374-C376 PolarHBondContact O-N 3.31Å; A374-N379 PolarHBondContact O-ND2 3.25Å
375I94.3Very high92.2Very high28 Ų2849.6 Ų49.614%0.14425%0.246CC..  trans-60.3128178.3-64.6170.7000110L371 A372 N379 V380 M383 L395 Q398 F402L371-I375 PolarHBondContact O-N 2.83Å; A372-I375 HydrophobicContact CB-CD1 4.5Å; I375-N379 WeakPolarHBondContact CA-OD1 3.45Å; I375-V380 HydrophobicContact CG2-CB 4.14Å; I375-V380 HydrophobicContact CG2-CG2 4.01Å; I375-M383 HydrophobicContact CG1-CG 4.49Å; I375-L395 HydrophobicContact CD1-CD1 4.02Å; I375-Q398 HydrophobicContact CD1-CB 4.02Å; I375-F402 HydrophobicContact CG2-CB 3.96Å; I375-F402 HydrophobicContact CG2-CD1 3.81Å; I375-F402 HydrophobicContact CG2-CD2 4.08Å; I375-F402 HydrophobicContact CG2-CE1 4.3Å; I375-F402 HydrophobicContact CG2-CG 3.67Å
376C94.2Very high92.5Very high49 Ų4945.1 Ų45.133%0.33123%0.23SC..  trans-142.9174174.772.90000110.8A374 D378 N379 V380A374-C376 PolarHBondContact O-N 3.31Å; C376-D378 PolarHBondContact O-N 2.81Å; C376-N379 PolarHBondContact N-OD1 2.93Å; C376-N379 PolarHBondContact O-N 3.15Å; C376-N379 PolarHBondContact O-OD1 3.1Å; C376-N379 VanDerWaalsContact O-OD1 3.11Å; C376-N379 PolarHBondContact SG-ND2 2.84Å; C376-N379 VanDerWaalsContact SG-ND2 3.41Å; C376-V380 WeakPolarHBondContact O-CB 3.45Å; C376-V380 PolarHBondContact O-N 3.05Å
377E91.9Very high92.6Very high57 Ų5743.5 Ų43.527%0.26622%0.221SC..THydrogen-bonded Turntrans-61.7-28.4-177.5-178170.4-177.500114.3I406 R409 K413E377-I406 HydrophobicContact CB-CD1 4.38Å; E377-I406 HydrophobicContact CG-CD1 4.04Å; E377-R409 IonicContact OE1-CZ 2.89Å; E377-R409 IonicContact OE1-NE 2.71Å; E377-R409 IonicContact OE1-NH1 3.87Å; E377-R409 PolarHBondContact OE1-NH1 2.87Å; E377-R409 IonicContact OE2-CZ 2.73Å; E377-R409 IonicContact OE2-NH1 3.7Å; E377-R409 PolarHBondContact OE2-NH1 3.28Å; E377-R409 IonicContact OE2-NH2 2.57Å; E377-K413 PolarHBondContact O-NZ 3.33Å
378D91.3Very high92.5Very high144 Ų14446.9 Ų46.977%0.7724%0.236SC*.THydrogen-bonded Turntrans-84.7-27.1-178.3-60-33.7000112.4C376C376-D378 PolarHBondContact O-N 2.81Å
379N93.6Very high92.5Very high35 Ų3552.8 Ų52.819%0.18727%0.266CS..THydrogen-bonded Turntrans-108.9-12.8-17473.215.8000114.5A374 I375 C376 L381 H382 M383A374-N379 PolarHBondContact O-ND2 3.25Å; I375-N379 WeakPolarHBondContact CA-OD1 3.45Å; C376-N379 PolarHBondContact N-OD1 2.93Å; C376-N379 PolarHBondContact O-N 3.15Å; C376-N379 PolarHBondContact O-OD1 3.1Å; C376-N379 VanDerWaalsContact O-OD1 3.11Å; C376-N379 PolarHBondContact SG-ND2 2.84Å; C376-N379 VanDerWaalsContact SG-ND2 3.41Å; N379-L381 VanDerWaalsContact C-N 3.28Å; N379-L381 PolarHBondContact O-N 3.49Å; N379-H382 PolarHBondContact O-N 3.32Å; N379-M383 HydrophobicContact CB-CG 4.33Å; N379-M383 WeakPolarHBondContact O-CG 3.17Å; N379-M383 PolarHBondContact O-N 3.27Å
380V95.1Very high92.5Very high0 Ų047.7 Ų47.70%024%0.244CC..Hα-helixtrans-57.3-38.1-171.265.80000113.4I375 C376 M383 W384 C399 F402 M403 I406I375-V380 HydrophobicContact CG2-CB 4.14Å; I375-V380 HydrophobicContact CG2-CG2 4.01Å; C376-V380 WeakPolarHBondContact O-CB 3.45Å; C376-V380 PolarHBondContact O-N 3.05Å; V380-M383 PolarHBondContact O-N 3.42Å; V380-W384 WeakPolarHBondContact O-CB 3.29Å; V380-W384 PolarHBondContact O-N 3.07Å; V380-C399 HydrophobicContact CG2-CB 4.12Å; V380-F402 HydrophobicContact CB-CD1 4Å; V380-F402 HydrophobicContact CB-CE1 4.41Å; V380-F402 HydrophobicContact CG1-CD1 4.3Å; V380-F402 HydrophobicContact CG2-CB 4.35Å; V380-F402 HydrophobicContact CG2-CD1 3.85Å; V380-M403 HydrophobicContact CG1-CG 4.28Å; V380-M403 HydrophobicContact CG2-CE 4.1Å; V380-M403 HydrophobicContact CG2-CG 3.72Å; V380-I406 HydrophobicContact CG1-CD1 4.23Å
381L93.9Very high92.2Very high14 Ų1456.3 Ų56.37%0.07327%0.273CS..Hα-helixtrans-64.6-46.5177.9-60.4-177.6000111.1N379 W384 K385 M403 L410 E415 F416 M419N379-L381 VanDerWaalsContact C-N 3.28Å; N379-L381 PolarHBondContact O-N 3.49Å; L381-W384 PolarHBondContact O-N 3.33Å; L381-K385 WeakPolarHBondContact O-CG 3.46Å; L381-K385 PolarHBondContact O-N 3.09Å; L381-M403 HydrophobicContact CD2-SD 4.23Å; L381-L410 HydrophobicContact CD2-CD1 3.98Å; L381-L410 HydrophobicContact CD2-CD2 4.26Å; L381-L410 HydrophobicContact CD2-CG 4.4Å; L381-L410 HydrophobicContact CG-CD1 4.35Å; L381-E415 HydrophobicContact CD1-CB 3.89Å; L381-F416 HydrophobicContact CD1-CB 4.28Å; L381-F416 HydrophobicContact CD2-CB 4.28Å; L381-F416 HydrophobicContact CD2-CD2 3.65Å; L381-F416 HydrophobicContact CD2-CE2 4.5Å; L381-F416 HydrophobicContact CD2-CG 4.39Å; L381-M419 HydrophobicContact CB-SD 4.17Å; L381-M419 HydrophobicContact CD2-CE 3.53Å; L381-M419 HydrophobicContact CD2-SD 3.9Å
382H93.2Very high91.9Very high109 Ų10957.1 Ų57.151%0.50528%0.277SS..Hα-helixtrans-66.3-39.2176.6-179.562.2000112.1N379 W384 K385 T386N379-H382 PolarHBondContact O-N 3.32Å; H382-W384 VanDerWaalsContact C-N 3.34Å; H382-W384 PolarHBondContact O-N 2.95Å; H382-K385 PolarHBondContact O-N 2.84Å; H382-T386 WeakPolarHBondContact O-CB 3.28Å; H382-T386 PolarHBondContact O-N 2.84Å; H382-T386 PolarHBondContact O-OG1 3.02Å
383M93.9Very high91.6Very high3 Ų358 Ų582%0.01528%0.282CS..Hα-helixtrans-62.1-42.8176.3-69.9-60.390.200111.2F349 L371 I375 N379 V380 T386 A387 C399F349-M383 HydrophobicContact CE1-CE 3.68Å; F349-M383 HydrophobicContact CZ-CE 3.39Å; F349-M383 HydrophobicContact CZ-SD 4.4Å; L371-M383 HydrophobicContact CB-SD 4.14Å; L371-M383 HydrophobicContact CD2-CE 4.47Å; L371-M383 HydrophobicContact CD2-SD 3.86Å; L371-M383 HydrophobicContact CG-SD 4.43Å; I375-M383 HydrophobicContact CG1-CG 4.49Å; N379-M383 HydrophobicContact CB-CG 4.33Å; N379-M383 WeakPolarHBondContact O-CG 3.17Å; N379-M383 PolarHBondContact O-N 3.27Å; V380-M383 PolarHBondContact O-N 3.42Å; M383-T386 WeakPolarHBondContact O-CB 3.25Å; M383-T386 PolarHBondContact O-N 3.16Å; M383-A387 WeakPolarHBondContact O-CB 3.38Å; M383-A387 PolarHBondContact O-N 3.31Å; M383-C399 VanDerWaalsContact CB-SG 3.59Å
384W94.4Very high91.2Very high6 Ų657.6 Ų57.62%0.02328%0.276CS..Hα-helixtrans-65.9-45.5177.2-176.386.5000112.1V380 L381 H382 T386 A387 K388 C399 M403 M419 D423 L438V380-W384 WeakPolarHBondContact O-CB 3.29Å; V380-W384 PolarHBondContact O-N 3.07Å; L381-W384 PolarHBondContact O-N 3.33Å; H382-W384 VanDerWaalsContact C-N 3.34Å; H382-W384 PolarHBondContact O-N 2.95Å; W384-T386 VanDerWaalsContact C-N 3.25Å; W384-T386 PolarHBondContact O-N 2.91Å; W384-A387 WeakPolarHBondContact O-CB 3.48Å; W384-A387 PolarHBondContact O-N 3.5Å; W384-A387 VanDerWaalsContact O-N 3.11Å; W384-K388 HydrophobicContact CH2-CD 3.76Å; W384-K388 HydrophobicContact CZ2-CD 4.16Å; W384-K388 HydrophobicContact CZ3-CD 4.27Å; W384-K388 PolarHBondContact O-N 2.84Å; W384-C399 HydrophobicContact CB-CB 3.85Å; W384-C399 HydrophobicContact CG-CB 4.29Å; W384-M403 HydrophobicContact CB-CE 3.37Å; W384-M403 HydrophobicContact CD2-CE 4.27Å; W384-M403 HydrophobicContact CG-CE 3.42Å; W384-M403 VanDerWaalsContact CG-CE 3.42Å; W384-M419 HydrophobicContact CD2-CE 4.31Å; W384-M419 HydrophobicContact CD2-SD 4.33Å; W384-M419 HydrophobicContact CE3-CE 3.91Å; W384-M419 HydrophobicContact CE3-CG 3.91Å; W384-M419 HydrophobicContact CE3-SD 3.47Å; W384-M419 HydrophobicContact CZ3-CE 4.35Å; W384-M419 HydrophobicContact CZ3-CG 3.7Å; W384-M419 HydrophobicContact CZ3-SD 3.93Å; W384-D423 HydrophobicContact CH2-CB 4.13Å; W384-L438 HydrophobicContact CD2-CD1 4.16Å; W384-L438 HydrophobicContact CH2-CB 4.05Å; W384-L438 HydrophobicContact CH2-CD1 4.34Å; W384-L438 HydrophobicContact CH2-CD2 3.99Å; W384-L438 HydrophobicContact CH2-CG 4.35Å; W384-L438 HydrophobicContact CZ2-CB 3.76Å; W384-L438 HydrophobicContact CZ2-CD1 3.74Å; W384-L438 HydrophobicContact CZ2-CD2 4.22Å; W384-L438 HydrophobicContact CZ2-CG 4.1Å; W384-L438 HydrophobicContact CZ3-CD2 4.24Å
385K92.4Very high91Very high79 Ų7956.2 Ų56.234%0.34326%0.264SS..Hα-helixtrans-57.1-41.5173.8-70.5-169.7-174.6-1570111.5L381 H382 K388 L389 M419 E422L381-K385 WeakPolarHBondContact O-CG 3.46Å; L381-K385 PolarHBondContact O-N 3.09Å; H382-K385 PolarHBondContact O-N 2.84Å; K385-K388 PolarHBondContact O-N 2.77Å; K385-L389 WeakPolarHBondContact O-CB 3.47Å; K385-L389 PolarHBondContact O-N 2.79Å; K385-M419 HydrophobicContact CG-CG 4.44Å; K385-M419 HydrophobicContact CG-SD 4.12Å; K385-E422 WeakPolarHBondContact CE-OE2 3.43Å; K385-E422 IonicContact NZ-OE1 3.6Å; K385-E422 IonicContact NZ-OE2 3.66Å; K385-E422 PolarHBondContact NZ-OE2 2.95Å
