A0A087Y8I8_POEFO Loading...

Serine/threonine-protein kinase SBK1

AlphaFold DB , UniProt , Accession A0A087Y8I8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 381 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
1E49.3Very low67.3Low126 Ų12687.4 Ų87.459%0.58949%0.492SS*.  0-50.80-64.9-173.8163.200109.7M3 Q4 A5 K59E1-M3 PolarHBondContact O-N 3Å; E1-Q4 PolarHBondContact O-N 3.15Å; E1-Q4 VanDerWaalsContact O-N 3.13Å; E1-A5 PolarHBondContact O-N 3Å; E1-K59 WeakPolarHBondContact OE2-CE 3.48Å; E1-K59 IonicContact OE2-NZ 2.84Å
2D51.1Low68.8Low139 Ų13984.7 Ų84.774%0.74348%0.483SS*.Hα-helixtrans-62-41.2-179-55.2-26.7000114.9Q4 A5 L6D2-Q4 VanDerWaalsContact C-N 3.26Å; D2-Q4 PolarHBondContact O-N 2.95Å; D2-A5 PolarHBondContact O-N 3.18Å; D2-L6 WeakPolarHBondContact O-CG 3.42Å; D2-L6 PolarHBondContact O-N 3.14Å
3M58Low69.7Low167 Ų16784.3 Ų84.382%0.82350%0.497SS*.Hα-helixtrans-64.5-26.5175-81.2-165.4-70.800114.1E1E1-M3 PolarHBondContact O-N 3Å
4Q56.4Low70.6Confident64 Ų6482.4 Ų82.430%0.29950%0.495SS..Hα-helixtrans-84.7-29.9-179.8-70.4174.7-46.300112E1 D2 L6 A7 L62 S66E1-Q4 PolarHBondContact O-N 3.15Å; E1-Q4 VanDerWaalsContact O-N 3.13Å; D2-Q4 VanDerWaalsContact C-N 3.26Å; D2-Q4 PolarHBondContact O-N 2.95Å; Q4-L6 PolarHBondContact O-N 3.34Å; Q4-A7 PolarHBondContact O-N 3.44Å; Q4-A7 VanDerWaalsContact O-N 3.14Å; Q4-L62 HydrophobicContact CB-CD2 4.26Å; Q4-S66 PolarHBondContact NE2-OG 3.42Å; Q4-S66 PolarHBondContact OE1-OG 2.94Å
5A60.6Low71.8Confident40 Ų4080.4 Ų80.433%0.33148%0.481SS..Hα-helixtrans-62.4-36.1170.500000111.3E1 D2 A7 I8 L62E1-A5 PolarHBondContact O-N 3Å; D2-A5 PolarHBondContact O-N 3.18Å; A5-A7 PolarHBondContact O-N 3.43Å; A5-I8 PolarHBondContact O-N 2.98Å; A5-L62 HydrophobicContact CB-CD1 4.12Å
6L59.9Low72.9Confident152 Ų15276.5 Ų76.580%0.79646%0.458SS*.THydrogen-bonded Turntrans-68.9-16.2174.7-65.9171.2000113.9D2 Q4D2-L6 WeakPolarHBondContact O-CG 3.42Å; D2-L6 PolarHBondContact O-N 3.14Å; Q4-L6 PolarHBondContact O-N 3.34Å
7A66.3Low73.8Confident58 Ų5875.2 Ų75.248%0.47946%0.458SS..THydrogen-bonded Turntrans-92.6-8.9179.900000113.5Q4 A5 T9Q4-A7 PolarHBondContact O-N 3.44Å; Q4-A7 VanDerWaalsContact O-N 3.14Å; A5-A7 PolarHBondContact O-N 3.43Å; A7-T9 PolarHBondContact O-N 2.78Å
8I81.1Confident74.9Confident22 Ų2279 Ų7911%0.11347%0.467CS..  trans-75.1115.6177.2-62.5176.5000108.2A5 L58 F61 L62 L84 E86A5-I8 PolarHBondContact O-N 2.98Å; I8-L58 HydrophobicContact CD1-CD1 3.6Å; I8-F61 HydrophobicContact CD1-CE1 4.43Å; I8-L62 HydrophobicContact CD1-CD2 3.9Å; I8-L62 HydrophobicContact CD1-CG 4.47Å; I8-L84 HydrophobicContact CG1-CD2 3.84Å; I8-L84 HydrophobicContact CG1-CG 4Å; I8-E86 HydrophobicContact CG2-CB 3.85Å; I8-E86 HydrophobicContact CG2-CG 3.78Å