386T93.1Very high90.7Very high11 Ų1156.7 Ų56.77%0.06727%0.266CS..Hα-helixtrans-64.8-44.6175.8-56.40000111.3F349 L352 H382 M383 W384 K388 L389 F390F349-T386 HydrophobicContact CD1-CG2 4.37Å; F349-T386 HydrophobicContact CE1-CG2 4.2Å; L352-T386 HydrophobicContact CD2-CG2 3.91Å; H382-T386 WeakPolarHBondContact O-CB 3.28Å; H382-T386 PolarHBondContact O-N 2.84Å; H382-T386 PolarHBondContact O-OG1 3.02Å; M383-T386 WeakPolarHBondContact O-CB 3.25Å; M383-T386 PolarHBondContact O-N 3.16Å; W384-T386 VanDerWaalsContact C-N 3.25Å; W384-T386 PolarHBondContact O-N 2.91Å; T386-K388 VanDerWaalsContact C-N 3.33Å; T386-K388 PolarHBondContact O-N 2.72Å; T386-L389 PolarHBondContact O-N 2.9Å; T386-F390 HydrophobicContact CG2-CD2 3.74Å; T386-F390 HydrophobicContact CG2-CE2 4Å; T386-F390 WeakPolarHBondContact O-CD2 3.31Å; T386-F390 PolarHBondContact O-N 2.68Å
387A91.9Very high90.4Very high0 Ų058.1 Ų58.10%027%0.27CS..Hα-helixtrans-58.6-45.5177.300000111.3M383 W384 R391 L392 L395 E396M383-A387 WeakPolarHBondContact O-CB 3.38Å; M383-A387 PolarHBondContact O-N 3.31Å; W384-A387 WeakPolarHBondContact O-CB 3.48Å; W384-A387 PolarHBondContact O-N 3.5Å; W384-A387 VanDerWaalsContact O-N 3.11Å; A387-R391 CarbonylContact O-C 3.51Å; A387-R391 WeakPolarHBondContact O-CA 3.35Å; A387-R391 PolarHBondContact O-N 3.21Å; A387-L392 HydrophobicContact CB-CB 4.3Å; A387-L392 PolarHBondContact O-N 3.15Å; A387-L395 HydrophobicContact CB-CB 3.97Å; A387-L395 HydrophobicContact CB-CD2 3.88Å; A387-L395 HydrophobicContact CB-CG 3.83Å; A387-E396 HydrophobicContact CB-CB 4.07Å
388K90.1Very high90.2Very high71 Ų7158.6 Ų58.631%0.30927%0.273SS..Hα-helixtrans-64.6-45.9177.1-168.5176178.4-173.60112.1W384 K385 T386 F390 R391 D423 S426W384-K388 HydrophobicContact CH2-CD 3.76Å; W384-K388 HydrophobicContact CZ2-CD 4.16Å; W384-K388 HydrophobicContact CZ3-CD 4.27Å; W384-K388 PolarHBondContact O-N 2.84Å; K385-K388 PolarHBondContact O-N 2.77Å; T386-K388 VanDerWaalsContact C-N 3.33Å; T386-K388 PolarHBondContact O-N 2.72Å; K388-F390 VanDerWaalsContact C-N 3.35Å; K388-F390 PolarHBondContact O-N 3.37Å; K388-R391 PolarHBondContact O-N 3Å; K388-D423 IonicContact NZ-OD1 3.81Å; K388-D423 PolarHBondContact NZ-OD1 3.39Å; K388-S426 PolarHBondContact NZ-OG 3.39Å
389L90.9Very high90.3Very high131 Ų13151.8 Ų51.869%0.68624%0.236SC*.Hα-helixtrans-57.1-46.5178.8-179.264.1000111.9K385 T386K385-L389 WeakPolarHBondContact O-CB 3.47Å; K385-L389 PolarHBondContact O-N 2.79Å; T386-L389 PolarHBondContact O-N 2.9Å
390F89.1Confident90.2Very high24 Ų2450.1 Ų50.111%0.10523%0.227CC..Hα-helixtrans-90.74-179.5-69.5-75.4000113.9L352 C353 D356 K364 T386 K388 L392L352-F390 HydrophobicContact CD1-CB 4.29Å; L352-F390 HydrophobicContact CD1-CD1 4.33Å; L352-F390 HydrophobicContact CD1-CG 4.16Å; L352-F390 HydrophobicContact CD2-CB 4.33Å; L352-F390 HydrophobicContact CD2-CD2 3.49Å; L352-F390 VanDerWaalsContact CD2-CD2 3.49Å; L352-F390 HydrophobicContact CD2-CE2 3.86Å; L352-F390 HydrophobicContact CD2-CG 3.86Å; L352-F390 HydrophobicContact CG-CB 4.44Å; L352-F390 HydrophobicContact CG-CD1 4.02Å; L352-F390 HydrophobicContact CG-CD2 3.88Å; L352-F390 HydrophobicContact CG-CE1 4.23Å; L352-F390 HydrophobicContact CG-CE2 4.09Å; L352-F390 HydrophobicContact CG-CG 3.84Å; L352-F390 HydrophobicContact CG-CZ 4.27Å; C353-F390 HydrophobicContact CB-CZ 4.49Å; D356-F390 HydrophobicContact CB-CD1 3.85Å; D356-F390 HydrophobicContact CB-CE1 3.98Å; K364-F390 VanDerWaalsContact CE-O 3.27Å; K364-F390 WeakPolarHBondContact CE-O 3.13Å; K364-F390 PolarHBondContact NZ-O 2.99Å; T386-F390 HydrophobicContact CG2-CD2 3.74Å; T386-F390 HydrophobicContact CG2-CE2 4Å; T386-F390 WeakPolarHBondContact O-CD2 3.31Å; T386-F390 PolarHBondContact O-N 2.68Å; K388-F390 VanDerWaalsContact C-N 3.35Å; K388-F390 PolarHBondContact O-N 3.37Å; F390-L392 HydrophobicContact CB-CD1 4.18Å; F390-L392 HydrophobicContact CB-CG 3.96Å; F390-L392 PolarHBondContact O-N 3.06Å
391R86.4Confident89.9Confident206 Ų20653.4 Ų53.478%0.77724%0.243SC*.THydrogen-bonded Turntrans55.746.1-178.7-53.9177.7-180168.5-0.5113.3A387 K388 S393A387-R391 CarbonylContact O-C 3.51Å; A387-R391 WeakPolarHBondContact O-CA 3.35Å; A387-R391 PolarHBondContact O-N 3.21Å; K388-R391 PolarHBondContact O-N 3Å; R391-S393 PolarHBondContact O-N 2.69Å
392L86.2Confident89.9Confident17 Ų1755.4 Ų55.49%0.08925%0.251CS..  trans-93.778.6178.4-59.8175.6000110.7L352 K364 A387 F390 R394 L395 E396L352-L392 HydrophobicContact CD1-CD1 4.07Å; L352-L392 HydrophobicContact CD2-CD1 4.03Å; K364-L392 HydrophobicContact CB-CD2 4.05Å; A387-L392 HydrophobicContact CB-CB 4.3Å; A387-L392 PolarHBondContact O-N 3.15Å; F390-L392 HydrophobicContact CB-CD1 4.18Å; F390-L392 HydrophobicContact CB-CG 3.96Å; F390-L392 PolarHBondContact O-N 3.06Å; L392-R394 VanDerWaalsContact C-N 3.31Å; L392-R394 PolarHBondContact O-N 3.29Å; L392-L395 HydrophobicContact CB-CB 3.96Å; L392-L395 HydrophobicContact CD1-CD2 3.94Å; L392-L395 PolarHBondContact O-N 3.23Å; L392-E396 PolarHBondContact O-N 2.84Å
393S83.9Confident89.9Confident36 Ų3650.2 Ų50.225%0.25223%0.227SC..Hα-helixtrans-51.5-44.9-175.152.60000113.8R391 L395 E396 D397R391-S393 PolarHBondContact O-N 2.69Å; S393-L395 VanDerWaalsContact C-N 3.33Å; S393-L395 PolarHBondContact O-N 3.23Å; S393-E396 VanDerWaalsContact O-CB 3.32Å; S393-E396 WeakPolarHBondContact O-CB 3.47Å; S393-E396 PolarHBondContact O-N 3.43Å; S393-D397 PolarHBondContact O-N 3.05Å
394R83.3Confident89.7Confident157 Ų15750.2 Ų50.259%0.59223%0.227SC*.Hα-helixtrans-66.6-33.4-178.9-169.8168.4-178.4156.73113.5D26 L392 Q398D26-R394 IonicContact OD2-NH1 3.81Å; L392-R394 VanDerWaalsContact C-N 3.31Å; L392-R394 PolarHBondContact O-N 3.29Å; R394-Q398 WeakPolarHBondContact O-CB 3.33Å; R394-Q398 WeakPolarHBondContact O-CG 3.36Å; R394-Q398 PolarHBondContact O-N 3.23Å; R394-Q398 PolarHBondContact O-OE1 3.2Å
395L87.8Confident89.5Confident3 Ų355 Ų552%0.01625%0.248CC..Hα-helixtrans-74.1-38174.9179.963.3000110.2L371 A372 I375 A387 L392 S393 Q398 C399L371-L395 HydrophobicContact CB-CD1 4.16Å; L371-L395 HydrophobicContact CB-CD2 3.97Å; L371-L395 HydrophobicContact CD1-CD2 3.91Å; A372-L395 HydrophobicContact CB-CD1 3.87Å; I375-L395 HydrophobicContact CD1-CD1 4.02Å; A387-L395 HydrophobicContact CB-CB 3.97Å; A387-L395 HydrophobicContact CB-CD2 3.88Å; A387-L395 HydrophobicContact CB-CG 3.83Å; L392-L395 HydrophobicContact CB-CB 3.96Å; L392-L395 HydrophobicContact CD1-CD2 3.94Å; L392-L395 PolarHBondContact O-N 3.23Å; S393-L395 VanDerWaalsContact C-N 3.33Å; S393-L395 PolarHBondContact O-N 3.23Å; L395-Q398 PolarHBondContact O-N 3.29Å; L395-C399 WeakPolarHBondContact O-CB 3.32Å; L395-C399 PolarHBondContact O-N 3.04Å; L395-C399 PolarHBondContact O-SG 2.78Å
396E88.6Confident89.5Confident39 Ų3951.8 Ų51.818%0.18224%0.235CC..Hα-helixtrans-57.5-52.1174.7-168.4175.4-178.600111.2A387 L392 S393 Q398 C399 T400A387-E396 HydrophobicContact CB-CB 4.07Å; L392-E396 PolarHBondContact O-N 2.84Å; S393-E396 VanDerWaalsContact O-CB 3.32Å; S393-E396 WeakPolarHBondContact O-CB 3.47Å; S393-E396 PolarHBondContact O-N 3.43Å; E396-Q398 VanDerWaalsContact C-N 3.31Å; E396-Q398 PolarHBondContact O-N 2.67Å; E396-C399 WeakPolarHBondContact O-CB 3.44Å; E396-C399 PolarHBondContact O-N 3.45Å; E396-C399 VanDerWaalsContact O-N 3.13Å; E396-T400 PolarHBondContact O-N 2.85Å; E396-T400 PolarHBondContact O-OG1 3.24Å
397D86.7Confident89.4Confident78 Ų7851.2 Ų51.242%0.41723%0.231SC..Hα-helixtrans-57.3-42175.4-68-21.8000111.9S393 T400 E401S393-D397 PolarHBondContact O-N 3.05Å; D397-T400 WeakPolarHBondContact CA-OG1 3.24Å; D397-T400 PolarHBondContact O-N 2.82Å; D397-T400 PolarHBondContact O-OG1 2.77Å; D397-E401 VanDerWaalsContact O-CB 3.28Å; D397-E401 WeakPolarHBondContact O-CB 3.47Å; D397-E401 PolarHBondContact O-N 3.19Å
398Q87.8Confident89.3Confident68 Ų6855.7 Ų55.732%0.31825%0.252SS..Hα-helixtrans-68.9-35.1178.9-74.6173.4-37.700112.3I375 R394 L395 E396 F402I375-Q398 HydrophobicContact CD1-CB 4.02Å; R394-Q398 WeakPolarHBondContact O-CB 3.33Å; R394-Q398 WeakPolarHBondContact O-CG 3.36Å; R394-Q398 PolarHBondContact O-N 3.23Å; R394-Q398 PolarHBondContact O-OE1 3.2Å; L395-Q398 PolarHBondContact O-N 3.29Å; E396-Q398 VanDerWaalsContact C-N 3.31Å; E396-Q398 PolarHBondContact O-N 2.67Å; Q398-F402 WeakPolarHBondContact O-CB 3.4Å; Q398-F402 PolarHBondContact O-N 3.4Å; Q398-F402 VanDerWaalsContact O-N 3.08Å
399C93.3Very high89.3Confident0 Ų058.3 Ų58.30%026%0.26CS..Hα-helixtrans-67.5-46173.5-730000111.2V380 M383 W384 L395 E396 F402 M403V380-C399 HydrophobicContact CG2-CB 4.12Å; M383-C399 VanDerWaalsContact CB-SG 3.59Å; W384-C399 HydrophobicContact CB-CB 3.85Å; W384-C399 HydrophobicContact CG-CB 4.29Å; L395-C399 WeakPolarHBondContact O-CB 3.32Å; L395-C399 PolarHBondContact O-N 3.04Å; L395-C399 PolarHBondContact O-SG 2.78Å; E396-C399 WeakPolarHBondContact O-CB 3.44Å; E396-C399 PolarHBondContact O-N 3.45Å; E396-C399 VanDerWaalsContact O-N 3.13Å; C399-F402 PolarHBondContact O-N 3.39Å; C399-M403 HydrophobicContact CB-CE 3.95Å; C399-M403 VanDerWaalsContact O-CG 3.3Å; C399-M403 WeakPolarHBondContact O-CG 3.42Å; C399-M403 PolarHBondContact O-N 3.22Å
400T91.9Very high89.3Confident0 Ų052.1 Ų52.10%023%0.227CC..Hα-helixtrans-68-37179.154.70000111.8E396 D397 F402 M403 A404 L438 D441 I442 H445E396-T400 PolarHBondContact O-N 2.85Å; E396-T400 PolarHBondContact O-OG1 3.24Å; D397-T400 WeakPolarHBondContact CA-OG1 3.24Å; D397-T400 PolarHBondContact O-N 2.82Å; D397-T400 PolarHBondContact O-OG1 2.77Å; T400-F402 VanDerWaalsContact C-N 3.32Å; T400-F402 PolarHBondContact O-N 3.44Å; T400-M403 PolarHBondContact O-N 3.44Å; T400-A404 WeakPolarHBondContact O-CB 3.27Å; T400-A404 PolarHBondContact O-N 3.01Å; T400-L438 HydrophobicContact CG2-CD1 4.06Å; T400-D441 HydrophobicContact CG2-CB 3.96Å; T400-I442 HydrophobicContact CG2-CG1 4.47Å; T400-H445 PolarHBondContact OG1-CD2 3.4Å; T400-H445 PolarHBondContact OG1-NE2 3.5Å
401E90.3Very high89.3Confident70 Ų7052.2 Ų52.233%0.32723%0.23SC..Hα-helixtrans-60.3-41.5170.9-166.5-160.5146.500111.5D397 K405D397-E401 VanDerWaalsContact O-CB 3.28Å; D397-E401 WeakPolarHBondContact O-CB 3.47Å; D397-E401 PolarHBondContact O-N 3.19Å; E401-K405 WeakPolarHBondContact O-CG 3.45Å; E401-K405 PolarHBondContact O-N 2.87Å; E401-K405 WeakPolarHBondContact OE1-CE 3.44Å; E401-K405 IonicContact OE1-NZ 2.84Å; E401-K405 PolarHBondContact OE1-NZ 3.41Å
402F92.7Very high89.5Confident56 Ų5650.1 Ų50.125%0.24623%0.229CC..Hα-helixtrans-69.2-43176.1-170.9-92.6000111.8I375 V380 Q398 C399 T400 A404 K405 I406I375-F402 HydrophobicContact CG2-CB 3.96Å; I375-F402 HydrophobicContact CG2-CD1 3.81Å; I375-F402 HydrophobicContact CG2-CD2 4.08Å; I375-F402 HydrophobicContact CG2-CE1 4.3Å; I375-F402 HydrophobicContact CG2-CG 3.67Å; V380-F402 HydrophobicContact CB-CD1 4Å; V380-F402 HydrophobicContact CB-CE1 4.41Å; V380-F402 HydrophobicContact CG1-CD1 4.3Å; V380-F402 HydrophobicContact CG2-CB 4.35Å; V380-F402 HydrophobicContact CG2-CD1 3.85Å; Q398-F402 WeakPolarHBondContact O-CB 3.4Å; Q398-F402 PolarHBondContact O-N 3.4Å; Q398-F402 VanDerWaalsContact O-N 3.08Å; C399-F402 PolarHBondContact O-N 3.39Å; T400-F402 VanDerWaalsContact C-N 3.32Å; T400-F402 PolarHBondContact O-N 3.44Å; F402-A404 VanDerWaalsContact C-N 3.34Å; F402-A404 PolarHBondContact O-N 2.9Å; F402-K405 WeakPolarHBondContact O-CB 3.43Å; F402-K405 PolarHBondContact O-N 3.38Å; F402-K405 VanDerWaalsContact O-N 3.09Å; F402-I406 HydrophobicContact CD1-CD1 4.1Å; F402-I406 HydrophobicContact CD1-CG1 4.41Å; F402-I406 HydrophobicContact CE1-CD1 3.79Å; F402-I406 HydrophobicContact CE1-CG1 4.37Å; F402-I406 HydrophobicContact CE1-CG2 4.21Å; F402-I406 HydrophobicContact CZ-CG2 4.39Å; F402-I406 PolarHBondContact O-N 2.96Å
403M93.6Very high89.7Confident0 Ų052.2 Ų52.20%024%0.238CC..Hα-helixtrans-58.9-43.9175.9-73.4-173.7-122.300111.8V380 L381 W384 C399 T400 K405 I406 I407 L410 F416 M419 L438 I442V380-M403 HydrophobicContact CG1-CG 4.28Å; V380-M403 HydrophobicContact CG2-CE 4.1Å; V380-M403 HydrophobicContact CG2-CG 3.72Å; L381-M403 HydrophobicContact CD2-SD 4.23Å; W384-M403 HydrophobicContact CB-CE 3.37Å; W384-M403 HydrophobicContact CD2-CE 4.27Å; W384-M403 HydrophobicContact CG-CE 3.42Å; W384-M403 VanDerWaalsContact CG-CE 3.42Å; C399-M403 HydrophobicContact CB-CE 3.95Å; C399-M403 VanDerWaalsContact O-CG 3.3Å; C399-M403 WeakPolarHBondContact O-CG 3.42Å; C399-M403 PolarHBondContact O-N 3.22Å; T400-M403 PolarHBondContact O-N 3.44Å; M403-K405 PolarHBondContact O-N 3.1Å; M403-I406 CarbonylContact O-C 3.54Å; M403-I406 PolarHBondContact O-N 3.37Å; M403-I407 WeakPolarHBondContact O-CA 3.22Å; M403-I407 PolarHBondContact O-N 3.15Å; M403-L410 HydrophobicContact CB-CD2 3.85Å; M403-L410 HydrophobicContact CG-CD2 3.69Å; M403-L410 HydrophobicContact SD-CD2 3.93Å; M403-F416 HydrophobicContact SD-CE2 4.02Å; M403-M419 HydrophobicContact CE-CE 4.12Å; M403-M419 HydrophobicContact SD-CE 3.88Å; M403-L438 HydrophobicContact CE-CD1 4.32Å; M403-L438 HydrophobicContact SD-CD1 4.28Å; M403-I442 HydrophobicContact CB-CD1 4.18Å; M403-I442 HydrophobicContact CB-CG1 4.32Å; M403-I442 HydrophobicContact SD-CD1 4.19Å
404A90.2Very high89.9Confident3 Ų357 Ų573%0.02526%0.26CS..Hα-helixtrans-57.1-32.9175.500000112.8T400 F402 I442 H445 I446T400-A404 WeakPolarHBondContact O-CB 3.27Å; T400-A404 PolarHBondContact O-N 3.01Å; F402-A404 VanDerWaalsContact C-N 3.34Å; F402-A404 PolarHBondContact O-N 2.9Å; A404-I442 HydrophobicContact CB-CG2 4.29Å; A404-H445 HydrophobicContact CB-CB 3.68Å; A404-I446 HydrophobicContact CB-CG1 3.84Å
405K89.9Confident90.3Very high107 Ų10756.3 Ų56.347%0.46526%0.264SS..Hα-helixtrans-72.8-29.6176.7-68.6169.4-172.5163.80112.9E401 F402 M403E401-K405 WeakPolarHBondContact O-CG 3.45Å; E401-K405 PolarHBondContact O-N 2.87Å; E401-K405 WeakPolarHBondContact OE1-CE 3.44Å; E401-K405 IonicContact OE1-NZ 2.84Å; E401-K405 PolarHBondContact OE1-NZ 3.41Å; F402-K405 WeakPolarHBondContact O-CB 3.43Å; F402-K405 PolarHBondContact O-N 3.38Å; F402-K405 VanDerWaalsContact O-N 3.09Å; M403-K405 PolarHBondContact O-N 3.1Å
406I91.6Very high90.5Very high10 Ų1056.1 Ų56.15%0.05126%0.263CS..Hα-helixtrans-111.612.7-175.267.6162.9000113.7E377 V380 F402 M403 E408 R409 L410E377-I406 HydrophobicContact CB-CD1 4.38Å; E377-I406 HydrophobicContact CG-CD1 4.04Å; V380-I406 HydrophobicContact CG1-CD1 4.23Å; F402-I406 HydrophobicContact CD1-CD1 4.1Å; F402-I406 HydrophobicContact CD1-CG1 4.41Å; F402-I406 HydrophobicContact CE1-CD1 3.79Å; F402-I406 HydrophobicContact CE1-CG1 4.37Å; F402-I406 HydrophobicContact CE1-CG2 4.21Å; F402-I406 HydrophobicContact CZ-CG2 4.39Å; F402-I406 PolarHBondContact O-N 2.96Å; M403-I406 CarbonylContact O-C 3.54Å; M403-I406 PolarHBondContact O-N 3.37Å; I406-E408 VanDerWaalsContact C-N 3.27Å; I406-E408 PolarHBondContact O-N 2.9Å; I406-E408 VanDerWaalsContact O-N 3.15Å; I406-R409 PolarHBondContact O-N 3.15Å; I406-L410 HydrophobicContact CD1-CD1 4Å; I406-L410 PolarHBondContact O-N 3.22Å; I406-L410 VanDerWaalsContact O-N 3.11Å
407I91.7Very high90.5Very high0 Ų054.7 Ų54.70%026%0.257CS..Hα-helixtrans-56.1-38.5-166.6-166.661.1000113.3M403 R409 L410 V411 F416 I442 I446 K462 L466M403-I407 WeakPolarHBondContact O-CA 3.22Å; M403-I407 PolarHBondContact O-N 3.15Å; I407-R409 PolarHBondContact O-N 2.67Å; I407-L410 HydrophobicContact CD1-CB 4.4Å; I407-L410 HydrophobicContact CD1-CD2 4.29Å; I407-L410 PolarHBondContact O-N 3.24Å; I407-V411 HydrophobicContact CD1-CG1 4.21Å; I407-V411 HydrophobicContact CG1-CG1 4.18Å; I407-V411 WeakPolarHBondContact O-CG1 3.03Å; I407-V411 WeakPolarHBondContact O-CG2 3.39Å; I407-V411 PolarHBondContact O-N 3.43Å; I407-F416 HydrophobicContact CD1-CE1 3.86Å; I407-F416 HydrophobicContact CD1-CZ 3.88Å; I407-I442 HydrophobicContact CD1-CG2 4.15Å; I407-I446 HydrophobicContact CG2-CD1 4.39Å; I407-K462 HydrophobicContact CG2-CB 3.61Å; I407-K462 HydrophobicContact CG2-CD 3.97Å; I407-K462 HydrophobicContact CG2-CG 3.52Å; I407-L466 HydrophobicContact CD1-CD1 4.25Å