9T84.7Confident75.8Confident80 Ų8078.7 Ų78.749%0.49146%0.46SS..EExtended strand (participates in β ladder)trans-86.1139.6169.9540000109.9A7 F85 E86A7-T9 PolarHBondContact O-N 2.78Å; T9-F85 CarbonylContact O-C 3.48Å; T9-F85 WeakPolarHBondContact O-CA 3.46Å; T9-F85 WeakPolarHBondContact O-CB 3.26Å; T9-E86 PolarHBondContact O-N 2.88Å
10S86.4Confident76.8Confident89 Ų8975.7 Ų75.762%0.62244%0.441SS*.EExtended strand (participates in β ladder)trans-88123.7172.5-43.90000109.2E86S10-E86 CarbonylContact C-O 3.59Å; S10-E86 WeakPolarHBondContact CA-O 3.34Å; S10-E86 PolarHBondContact OG-OE1 3.26Å
11L86.8Confident77.8Confident24 Ų2476.7 Ų76.713%0.12644%0.441CS..  trans-118.4133.9178.3-62.8-176.2000110.6D15 V16 F85 E86 T87L11-D15 HydrophobicContact CB-CB 4.38Å; L11-D15 HydrophobicContact CD2-CB 4.3Å; L11-V16 HydrophobicContact CB-CG2 3.92Å; L11-V16 HydrophobicContact CD1-CG2 4.34Å; L11-F85 HydrophobicContact CB-CD2 4.11Å; L11-F85 HydrophobicContact CD1-CB 3.89Å; L11-F85 HydrophobicContact CD1-CD1 4.03Å; L11-F85 HydrophobicContact CD1-CD2 3.81Å; L11-F85 HydrophobicContact CD1-CE1 4.49Å; L11-F85 HydrophobicContact CD1-CE2 4.29Å; L11-F85 HydrophobicContact CD1-CG 3.66Å; L11-F85 HydrophobicContact CG-CB 4.02Å; L11-F85 HydrophobicContact CG-CD2 4.17Å; L11-F85 HydrophobicContact CG-CG 4.19Å; L11-E86 PolarHBondContact N-O 3.35Å; L11-T87 WeakPolarHBondContact O-CA 3.19Å
12S85.1Confident80.1Confident55 Ų5575.6 Ų75.639%0.38544%0.436SS..  trans-69.8160.4168.474.90000110.6A14 D15 V16S12-A14 PolarHBondContact O-N 2.83Å; S12-A14 PolarHBondContact OG-N 3.11Å; S12-D15 WeakPolarHBondContact CB-OD2 3.37Å; S12-D15 PolarHBondContact N-OD2 3.03Å; S12-D15 PolarHBondContact O-N 3.16Å; S12-D15 PolarHBondContact OG-N 3.25Å; S12-D15 VanDerWaalsContact OG-N 3.09Å; S12-D15 PolarHBondContact OG-OD2 3.05Å; S12-V16 WeakPolarHBondContact O-CG2 3.47Å; S12-V16 PolarHBondContact O-N 3.01Å
13A81Confident82.3Confident80 Ų8072.3 Ų72.366%0.66142%0.418SS*.Hα-helixtrans-56.4-35.2173.400000112.2A17A13-A17 PolarHBondContact O-N 3.19Å; A13-A17 VanDerWaalsContact O-N 3.07Å
14A82Confident84.1Confident58 Ų5869.8 Ų69.848%0.47940%0.399SS..Hα-helixtrans-65.6-40.2175.100000111.8S12 A17 K18S12-A14 PolarHBondContact O-N 2.83Å; S12-A14 PolarHBondContact OG-N 3.11Å; A14-A17 PolarHBondContact O-N 3.11Å; A14-K18 VanDerWaalsContact O-CG 3.31Å; A14-K18 WeakPolarHBondContact O-CG 3.31Å; A14-K18 PolarHBondContact O-N 2.78Å