408E89.8Confident90.6Very high93 Ų9355.4 Ų55.444%0.43526%0.258SS..Hα-helixtrans-55.4-34.3177-66.9166.8-159.100113.3I406 V411 K462I406-E408 VanDerWaalsContact C-N 3.27Å; I406-E408 PolarHBondContact O-N 2.9Å; I406-E408 VanDerWaalsContact O-N 3.15Å; E408-V411 WeakPolarHBondContact O-CG2 3.42Å; E408-K462 HydrophobicContact CG-CG 4.23Å; E408-K462 WeakPolarHBondContact OE1-CE 3.36Å
409R90.3Very high90.6Very high127 Ų12752.1 Ų52.148%0.47924%0.243SC..Hα-helixtrans-90.6-24176.9-66.2-179.5-76.4157.61.2112.3E377 I406 I407E377-R409 IonicContact OE1-CZ 2.89Å; E377-R409 IonicContact OE1-NE 2.71Å; E377-R409 IonicContact OE1-NH1 3.87Å; E377-R409 PolarHBondContact OE1-NH1 2.87Å; E377-R409 IonicContact OE2-CZ 2.73Å; E377-R409 IonicContact OE2-NH1 3.7Å; E377-R409 PolarHBondContact OE2-NH1 3.28Å; E377-R409 IonicContact OE2-NH2 2.57Å; I406-R409 PolarHBondContact O-N 3.15Å; I407-R409 PolarHBondContact O-N 2.67Å
410L89.8Confident90.4Very high0 Ų052.1 Ų52.10%024%0.243CC..Hα-helixtrans-76.9-35.1-177.2-156.972.7000111.6L381 M403 I406 I407 E412 K413 F416L381-L410 HydrophobicContact CD2-CD1 3.98Å; L381-L410 HydrophobicContact CD2-CD2 4.26Å; L381-L410 HydrophobicContact CD2-CG 4.4Å; L381-L410 HydrophobicContact CG-CD1 4.35Å; M403-L410 HydrophobicContact CB-CD2 3.85Å; M403-L410 HydrophobicContact CG-CD2 3.69Å; M403-L410 HydrophobicContact SD-CD2 3.93Å; I406-L410 HydrophobicContact CD1-CD1 4Å; I406-L410 PolarHBondContact O-N 3.22Å; I406-L410 VanDerWaalsContact O-N 3.11Å; I407-L410 HydrophobicContact CD1-CB 4.4Å; I407-L410 HydrophobicContact CD1-CD2 4.29Å; I407-L410 PolarHBondContact O-N 3.24Å; L410-E412 PolarHBondContact O-N 2.84Å; L410-K413 HydrophobicContact CD1-CD 4.41Å; L410-K413 WeakPolarHBondContact O-CB 3.3Å; L410-K413 PolarHBondContact O-N 2.93Å; L410-F416 HydrophobicContact CB-CD1 4.36Å; L410-F416 HydrophobicContact CD2-CD1 4.07Å; L410-F416 HydrophobicContact CD2-CD2 3.48Å; L410-F416 VanDerWaalsContact CD2-CD2 3.48Å; L410-F416 HydrophobicContact CD2-CE1 4Å; L410-F416 HydrophobicContact CD2-CE2 3.41Å; L410-F416 VanDerWaalsContact CD2-CE2 3.41Å; L410-F416 HydrophobicContact CD2-CG 3.83Å; L410-F416 HydrophobicContact CD2-CZ 3.69Å; L410-F416 HydrophobicContact CG-CB 4.06Å; L410-F416 HydrophobicContact CG-CD1 3.89Å; L410-F416 HydrophobicContact CG-CD2 3.81Å; L410-F416 HydrophobicContact CG-CE1 4.26Å; L410-F416 HydrophobicContact CG-CE2 4.2Å; L410-F416 HydrophobicContact CG-CG 3.65Å; L410-F416 HydrophobicContact CG-CZ 4.41Å; L410-F416 WeakPolarHBondContact O-CB 3.47Å; L410-F416 WeakPolarHBondContact O-CD1 3.32Å
411V90.3Very high90.1Very high26 Ų2655.9 Ų55.916%0.15826%0.259CS..THydrogen-bonded Turntrans-64.4-22.8178.1-66.90000113.3I407 E408 K413 F416 A465 L469I407-V411 HydrophobicContact CD1-CG1 4.21Å; I407-V411 HydrophobicContact CG1-CG1 4.18Å; I407-V411 WeakPolarHBondContact O-CG1 3.03Å; I407-V411 WeakPolarHBondContact O-CG2 3.39Å; I407-V411 PolarHBondContact O-N 3.43Å; E408-V411 WeakPolarHBondContact O-CG2 3.42Å; V411-K413 VanDerWaalsContact C-N 3.29Å; V411-F416 HydrophobicContact CG1-CE1 4.4Å; V411-A465 HydrophobicContact CG2-CB 4.31Å; V411-L469 HydrophobicContact CB-CB 4.25Å; V411-L469 HydrophobicContact CB-CD2 4.21Å; V411-L469 HydrophobicContact CG1-CB 4.11Å; V411-L469 HydrophobicContact CG1-CD2 3.96Å
412E89.3Confident89.9Confident163 Ų16357.6 Ų57.676%0.76227%0.267SS*.THydrogen-bonded Turntrans-77.8-12.5174.7-59.8-176.1169.300113.1L410L410-E412 PolarHBondContact O-N 2.84Å
413K90.7Very high89.5Confident61 Ų6155.1 Ų55.127%0.26526%0.257SS..  trans-90.4120.2-177.5-63.7-172.3-179.8-176.20111.2E377 L410 V411 E415 F416 A417E377-K413 PolarHBondContact O-NZ 3.33Å; L410-K413 HydrophobicContact CD1-CD 4.41Å; L410-K413 WeakPolarHBondContact O-CB 3.3Å; L410-K413 PolarHBondContact O-N 2.93Å; V411-K413 VanDerWaalsContact C-N 3.29Å; K413-E415 PolarHBondContact O-N 2.96Å; K413-F416 HydrophobicContact CB-CB 4.41Å; K413-F416 WeakPolarHBondContact O-CB 3.32Å; K413-F416 PolarHBondContact O-N 3.49Å; K413-A417 PolarHBondContact O-N 3.32Å
414D89Confident88.9Confident137 Ų13755.5 Ų55.573%0.73326%0.26SS*.Hα-helixtrans-56-35.6174.9-66.7-34000112.8F416 A417 E418D414-F416 PolarHBondContact O-N 3.34Å; D414-A417 WeakPolarHBondContact O-CB 3.14Å; D414-A417 PolarHBondContact O-N 2.94Å; D414-A417 VanDerWaalsContact O-N 3.17Å; D414-E418 PolarHBondContact O-N 3.48Å
415E90.6Very high88.5Confident141 Ų14159.3 Ų59.366%0.65929%0.291SS*.Hα-helixtrans-60.3-33.5177.9-65.7-177.7178.700112.9L381 K413 M419L381-E415 HydrophobicContact CD1-CB 3.89Å; K413-E415 PolarHBondContact O-N 2.96Å; E415-M419 WeakPolarHBondContact O-CB 3.44Å; E415-M419 PolarHBondContact O-N 2.99Å; E415-M419 VanDerWaalsContact O-N 3.1Å
416F91.9Very high87.7Confident0 Ų057.4 Ų57.40%029%0.291CS..Hα-helixtrans-72.9-40.9177-179.7-121.9000111L381 M403 I407 L410 V411 K413 D414 E418 M419 I420 L438 I442 L466 L469L381-F416 HydrophobicContact CD1-CB 4.28Å; L381-F416 HydrophobicContact CD2-CB 4.28Å; L381-F416 HydrophobicContact CD2-CD2 3.65Å; L381-F416 HydrophobicContact CD2-CE2 4.5Å; L381-F416 HydrophobicContact CD2-CG 4.39Å; M403-F416 HydrophobicContact SD-CE2 4.02Å; I407-F416 HydrophobicContact CD1-CE1 3.86Å; I407-F416 HydrophobicContact CD1-CZ 3.88Å; L410-F416 HydrophobicContact CB-CD1 4.36Å; L410-F416 HydrophobicContact CD2-CD1 4.07Å; L410-F416 HydrophobicContact CD2-CD2 3.48Å; L410-F416 VanDerWaalsContact CD2-CD2 3.48Å; L410-F416 HydrophobicContact CD2-CE1 4Å; L410-F416 HydrophobicContact CD2-CE2 3.41Å; L410-F416 VanDerWaalsContact CD2-CE2 3.41Å; L410-F416 HydrophobicContact CD2-CG 3.83Å; L410-F416 HydrophobicContact CD2-CZ 3.69Å; L410-F416 HydrophobicContact CG-CB 4.06Å; L410-F416 HydrophobicContact CG-CD1 3.89Å; L410-F416 HydrophobicContact CG-CD2 3.81Å; L410-F416 HydrophobicContact CG-CE1 4.26Å; L410-F416 HydrophobicContact CG-CE2 4.2Å; L410-F416 HydrophobicContact CG-CG 3.65Å; L410-F416 HydrophobicContact CG-CZ 4.41Å; L410-F416 WeakPolarHBondContact O-CB 3.47Å; L410-F416 WeakPolarHBondContact O-CD1 3.32Å; V411-F416 HydrophobicContact CG1-CE1 4.4Å; K413-F416 HydrophobicContact CB-CB 4.41Å; K413-F416 WeakPolarHBondContact O-CB 3.32Å; K413-F416 PolarHBondContact O-N 3.49Å; D414-F416 PolarHBondContact O-N 3.34Å; F416-E418 PolarHBondContact O-N 3.01Å; F416-M419 HydrophobicContact CD2-CE 3.67Å; F416-M419 HydrophobicContact CE2-CE 3.82Å; F416-M419 WeakPolarHBondContact O-CB 3.26Å; F416-M419 PolarHBondContact O-N 2.57Å; F416-I420 HydrophobicContact CD1-CD1 4.13Å; F416-I420 HydrophobicContact CE1-CD1 3.7Å; F416-I420 HydrophobicContact CE2-CD1 4.29Å; F416-I420 HydrophobicContact CE2-CG1 4.32Å; F416-I420 HydrophobicContact CZ-CD1 3.78Å; F416-I420 HydrophobicContact CZ-CG1 4.27Å; F416-I420 WeakPolarHBondContact O-CG1 3.5Å; F416-I420 PolarHBondContact O-N 2.72Å; F416-L438 HydrophobicContact CE2-CD2 4.48Å; F416-I442 HydrophobicContact CE2-CD1 4.09Å; F416-I442 HydrophobicContact CZ-CD1 3.84Å; F416-L466 HydrophobicContact CE1-CD1 4.34Å; F416-L469 HydrophobicContact CD1-CD2 3.53Å; F416-L469 HydrophobicContact CE1-CD2 3.61Å
417A89.3Confident86.7Confident8 Ų859.7 Ų59.77%0.06630%0.304CS..Hα-helixtrans-59.5-44.7175.300000111.9K413 D414 M419 I420 K421 L469 I473K413-A417 PolarHBondContact O-N 3.32Å; D414-A417 WeakPolarHBondContact O-CB 3.14Å; D414-A417 PolarHBondContact O-N 2.94Å; D414-A417 VanDerWaalsContact O-N 3.17Å; A417-M419 VanDerWaalsContact C-N 3.35Å; A417-I420 PolarHBondContact O-N 2.83Å; A417-K421 WeakPolarHBondContact O-CG 3.29Å; A417-K421 PolarHBondContact O-N 2.99Å; A417-L469 HydrophobicContact CB-CD1 4.12Å; A417-I473 HydrophobicContact CB-CG2 4.02Å
418E88.9Confident84.9Confident93 Ų9368.9 Ų68.944%0.43535%0.347SS..Hα-helixtrans-65.4-37.4175.2-68.4-56.4122.200112.1D414 F416 I420 K421 E422D414-E418 PolarHBondContact O-N 3.48Å; F416-E418 PolarHBondContact O-N 3.01Å; E418-I420 PolarHBondContact O-N 3.2Å; E418-K421 WeakPolarHBondContact O-CB 3.45Å; E418-K421 PolarHBondContact O-N 3.18Å; E418-K421 IonicContact OE1-NZ 2.67Å; E418-K421 PolarHBondContact OE1-NZ 3.39Å; E418-E422 WeakPolarHBondContact O-CG 3.37Å; E418-E422 PolarHBondContact O-N 2.87Å
419M87.8Confident83.4Confident0 Ų073.7 Ų73.70%037%0.369CS..Hα-helixtrans-62.4-40.1176-17317386.100112.7L381 W384 K385 M403 E415 F416 A417 E422 D423 L438L381-M419 HydrophobicContact CB-SD 4.17Å; L381-M419 HydrophobicContact CD2-CE 3.53Å; L381-M419 HydrophobicContact CD2-SD 3.9Å; W384-M419 HydrophobicContact CD2-CE 4.31Å; W384-M419 HydrophobicContact CD2-SD 4.33Å; W384-M419 HydrophobicContact CE3-CE 3.91Å; W384-M419 HydrophobicContact CE3-CG 3.91Å; W384-M419 HydrophobicContact CE3-SD 3.47Å; W384-M419 HydrophobicContact CZ3-CE 4.35Å; W384-M419 HydrophobicContact CZ3-CG 3.7Å; W384-M419 HydrophobicContact CZ3-SD 3.93Å; K385-M419 HydrophobicContact CG-CG 4.44Å; K385-M419 HydrophobicContact CG-SD 4.12Å; M403-M419 HydrophobicContact CE-CE 4.12Å; M403-M419 HydrophobicContact SD-CE 3.88Å; E415-M419 WeakPolarHBondContact O-CB 3.44Å; E415-M419 PolarHBondContact O-N 2.99Å; E415-M419 VanDerWaalsContact O-N 3.1Å; F416-M419 HydrophobicContact CD2-CE 3.67Å; F416-M419 HydrophobicContact CE2-CE 3.82Å; F416-M419 WeakPolarHBondContact O-CB 3.26Å; F416-M419 PolarHBondContact O-N 2.57Å; A417-M419 VanDerWaalsContact C-N 3.35Å; M419-E422 PolarHBondContact O-N 3.19Å; M419-D423 WeakPolarHBondContact O-CB 3.43Å; M419-D423 PolarHBondContact O-N 3.14Å; M419-L438 HydrophobicContact CE-CD1 4.2Å; M419-L438 HydrophobicContact CE-CD2 3.49Å; M419-L438 VanDerWaalsContact CE-CD2 3.49Å; M419-L438 HydrophobicContact CE-CG 4.49Å; M419-L438 HydrophobicContact CG-CD2 4.2Å
420I88.5Confident81.9Confident0 Ų071 Ų710%036%0.359CS..Hα-helixtrans-65-41.2175.2-63.5170.8000110.5F416 A417 E418 D423 A424 V436 L438 V439 L469 L470 I473 I475F416-I420 HydrophobicContact CD1-CD1 4.13Å; F416-I420 HydrophobicContact CE1-CD1 3.7Å; F416-I420 HydrophobicContact CE2-CD1 4.29Å; F416-I420 HydrophobicContact CE2-CG1 4.32Å; F416-I420 HydrophobicContact CZ-CD1 3.78Å; F416-I420 HydrophobicContact CZ-CG1 4.27Å; F416-I420 WeakPolarHBondContact O-CG1 3.5Å; F416-I420 PolarHBondContact O-N 2.72Å; A417-I420 PolarHBondContact O-N 2.83Å; E418-I420 PolarHBondContact O-N 3.2Å; I420-D423 PolarHBondContact O-N 3.42Å; I420-A424 WeakPolarHBondContact O-CB 3.48Å; I420-A424 PolarHBondContact O-N 3.29Å; I420-V436 HydrophobicContact CG2-CG1 4.33Å; I420-L438 HydrophobicContact CG1-CD2 3.98Å; I420-V439 HydrophobicContact CG2-CG2 3.95Å; I420-L469 HydrophobicContact CD1-CD2 3.76Å; I420-L470 HydrophobicContact CG2-CD2 3.99Å; I420-I473 HydrophobicContact CB-CD1 4.11Å; I420-I473 HydrophobicContact CD1-CD1 4.49Å; I420-I473 HydrophobicContact CG2-CD1 3.92Å; I420-I475 HydrophobicContact CG2-CD1 3.87Å
421K86.7Confident80.4Confident78 Ų7877.4 Ų77.434%0.33939%0.389SS..Hα-helixtrans-62.4-43.6176.2-69172.9-169.8167.70112A417 E418 A424 A425 I475A417-K421 WeakPolarHBondContact O-CG 3.29Å; A417-K421 PolarHBondContact O-N 2.99Å; E418-K421 WeakPolarHBondContact O-CB 3.45Å; E418-K421 PolarHBondContact O-N 3.18Å; E418-K421 IonicContact OE1-NZ 2.67Å; E418-K421 PolarHBondContact OE1-NZ 3.39Å; K421-A424 PolarHBondContact O-N 3.41Å; K421-A425 WeakPolarHBondContact O-CB 3.29Å; K421-A425 PolarHBondContact O-N 3.42Å; K421-I475 HydrophobicContact CG-CD1 4.01Å
422E85.8Confident78.7Confident106 Ų10684.6 Ų84.650%0.49542%0.42SS..Hα-helixtrans-62-44175.8-74174.9178.900111.5K385 E418 M419 A425 S426K385-E422 WeakPolarHBondContact CE-OE2 3.43Å; K385-E422 IonicContact NZ-OE1 3.6Å; K385-E422 IonicContact NZ-OE2 3.66Å; K385-E422 PolarHBondContact NZ-OE2 2.95Å; E418-E422 WeakPolarHBondContact O-CG 3.37Å; E418-E422 PolarHBondContact O-N 2.87Å; M419-E422 PolarHBondContact O-N 3.19Å; E422-A425 PolarHBondContact O-N 3.23Å; E422-S426 PolarHBondContact O-N 2.86Å
423D83.5Confident77Confident4 Ų481.9 Ų81.92%0.02142%0.415CS..Hα-helixtrans-62.1-48.4177.5-168.152.3000111.3W384 K388 M419 I420 A425 S426 V436 L438W384-D423 HydrophobicContact CH2-CB 4.13Å; K388-D423 IonicContact NZ-OD1 3.81Å; K388-D423 PolarHBondContact NZ-OD1 3.39Å; M419-D423 WeakPolarHBondContact O-CB 3.43Å; M419-D423 PolarHBondContact O-N 3.14Å; I420-D423 PolarHBondContact O-N 3.42Å; D423-A425 VanDerWaalsContact C-N 3.3Å; D423-A425 PolarHBondContact O-N 3.41Å; D423-S426 PolarHBondContact O-N 3.22Å; D423-S426 VanDerWaalsContact O-N 3.12Å; D423-S426 PolarHBondContact O-OG 3.32Å; D423-V436 HydrophobicContact CB-CG1 4.12Å; D423-V436 WeakPolarHBondContact OD2-CG1 3.4Å; D423-L438 HydrophobicContact CB-CB 4.37Å; D423-L438 WeakPolarHBondContact OD2-CB 3.36Å; D423-L438 PolarHBondContact OD2-N 3.08Å
424A82.2Confident75.7Confident8 Ų882 Ų827%0.06642%0.419CS..Hα-helixtrans-57.6-39.7175.800000113.1I420 K421 S426 V436 I475I420-A424 WeakPolarHBondContact O-CB 3.48Å; I420-A424 PolarHBondContact O-N 3.29Å; K421-A424 PolarHBondContact O-N 3.41Å; A424-S426 VanDerWaalsContact C-N 3.31Å; A424-V436 HydrophobicContact CB-CG2 3.84Å; A424-I475 HydrophobicContact CB-CD1 4.09Å
425A80.6Confident74.7Confident83 Ų8377.8 Ų77.869%0.68640%0.4SS*.Hα-helixtrans-73.9-20.7179.500000113.3K421 E422 D423 L427K421-A425 WeakPolarHBondContact O-CB 3.29Å; K421-A425 PolarHBondContact O-N 3.42Å; E422-A425 PolarHBondContact O-N 3.23Å; D423-A425 VanDerWaalsContact C-N 3.3Å; D423-A425 PolarHBondContact O-N 3.41Å; A425-L427 PolarHBondContact O-N 3.31Å
426S74.3Confident74.2Confident67 Ų6771.1 Ų71.147%0.46937%0.369SS..THydrogen-bonded Turntrans-76-7.4-179.172.40000114.5K388 E422 D423 A424 E428K388-S426 PolarHBondContact NZ-OG 3.39Å; E422-S426 PolarHBondContact O-N 2.86Å; D423-S426 PolarHBondContact O-N 3.22Å; D423-S426 VanDerWaalsContact O-N 3.12Å; D423-S426 PolarHBondContact O-OG 3.32Å; A424-S426 VanDerWaalsContact C-N 3.31Å; S426-E428 PolarHBondContact O-N 2.99Å
427L69.4Low73.8Confident59 Ų5973.4 Ų73.431%0.30938%0.384SS..  trans-85.3102.1177-63.4172.7000110.4A425 E429 R430 P437A425-L427 PolarHBondContact O-N 3.31Å; L427-E429 PolarHBondContact O-N 3.23Å; L427-R430 HydrophobicContact CB-CB 4.12Å; L427-R430 HydrophobicContact CB-CG 4.42Å; L427-R430 HydrophobicContact CD1-CG 4.31Å; L427-P437 HydrophobicContact CD2-CG 4.18Å
428E54.1Low73.6Confident193 Ų19373 Ų7390%0.90238%0.381SS*.THydrogen-bonded Turntrans-65.2128.8169.7-68.3-177.5166.600109.4S426S426-E428 PolarHBondContact O-N 2.99Å
429E58.2Low73.6Confident193 Ų19368.6 Ų68.690%0.90236%0.36SS*.THydrogen-bonded Turntrans73.727.3-177.7-50.8-173.3162.400117.1L427 Q431L427-E429 PolarHBondContact O-N 3.23Å; E429-Q431 PolarHBondContact O-N 3.1Å
430R59.8Low73.4Confident72 Ų7271.1 Ų71.127%0.27237%0.374SS..  trans-60.6126.7175.7-162.1-172.5173.7-161-6.7113.1L427 D434 D476L427-R430 HydrophobicContact CB-CB 4.12Å; L427-R430 HydrophobicContact CB-CG 4.42Å; L427-R430 HydrophobicContact CD1-CG 4.31Å; R430-D434 WeakPolarHBondContact CA-OD2 3.49Å; R430-D434 HydrophobicContact CG-CB 3.69Å; R430-D434 PolarHBondContact NE-O 2.82Å; R430-D434 VanDerWaalsContact NE-O 3.14Å; R430-D434 PolarHBondContact NH2-O 2.8Å; R430-D476 PolarHBondContact NH2-O 3.29Å; R430-D476 VanDerWaalsContact NH2-O 3.12Å
431Q56.9Low73.3Confident134 Ų13473.4 Ų73.463%0.62639%0.386SS*.  trans-86154.1162-60.8-1758.900110.2E429 T433 D434E429-Q431 PolarHBondContact O-N 3.1Å; Q431-T433 PolarHBondContact O-N 3Å; Q431-D434 PolarHBondContact N-OD2 2.96Å; Q431-D434 WeakPolarHBondContact O-CB 3.34Å; Q431-D434 PolarHBondContact O-N 3.39Å
432E54.6Low73.3Confident176 Ų17669.7 Ų69.782%0.82237%0.369SS*.THydrogen-bonded Turntrans-56.1-17.4-179.7-72.1175.9169.500114.1
433T54.7Low73.4Confident106 Ų10667.2 Ų67.265%0.6536%0.356SS*.THydrogen-bonded Turntrans-99.90.7178.1570000114.4Q431Q431-T433 PolarHBondContact O-N 3Å
434D62.5Low73.5Confident64 Ų6473.3 Ų73.334%0.34238%0.382SS..PPolyproline II helixtrans-77.3130.8-179.9-71.4-19.4000109.8R430 Q431R430-D434 WeakPolarHBondContact CA-OD2 3.49Å; R430-D434 HydrophobicContact CG-CB 3.69Å; R430-D434 PolarHBondContact NE-O 2.82Å; R430-D434 VanDerWaalsContact NE-O 3.14Å; R430-D434 PolarHBondContact NH2-O 2.8Å; Q431-D434 PolarHBondContact N-OD2 2.96Å; Q431-D434 WeakPolarHBondContact O-CB 3.34Å; Q431-D434 PolarHBondContact O-N 3.39Å
435S68.3Low73.6Confident49 Ų4974.1 Ų74.134%0.34338%0.384SS..PPolyproline II helixtrans-73.1144.6-178.360.10000111.9P437 D440S435-P437 WeakPolarHBondContact O-CD 3.33Å; S435-D440 VanDerWaalsContact CB-CG 3.5Å; S435-D440 WeakPolarHBondContact CB-OD1 3.25Å; S435-D440 WeakPolarHBondContact CB-OD2 3.37Å; S435-D440 PolarHBondContact OG-OD2 3.27Å
436V81Confident73.9Confident0 Ų070.5 Ų70.50%035%0.354CS..PPolyproline II helixtrans-83.3120.3178.31760000108.4I420 D423 A424 L438 V439 D440 I475 C477I420-V436 HydrophobicContact CG2-CG1 4.33Å; D423-V436 HydrophobicContact CB-CG1 4.12Å; D423-V436 WeakPolarHBondContact OD2-CG1 3.4Å; A424-V436 HydrophobicContact CB-CG2 3.84Å; V436-L438 VanDerWaalsContact C-N 3.32Å; V436-L438 HydrophobicContact CG1-CB 4.39Å; V436-L438 PolarHBondContact O-N 3.06Å; V436-V439 HydrophobicContact CB-CB 4.02Å; V436-V439 HydrophobicContact CB-CG2 3.77Å; V436-V439 HydrophobicContact CG1-CB 4.39Å; V436-V439 HydrophobicContact CG1-CG2 3.82Å; V436-V439 WeakPolarHBondContact O-CA 3.37Å; V436-V439 WeakPolarHBondContact O-CB 3.41Å; V436-V439 PolarHBondContact O-N 2.92Å; V436-D440 PolarHBondContact O-N 2.96Å; V436-I475 HydrophobicContact CG2-CG2 4.1Å; V436-C477 VanDerWaalsContact CG2-SG 3.5Å
437P82.2Confident74.2Confident48 Ų4870.2 Ų70.231%0.31236%0.355SS..Hα-helixtrans-51.8-46.6-174.4-29.533.9000113.6L427 S435 V439 D440 D441L427-P437 HydrophobicContact CD2-CG 4.18Å; S435-P437 WeakPolarHBondContact O-CD 3.33Å; P437-V439 VanDerWaalsContact C-N 3.28Å; P437-V439 PolarHBondContact O-N 3.24Å; P437-D440 PolarHBondContact O-N 3.01Å; P437-D441 PolarHBondContact O-N 3.38Å
438L86.5Confident74.6Confident0 Ų070.2 Ų70.20%036%0.36CS..Hα-helixtrans-56.2-43.7176.4170.760.3000112.3W384 T400 M403 F416 M419 I420 D423 V436 I442W384-L438 HydrophobicContact CD2-CD1 4.16Å; W384-L438 HydrophobicContact CH2-CB 4.05Å; W384-L438 HydrophobicContact CH2-CD1 4.34Å; W384-L438 HydrophobicContact CH2-CD2 3.99Å; W384-L438 HydrophobicContact CH2-CG 4.35Å; W384-L438 HydrophobicContact CZ2-CB 3.76Å; W384-L438 HydrophobicContact CZ2-CD1 3.74Å; W384-L438 HydrophobicContact CZ2-CD2 4.22Å; W384-L438 HydrophobicContact CZ2-CG 4.1Å; W384-L438 HydrophobicContact CZ3-CD2 4.24Å; T400-L438 HydrophobicContact CG2-CD1 4.06Å; M403-L438 HydrophobicContact CE-CD1 4.32Å; M403-L438 HydrophobicContact SD-CD1 4.28Å; F416-L438 HydrophobicContact CE2-CD2 4.48Å; M419-L438 HydrophobicContact CE-CD1 4.2Å; M419-L438 HydrophobicContact CE-CD2 3.49Å; M419-L438 VanDerWaalsContact CE-CD2 3.49Å; M419-L438 HydrophobicContact CE-CG 4.49Å; M419-L438 HydrophobicContact CG-CD2 4.2Å; I420-L438 HydrophobicContact CG1-CD2 3.98Å; D423-L438 HydrophobicContact CB-CB 4.37Å; D423-L438 WeakPolarHBondContact OD2-CB 3.36Å; D423-L438 PolarHBondContact OD2-N 3.08Å; V436-L438 VanDerWaalsContact C-N 3.32Å; V436-L438 HydrophobicContact CG1-CB 4.39Å; V436-L438 PolarHBondContact O-N 3.06Å; L438-I442 HydrophobicContact CD1-CD1 3.78Å; L438-I442 HydrophobicContact CD1-CG1 4.33Å; L438-I442 HydrophobicContact CG-CD1 4.14Å; L438-I442 VanDerWaalsContact O-CG1 3.27Å; L438-I442 WeakPolarHBondContact O-CG1 3.44Å; L438-I442 PolarHBondContact O-N 2.97Å; L438-I442 VanDerWaalsContact O-N 3.11Å
439V87.2Confident75.3Confident0 Ų065 Ų650%034%0.338CS..Hα-helixtrans-68.9-42.2-178.3175.90000110I420 V436 P437 I442 R443 L466 L470I420-V439 HydrophobicContact CG2-CG2 3.95Å; V436-V439 HydrophobicContact CB-CB 4.02Å; V436-V439 HydrophobicContact CB-CG2 3.77Å; V436-V439 HydrophobicContact CG1-CB 4.39Å; V436-V439 HydrophobicContact CG1-CG2 3.82Å; V436-V439 WeakPolarHBondContact O-CA 3.37Å; V436-V439 WeakPolarHBondContact O-CB 3.41Å; V436-V439 PolarHBondContact O-N 2.92Å; P437-V439 VanDerWaalsContact C-N 3.28Å; P437-V439 PolarHBondContact O-N 3.24Å; V439-I442 PolarHBondContact O-N 3.34Å; V439-R443 HydrophobicContact CG1-CG 4.35Å; V439-R443 WeakPolarHBondContact O-CB 3.44Å; V439-R443 VanDerWaalsContact O-CG 3.23Å; V439-R443 WeakPolarHBondContact O-CG 3.38Å; V439-R443 PolarHBondContact O-N 2.87Å; V439-L466 HydrophobicContact CG1-CD2 4.13Å; V439-L470 HydrophobicContact CG1-CD1 3.83Å; V439-L470 HydrophobicContact CG2-CD2 3.96Å
440D85.3Confident76.1Confident54 Ų5458 Ų5829%0.28931%0.309SS..Hα-helixtrans-64.4-41177.7-81.8-2.2000112.7S435 V436 P437 R443 F444S435-D440 VanDerWaalsContact CB-CG 3.5Å; S435-D440 WeakPolarHBondContact CB-OD1 3.25Å; S435-D440 WeakPolarHBondContact CB-OD2 3.37Å; S435-D440 PolarHBondContact OG-OD2 3.27Å; V436-D440 PolarHBondContact O-N 2.96Å; P437-D440 PolarHBondContact O-N 3.01Å; D440-R443 PolarHBondContact O-N 2.92Å; D440-R443 IonicContact OD1-NH1 3.58Å; D440-R443 PolarHBondContact OD1-NH1 2.77Å; D440-F444 VanDerWaalsContact O-CB 3.29Å; D440-F444 WeakPolarHBondContact O-CB 3.43Å; D440-F444 PolarHBondContact O-N 2.83Å
441D85.1Confident76.5Confident47 Ų4763.2 Ų63.225%0.25134%0.336SS..Hα-helixtrans-66.3-40.7177.5-68.8-25.4000110.9T400 P437 F444 H445T400-D441 HydrophobicContact CG2-CB 3.96Å; P437-D441 PolarHBondContact O-N 3.38Å; D441-F444 WeakPolarHBondContact O-CB 3.41Å; D441-F444 PolarHBondContact O-N 3.49Å; D441-H445 PolarHBondContact O-CD2 2.99Å; D441-H445 PolarHBondContact O-N 2.99Å
442I87.9Confident77.3Confident0 Ų060.9 Ų60.90%033%0.331CS..Hα-helixtrans-63.3-48173.3-68.3169.4000110.7T400 M403 A404 I407 F416 L438 V439 F444 H445 I446 L466T400-I442 HydrophobicContact CG2-CG1 4.47Å; M403-I442 HydrophobicContact CB-CD1 4.18Å; M403-I442 HydrophobicContact CB-CG1 4.32Å; M403-I442 HydrophobicContact SD-CD1 4.19Å; A404-I442 HydrophobicContact CB-CG2 4.29Å; I407-I442 HydrophobicContact CD1-CG2 4.15Å; F416-I442 HydrophobicContact CE2-CD1 4.09Å; F416-I442 HydrophobicContact CZ-CD1 3.84Å; L438-I442 HydrophobicContact CD1-CD1 3.78Å; L438-I442 HydrophobicContact CD1-CG1 4.33Å; L438-I442 HydrophobicContact CG-CD1 4.14Å; L438-I442 VanDerWaalsContact O-CG1 3.27Å; L438-I442 WeakPolarHBondContact O-CG1 3.44Å; L438-I442 PolarHBondContact O-N 2.97Å; L438-I442 VanDerWaalsContact O-N 3.11Å; V439-I442 PolarHBondContact O-N 3.34Å; I442-F444 VanDerWaalsContact C-N 3.28Å; I442-F444 PolarHBondContact O-N 3.24Å; I442-H445 PolarHBondContact O-N 2.8Å; I442-I446 HydrophobicContact CG2-CD1 3.77Å; I442-I446 HydrophobicContact CG2-CG1 4.36Å; I442-I446 VanDerWaalsContact O-CG1 3.32Å; I442-I446 WeakPolarHBondContact O-CG1 3.32Å; I442-I446 PolarHBondContact O-N 3.47Å; I442-L466 HydrophobicContact CG2-CD2 4.1Å
443R87.4Confident78.1Confident55 Ų5562.3 Ų62.321%0.20833%0.33CS..Hα-helixtrans-56.9-43176.4-75.7170175.3166.7-8111V439 D440 I446 A447 L463 L466 C477V439-R443 HydrophobicContact CG1-CG 4.35Å; V439-R443 WeakPolarHBondContact O-CB 3.44Å; V439-R443 VanDerWaalsContact O-CG 3.23Å; V439-R443 WeakPolarHBondContact O-CG 3.38Å; V439-R443 PolarHBondContact O-N 2.87Å; D440-R443 PolarHBondContact O-N 2.92Å; D440-R443 IonicContact OD1-NH1 3.58Å; D440-R443 PolarHBondContact OD1-NH1 2.77Å; R443-I446 PolarHBondContact O-N 3.27Å; R443-A447 WeakPolarHBondContact O-CB 3.4Å; R443-A447 PolarHBondContact O-N 3.01Å; R443-L463 HydrophobicContact CB-CD2 4.29Å; R443-L463 HydrophobicContact CG-CD2 3.88Å; R443-L466 HydrophobicContact CG-CD2 4.15Å; R443-C477 PolarHBondContact NH2-O 3.42Å
444F86.1Confident78.9Confident132 Ų13261.4 Ų61.458%0.57933%0.328SS*.Hα-helixtrans-59.1-48.6176.5174.2-97.3000111.4D440 D441 I442 I446 A447 S448D440-F444 VanDerWaalsContact O-CB 3.29Å; D440-F444 WeakPolarHBondContact O-CB 3.43Å; D440-F444 PolarHBondContact O-N 2.83Å; D441-F444 WeakPolarHBondContact O-CB 3.41Å; D441-F444 PolarHBondContact O-N 3.49Å; I442-F444 VanDerWaalsContact C-N 3.28Å; I442-F444 PolarHBondContact O-N 3.24Å; F444-I446 PolarHBondContact O-N 2.93Å; F444-A447 PolarHBondContact O-N 3.38Å; F444-S448 WeakPolarHBondContact O-CB 3.23Å; F444-S448 PolarHBondContact O-N 3.12Å; F444-S448 PolarHBondContact O-OG 3.49Å
445H84.5Confident79.6Confident24 Ų2459.3 Ų59.311%0.11132%0.32CS..Hα-helixtrans-67.3-34.4179-77.4-61.4000113.6T400 A404 D441 I442 S448 N449T400-H445 PolarHBondContact OG1-CD2 3.4Å; T400-H445 PolarHBondContact OG1-NE2 3.5Å; A404-H445 HydrophobicContact CB-CB 3.68Å; D441-H445 PolarHBondContact O-CD2 2.99Å; D441-H445 PolarHBondContact O-N 2.99Å; I442-H445 PolarHBondContact O-N 2.8Å; H445-S448 WeakPolarHBondContact CA-OG 3.4Å; H445-S448 PolarHBondContact O-OG 3.1Å; H445-N449 PolarHBondContact O-ND2 3.2Å
446I85Confident80.1Confident8 Ų860.3 Ų60.34%0.04132%0.321CS..Hα-helixtrans-62.8-48172.5-66.6166.8000109.6A404 I407 I442 R443 F444 V450 A459 K462 L463A404-I446 HydrophobicContact CB-CG1 3.84Å; I407-I446 HydrophobicContact CG2-CD1 4.39Å; I442-I446 HydrophobicContact CG2-CD1 3.77Å; I442-I446 HydrophobicContact CG2-CG1 4.36Å; I442-I446 VanDerWaalsContact O-CG1 3.32Å; I442-I446 WeakPolarHBondContact O-CG1 3.32Å; I442-I446 PolarHBondContact O-N 3.47Å; R443-I446 PolarHBondContact O-N 3.27Å; F444-I446 PolarHBondContact O-N 2.93Å; I446-V450 WeakPolarHBondContact O-CG2 3.49Å; I446-A459 HydrophobicContact CG2-CB 3.75Å; I446-K462 HydrophobicContact CD1-CB 4.13Å; I446-K462 HydrophobicContact CG2-CB 4.18Å; I446-L463 HydrophobicContact CB-CD2 4.41Å; I446-L463 HydrophobicContact CD1-CD2 4.09Å; I446-L463 HydrophobicContact CG2-CD1 4.5Å; I446-L463 HydrophobicContact CG2-CD2 4.22Å; I446-L463 HydrophobicContact CG2-CG 3.99Å
447A82.3Confident80.1Confident61 Ų6166.8 Ų66.850%0.50435%0.351SS..Hα-helixtrans-70-35.9-178.500000113.5R443 F444 N449 V450R443-A447 WeakPolarHBondContact O-CB 3.4Å; R443-A447 PolarHBondContact O-N 3.01Å; F444-A447 PolarHBondContact O-N 3.38Å; A447-N449 VanDerWaalsContact C-N 3.25Å; A447-N449 PolarHBondContact O-N 3.07Å; A447-V450 PolarHBondContact O-N 3.35Å
448S78.1Confident80.1Confident58 Ų5868.9 Ų68.941%0.40636%0.357SS..Hα-helixtrans-69.2-22.2-176.866.20000113.6F444 H445 V450F444-S448 WeakPolarHBondContact O-CB 3.23Å; F444-S448 PolarHBondContact O-N 3.12Å; F444-S448 PolarHBondContact O-OG 3.49Å; H445-S448 WeakPolarHBondContact CA-OG 3.4Å; H445-S448 PolarHBondContact O-OG 3.1Å; S448-V450 VanDerWaalsContact C-N 3.31Å
449N67.9Low79.9Confident84 Ų8469.3 Ų69.345%0.44936%0.36SS..THydrogen-bonded Turntrans-86.30.3-177.2-71.8-23000113.7H445 A447 Q451H445-N449 PolarHBondContact O-ND2 3.2Å; A447-N449 VanDerWaalsContact C-N 3.25Å; A447-N449 PolarHBondContact O-N 3.07Å; N449-Q451 PolarHBondContact O-N 2.9Å
450V73.9Confident79.9Confident46 Ų4673.6 Ų73.628%0.27938%0.383SS..  trans-89.6104.7-172.8-175.90000111.5I446 A447 S448 A455 I456 A459I446-V450 WeakPolarHBondContact O-CG2 3.49Å; A447-V450 PolarHBondContact O-N 3.35Å; S448-V450 VanDerWaalsContact C-N 3.31Å; V450-A455 HydrophobicContact CG1-CB 4.25Å; V450-I456 HydrophobicContact CG1-CB 4.08Å; V450-I456 HydrophobicContact CG1-CD1 4.44Å; V450-I456 HydrophobicContact CG1-CG1 3.25Å; V450-A459 HydrophobicContact CG2-CB 3.44Å; V450-A459 VanDerWaalsContact CG2-CB 3.44Å
451Q68.5Low80Confident182 Ų18276.6 Ų76.685%0.8540%0.396SS*.  trans-115.4-13.2177.2-62.9-175.44.600114.2N449N449-Q451 PolarHBondContact O-N 2.9Å
452T75Confident80.1Confident85 Ų8575.7 Ų75.752%0.52139%0.389SS..SBendtrans-136159.5-174.667.30000111.3S454 A455 I456T452-S454 VanDerWaalsContact C-N 3.29Å; T452-S454 PolarHBondContact O-N 2.57Å; T452-A455 WeakPolarHBondContact O-CA 3.2Å; T452-A455 WeakPolarHBondContact O-CB 3.36Å; T452-A455 PolarHBondContact O-N 2.86Å; T452-A455 PolarHBondContact OG1-N 3.34Å; T452-I456 WeakPolarHBondContact O-CG1 3.13Å; T452-I456 PolarHBondContact O-N 3.44Å
453Y70.1Confident80.1Confident205 Ų20577.7 Ų77.780%0.80440%0.4SS*.Hα-helixtrans-57.6-38.1177.9-83.1-84.2000113.4A455 I456 E457Y453-A455 VanDerWaalsContact C-N 3.3Å; Y453-A455 PolarHBondContact O-N 2.61Å; Y453-I456 HydrophobicContact CD1-CD1 4.18Å; Y453-I456 WeakPolarHBondContact O-CB 3.47Å; Y453-I456 PolarHBondContact O-N 3.37Å; Y453-E457 PolarHBondContact O-N 2.97Å
454S72.9Confident80.2Confident87 Ų8780.7 Ų80.761%0.60842%0.416SS*.Hα-helixtrans-64.9-35174.7-172.90000112.3T452 I456 E457 E458T452-S454 VanDerWaalsContact C-N 3.29Å; T452-S454 PolarHBondContact O-N 2.57Å; S454-I456 VanDerWaalsContact C-N 3.31Å; S454-E457 PolarHBondContact O-N 3Å; S454-E458 PolarHBondContact O-N 3.43Å
455A76.6Confident80.2Confident21 Ų2175.4 Ų75.417%0.17440%0.397CS..Hα-helixtrans-73-24.1176.200000112.4V450 T452 Y453 A459V450-A455 HydrophobicContact CG1-CB 4.25Å; T452-A455 WeakPolarHBondContact O-CA 3.2Å; T452-A455 WeakPolarHBondContact O-CB 3.36Å; T452-A455 PolarHBondContact O-N 2.86Å; T452-A455 PolarHBondContact OG1-N 3.34Å; Y453-A455 VanDerWaalsContact C-N 3.3Å; Y453-A455 PolarHBondContact O-N 2.61Å; A455-A459 WeakPolarHBondContact O-CB 3.48Å; A455-A459 PolarHBondContact O-N 3.47Å
456I79.5Confident80.4Confident70 Ų7074.3 Ų74.336%0.35939%0.392SS..Hα-helixtrans-67.3-45173.4-63.8169000109.9V450 T452 Y453 S454 A459 N460V450-I456 HydrophobicContact CG1-CB 4.08Å; V450-I456 HydrophobicContact CG1-CD1 4.44Å; V450-I456 HydrophobicContact CG1-CG1 3.25Å; T452-I456 WeakPolarHBondContact O-CG1 3.13Å; T452-I456 PolarHBondContact O-N 3.44Å; Y453-I456 HydrophobicContact CD1-CD1 4.18Å; Y453-I456 WeakPolarHBondContact O-CB 3.47Å; Y453-I456 PolarHBondContact O-N 3.37Å; S454-I456 VanDerWaalsContact C-N 3.31Å; I456-A459 PolarHBondContact O-N 3.28Å; I456-N460 VanDerWaalsContact O-CG 3.24Å; I456-N460 PolarHBondContact O-N 3.33Å; I456-N460 PolarHBondContact O-ND2 2.81Å
457E80.1Confident80.5Confident135 Ų13579.5 Ų79.563%0.63142%0.416SS*.Hα-helixtrans-64.1-45.4178.5-72.2-179.9176.300111.8Y453 S454 A459 N460 Q461Y453-E457 PolarHBondContact O-N 2.97Å; S454-E457 PolarHBondContact O-N 3Å; E457-A459 PolarHBondContact O-N 3.16Å; E457-N460 PolarHBondContact O-N 3.19Å; E457-Q461 WeakPolarHBondContact O-CG 3.48Å; E457-Q461 PolarHBondContact O-N 3.38Å
458E82.4Confident80.7Confident93 Ų9382.9 Ų82.944%0.43542%0.422SS..Hα-helixtrans-62.5-41.6176.4-168.2-170.5148.900112S454 Q461 K462S454-E458 PolarHBondContact O-N 3.43Å; E458-Q461 PolarHBondContact O-N 2.96Å; E458-K462 WeakPolarHBondContact O-CG 3.45Å; E458-K462 PolarHBondContact O-N 3.02Å; E458-K462 VanDerWaalsContact O-N 3.08Å; E458-K462 IonicContact OE1-NZ 2.71Å; E458-K462 PolarHBondContact OE1-NZ 3.36Å
459A83.1Confident81.2Confident8 Ų880.9 Ų80.97%0.06641%0.406CS..Hα-helixtrans-64.6-39.9176.500000112.4I446 V450 A455 I456 E457 K462 L463I446-A459 HydrophobicContact CG2-CB 3.75Å; V450-A459 HydrophobicContact CG2-CB 3.44Å; V450-A459 VanDerWaalsContact CG2-CB 3.44Å; A455-A459 WeakPolarHBondContact O-CB 3.48Å; A455-A459 PolarHBondContact O-N 3.47Å; I456-A459 PolarHBondContact O-N 3.28Å; E457-A459 PolarHBondContact O-N 3.16Å; A459-K462 PolarHBondContact O-N 3.05Å; A459-L463 VanDerWaalsContact O-CG 3.3Å; A459-L463 WeakPolarHBondContact O-CG 3.35Å; A459-L463 PolarHBondContact O-N 3.24Å
460N86.1Confident82Confident91 Ų9177.2 Ų77.249%0.48739%0.387SS..Hα-helixtrans-64.6-41176.5-72.4-19.3000111.7I456 E457 K462 L463 E464I456-N460 VanDerWaalsContact O-CG 3.24Å; I456-N460 PolarHBondContact O-N 3.33Å; I456-N460 PolarHBondContact O-ND2 2.81Å; E457-N460 PolarHBondContact O-N 3.19Å; N460-K462 VanDerWaalsContact C-N 3.32Å; N460-K462 PolarHBondContact O-N 3.41Å; N460-L463 PolarHBondContact O-N 3.07Å; N460-E464 WeakPolarHBondContact O-CB 3.39Å; N460-E464 PolarHBondContact O-N 2.93Å
461Q86.8Confident82.5Confident117 Ų11779 Ų7955%0.54740%0.401SS..Hα-helixtrans-60.8-42.6175-72.7174.3-6.800111.8E457 E458 E464 A465E457-Q461 WeakPolarHBondContact O-CG 3.48Å; E457-Q461 PolarHBondContact O-N 3.38Å; E458-Q461 PolarHBondContact O-N 2.96Å; Q461-E464 PolarHBondContact O-N 3.43Å; Q461-A465 PolarHBondContact O-N 3.31Å
462K87.9Confident83.3Confident27 Ų2774.2 Ų74.212%0.11739%0.388CS..Hα-helixtrans-63.8-38.9176.4-76.8177173.1168.40113I407 E408 I446 E458 A459 N460 L466I407-K462 HydrophobicContact CG2-CB 3.61Å; I407-K462 HydrophobicContact CG2-CD 3.97Å; I407-K462 HydrophobicContact CG2-CG 3.52Å; E408-K462 HydrophobicContact CG-CG 4.23Å; E408-K462 WeakPolarHBondContact OE1-CE 3.36Å; I446-K462 HydrophobicContact CD1-CB 4.13Å; I446-K462 HydrophobicContact CG2-CB 4.18Å; E458-K462 WeakPolarHBondContact O-CG 3.45Å; E458-K462 PolarHBondContact O-N 3.02Å; E458-K462 VanDerWaalsContact O-N 3.08Å; E458-K462 IonicContact OE1-NZ 2.71Å; E458-K462 PolarHBondContact OE1-NZ 3.36Å; A459-K462 PolarHBondContact O-N 3.05Å; N460-K462 VanDerWaalsContact C-N 3.32Å; N460-K462 PolarHBondContact O-N 3.41Å; K462-L466 PolarHBondContact O-N 3.49Å
463L87.8Confident83.7Confident43 Ų4371.2 Ų71.223%0.22537%0.368CS..Hα-helixtrans-68.9-42.3175.4-70.3170.4000111.5R443 I446 A459 N460 A465 L466 E467R443-L463 HydrophobicContact CB-CD2 4.29Å; R443-L463 HydrophobicContact CG-CD2 3.88Å; I446-L463 HydrophobicContact CB-CD2 4.41Å; I446-L463 HydrophobicContact CD1-CD2 4.09Å; I446-L463 HydrophobicContact CG2-CD1 4.5Å; I446-L463 HydrophobicContact CG2-CD2 4.22Å; I446-L463 HydrophobicContact CG2-CG 3.99Å; A459-L463 VanDerWaalsContact O-CG 3.3Å; A459-L463 WeakPolarHBondContact O-CG 3.35Å; A459-L463 PolarHBondContact O-N 3.24Å; N460-L463 PolarHBondContact O-N 3.07Å; L463-A465 PolarHBondContact O-N 3.05Å; L463-L466 WeakPolarHBondContact O-CB 3.39Å; L463-L466 PolarHBondContact O-N 3.35Å; L463-E467 WeakPolarHBondContact O-CG 3.3Å; L463-E467 PolarHBondContact O-N 3.18Å
464E88.8Confident84.2Confident117 Ų11768.5 Ų68.555%0.54737%0.367SS..Hα-helixtrans-61.3-45177.7-171.1171.2-160.100111.3N460 Q461 L466 E467 E468N460-E464 WeakPolarHBondContact O-CB 3.39Å; N460-E464 PolarHBondContact O-N 2.93Å; Q461-E464 PolarHBondContact O-N 3.43Å; E464-L466 VanDerWaalsContact C-N 3.27Å; E464-L466 PolarHBondContact O-N 3.1Å; E464-E467 PolarHBondContact O-N 2.98Å; E464-E467 VanDerWaalsContact O-N 3.14Å; E464-E468 WeakPolarHBondContact O-CG 3.3Å; E464-E468 PolarHBondContact O-N 2.94Å
465A87.5Confident84.2Confident22 Ų2265.1 Ų65.118%0.18234%0.342CS..Hα-helixtrans-59.5-37.2175.100000112.9V411 Q461 L463 L469V411-A465 HydrophobicContact CG2-CB 4.31Å; Q461-A465 PolarHBondContact O-N 3.31Å; L463-A465 PolarHBondContact O-N 3.05Å; A465-L469 PolarHBondContact O-N 3.35Å
466L87.3Confident83.7Confident1 Ų170.1 Ų70.11%0.00537%0.366CS..Hα-helixtrans-70.8-39.3175.9-177.659.2000111.8I407 F416 V439 I442 R443 K462 L463 E464 L469 L470I407-L466 HydrophobicContact CD1-CD1 4.25Å; F416-L466 HydrophobicContact CE1-CD1 4.34Å; V439-L466 HydrophobicContact CG1-CD2 4.13Å; I442-L466 HydrophobicContact CG2-CD2 4.1Å; R443-L466 HydrophobicContact CG-CD2 4.15Å; K462-L466 PolarHBondContact O-N 3.49Å; L463-L466 WeakPolarHBondContact O-CB 3.39Å; L463-L466 PolarHBondContact O-N 3.35Å; E464-L466 VanDerWaalsContact C-N 3.27Å; E464-L466 PolarHBondContact O-N 3.1Å; L466-L469 PolarHBondContact O-N 3.05Å; L466-L470 HydrophobicContact CG-CD1 4.32Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.35Å; L466-L470 PolarHBondContact O-N 3.16Å
467E87.3Confident82.8Confident116 Ų11669.4 Ų69.454%0.54237%0.367SS..Hα-helixtrans-64.6-41.2175.6-74.2179.4-174.600112.3L463 E464 L469 L470 S471L463-E467 WeakPolarHBondContact O-CG 3.3Å; L463-E467 PolarHBondContact O-N 3.18Å; E464-E467 PolarHBondContact O-N 2.98Å; E464-E467 VanDerWaalsContact O-N 3.14Å; E467-L469 VanDerWaalsContact C-N 3.32Å; E467-L469 PolarHBondContact O-N 2.94Å; E467-L470 PolarHBondContact O-N 3.33Å; E467-S471 WeakPolarHBondContact O-CB 3.35Å; E467-S471 PolarHBondContact O-N 2.72Å
468E87.6Confident82.9Confident133 Ų13366.2 Ų66.262%0.62135%0.354SS*.Hα-helixtrans-59.4-43.6174-73.4-173.9168.400111.6E464 S471 S472E464-E468 WeakPolarHBondContact O-CG 3.3Å; E464-E468 PolarHBondContact O-N 2.94Å; E468-S471 PolarHBondContact O-N 3.02Å; E468-S472 PolarHBondContact O-N 3.23Å
469L87.2Confident82.9Confident16 Ų1664.7 Ų64.78%0.08435%0.35CS..Hα-helixtrans-60.9-50.2174.8179.367.9000111.1V411 F416 A417 I420 A465 L466 E467 S471 S472 I473V411-L469 HydrophobicContact CB-CB 4.25Å; V411-L469 HydrophobicContact CB-CD2 4.21Å; V411-L469 HydrophobicContact CG1-CB 4.11Å; V411-L469 HydrophobicContact CG1-CD2 3.96Å; F416-L469 HydrophobicContact CD1-CD2 3.53Å; F416-L469 HydrophobicContact CE1-CD2 3.61Å; A417-L469 HydrophobicContact CB-CD1 4.12Å; I420-L469 HydrophobicContact CD1-CD2 3.76Å; A465-L469 PolarHBondContact O-N 3.35Å; L466-L469 PolarHBondContact O-N 3.05Å; E467-L469 VanDerWaalsContact C-N 3.32Å; E467-L469 PolarHBondContact O-N 2.94Å; L469-S471 VanDerWaalsContact C-N 3.29Å; L469-S471 PolarHBondContact O-N 3.18Å; L469-S472 WeakPolarHBondContact O-CB 3.48Å; L469-S472 PolarHBondContact O-N 3.44Å; L469-S472 PolarHBondContact O-OG 3.26Å; L469-I473 WeakPolarHBondContact O-CG1 3.48Å; L469-I473 PolarHBondContact O-N 3.43Å; L469-I473 VanDerWaalsContact O-N 3.16Å
470L84.7Confident82.9Confident7 Ų767.9 Ų67.94%0.03737%0.365CS..Hα-helixtrans-58.2-41.4-179.3-70.5169.6000112.1I420 V439 L466 E467 S472 I473 N474 I475I420-L470 HydrophobicContact CG2-CD2 3.99Å; V439-L470 HydrophobicContact CG1-CD1 3.83Å; V439-L470 HydrophobicContact CG2-CD2 3.96Å; L466-L470 HydrophobicContact CG-CD1 4.32Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.35Å; L466-L470 PolarHBondContact O-N 3.16Å; E467-L470 PolarHBondContact O-N 3.33Å; L470-S472 PolarHBondContact O-N 2.59Å; L470-I473 HydrophobicContact CD2-CD1 4.35Å; L470-I473 VanDerWaalsContact O-CG1 3.31Å; L470-I473 WeakPolarHBondContact O-CG1 3.47Å; L470-I473 PolarHBondContact O-N 2.78Å; L470-N474 PolarHBondContact O-N 3.45Å; L470-I475 HydrophobicContact CD2-CB 4.5Å; L470-I475 PolarHBondContact O-N 3.2Å; L470-I475 VanDerWaalsContact O-N 3.08Å
471S85.1Confident82.7Confident83 Ų8366.5 Ų66.558%0.5836%0.358SS*.Hα-helixtrans-61.8-42.3174-172.80000111.7E467 E468 L469 I473 N474E467-S471 WeakPolarHBondContact O-CB 3.35Å; E467-S471 PolarHBondContact O-N 2.72Å; E468-S471 PolarHBondContact O-N 3.02Å; L469-S471 VanDerWaalsContact C-N 3.29Å; L469-S471 PolarHBondContact O-N 3.18Å; S471-I473 VanDerWaalsContact C-N 3.25Å; S471-I473 PolarHBondContact O-N 2.94Å; S471-N474 PolarHBondContact O-N 2.71Å
472S85.8Confident82.5Confident81 Ų8163.4 Ų63.457%0.56635%0.347SS*.Hα-helixtrans-63.7-2917981.30000113.7E468 L469 L470E468-S472 PolarHBondContact O-N 3.23Å; L469-S472 WeakPolarHBondContact O-CB 3.48Å; L469-S472 PolarHBondContact O-N 3.44Å; L469-S472 PolarHBondContact O-OG 3.26Å; L470-S472 PolarHBondContact O-N 2.59Å
473I84Confident82.1Confident22 Ų2265.8 Ų65.811%0.11336%0.362CS..THydrogen-bonded Turntrans-96.67179.560.6-179.6000114A417 I420 L469 L470 S471 I475A417-I473 HydrophobicContact CB-CG2 4.02Å; I420-I473 HydrophobicContact CB-CD1 4.11Å; I420-I473 HydrophobicContact CD1-CD1 4.49Å; I420-I473 HydrophobicContact CG2-CD1 3.92Å; L469-I473 WeakPolarHBondContact O-CG1 3.48Å; L469-I473 PolarHBondContact O-N 3.43Å; L469-I473 VanDerWaalsContact O-N 3.16Å; L470-I473 HydrophobicContact CD2-CD1 4.35Å; L470-I473 VanDerWaalsContact O-CG1 3.31Å; L470-I473 WeakPolarHBondContact O-CG1 3.47Å; L470-I473 PolarHBondContact O-N 2.78Å; S471-I473 VanDerWaalsContact C-N 3.25Å; S471-I473 PolarHBondContact O-N 2.94Å; I473-I475 VanDerWaalsContact C-N 3.3Å; I473-I475 HydrophobicContact CB-CG1 4.5Å; I473-I475 HydrophobicContact CD1-CD1 3.59Å; I473-I475 HydrophobicContact CD1-CG1 4.11Å; I473-I475 HydrophobicContact CG1-CB 4.26Å; I473-I475 HydrophobicContact CG1-CD1 3.92Å; I473-I475 HydrophobicContact CG1-CG1 3.85Å; I473-I475 PolarHBondContact O-N 3.33Å
474N79.4Confident81.7Confident148 Ų14867.4 Ų67.479%0.79137%0.372SS*.THydrogen-bonded Turntrans54.739.9-177.2-59.1-62.2000113.5L470 S471L470-N474 PolarHBondContact O-N 3.45Å; S471-N474 PolarHBondContact O-N 2.71Å
475I73.9Confident81.2Confident16 Ų1663.6 Ų63.68%0.08236%0.358CS..  trans-110.7100.6173.2-54.4180000108.4I420 K421 A424 V436 L470 I473 C477I420-I475 HydrophobicContact CG2-CD1 3.87Å; K421-I475 HydrophobicContact CG-CD1 4.01Å; A424-I475 HydrophobicContact CB-CD1 4.09Å; V436-I475 HydrophobicContact CG2-CG2 4.1Å; L470-I475 HydrophobicContact CD2-CB 4.5Å; L470-I475 PolarHBondContact O-N 3.2Å; L470-I475 VanDerWaalsContact O-N 3.08Å; I473-I475 VanDerWaalsContact C-N 3.3Å; I473-I475 HydrophobicContact CB-CG1 4.5Å; I473-I475 HydrophobicContact CD1-CD1 3.59Å; I473-I475 HydrophobicContact CD1-CG1 4.11Å; I473-I475 HydrophobicContact CG1-CB 4.26Å; I473-I475 HydrophobicContact CG1-CD1 3.92Å; I473-I475 HydrophobicContact CG1-CG1 3.85Å; I473-I475 PolarHBondContact O-N 3.33Å; I475-C477 WeakPolarHBondContact CG2-SG 3.26Å
476D64.6Low80.6Confident126 Ų12667.1 Ų67.167%0.67437%0.373SS*.  trans-75.2125.5169.2-67-28.3000108.5R430R430-D476 PolarHBondContact NH2-O 3.29Å; R430-D476 VanDerWaalsContact NH2-O 3.12Å
477C60.9Low80Confident56 Ų5673.1 Ų73.138%0.37841%0.406SS..  trans-1410-176.8-56.40000112.3V436 R443 I475V436-C477 VanDerWaalsContact CG2-SG 3.5Å; R443-C477 PolarHBondContact NH2-O 3.42Å; I475-C477 WeakPolarHBondContact CG2-SG 3.26Å

Retrieved 477 of 477 residues in 498.9 ms (Link to these results)

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