15D89.1Confident86.1Confident52 Ų5271.3 Ų71.328%0.27841%0.406SS..Hα-helixtrans-71.5-35.6179.2-59.3-43.5000112.2L11 S12 A17 K18 Q19L11-D15 HydrophobicContact CB-CB 4.38Å; L11-D15 HydrophobicContact CD2-CB 4.3Å; S12-D15 WeakPolarHBondContact CB-OD2 3.37Å; S12-D15 PolarHBondContact N-OD2 3.03Å; S12-D15 PolarHBondContact O-N 3.16Å; S12-D15 PolarHBondContact OG-N 3.25Å; S12-D15 VanDerWaalsContact OG-N 3.09Å; S12-D15 PolarHBondContact OG-OD2 3.05Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.48Å; D15-K18 PolarHBondContact O-N 2.84Å; D15-K18 IonicContact OD1-NZ 2.84Å; D15-K18 PolarHBondContact OD1-NZ 2.87Å; D15-Q19 WeakPolarHBondContact O-CG 3.36Å; D15-Q19 PolarHBondContact O-N 2.93Å; D15-Q19 VanDerWaalsContact O-N 3.11Å
16V88.4Confident87.7Confident18 Ų1872.1 Ų72.111%0.10941%0.405CS..Hα-helixtrans-59.2-46.4169.71780000110.3L11 S12 K18 Q19 Y20 F85 T87L11-V16 HydrophobicContact CB-CG2 3.92Å; L11-V16 HydrophobicContact CD1-CG2 4.34Å; S12-V16 WeakPolarHBondContact O-CG2 3.47Å; S12-V16 PolarHBondContact O-N 3.01Å; V16-K18 VanDerWaalsContact C-N 3.29Å; V16-K18 PolarHBondContact O-N 2.8Å; V16-Q19 PolarHBondContact O-N 2.62Å; V16-Q19 VanDerWaalsContact O-N 3.16Å; V16-Y20 HydrophobicContact CG1-CD2 4.21Å; V16-Y20 PolarHBondContact O-N 3.48Å; V16-F85 HydrophobicContact CG1-CZ 4.32Å; V16-F85 HydrophobicContact CG2-CD2 4.28Å; V16-F85 HydrophobicContact CG2-CE2 3.52Å; V16-F85 HydrophobicContact CG2-CZ 4.02Å; V16-T87 HydrophobicContact CG2-CG2 4.09Å
17A89.1Confident89.2Confident55 Ų5566.3 Ų66.346%0.45538%0.382SS..Hα-helixtrans-66.9-26.317900000113.9A13 A14 D15 R40A13-A17 PolarHBondContact O-N 3.19Å; A13-A17 VanDerWaalsContact O-N 3.07Å; A14-A17 PolarHBondContact O-N 3.11Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.48Å; A17-R40 PolarHBondContact O-NE 3.47Å; A17-R40 PolarHBondContact O-NH2 2.99Å
18K92.4Very high90.4Very high143 Ų14371.6 Ų71.662%0.62239%0.394SS*.Hα-helixtrans-73.4-30.3172.4-72.9173-162.6160.20112.9A14 D15 V16 R40A14-K18 VanDerWaalsContact O-CG 3.31Å; A14-K18 WeakPolarHBondContact O-CG 3.31Å; A14-K18 PolarHBondContact O-N 2.78Å; D15-K18 PolarHBondContact O-N 2.84Å; D15-K18 IonicContact OD1-NZ 2.84Å; D15-K18 PolarHBondContact OD1-NZ 2.87Å; V16-K18 VanDerWaalsContact C-N 3.29Å; V16-K18 PolarHBondContact O-N 2.8Å; K18-R40 WeakPolarHBondContact O-CD 3.45Å
19Q93Very high90.4Very high74 Ų7472.8 Ų72.835%0.34641%0.412SS..Hα-helixtrans-93-34.9-178.9-67.6-179.11200112.4D15 V16 R40D15-Q19 WeakPolarHBondContact O-CG 3.36Å; D15-Q19 PolarHBondContact O-N 2.93Å; D15-Q19 VanDerWaalsContact O-N 3.11Å; V16-Q19 PolarHBondContact O-N 2.62Å; V16-Q19 VanDerWaalsContact O-N 3.16Å; Q19-R40 PolarHBondContact O-N 3.42Å
20Y96.3Very high90.1Very high17 Ų1772.7 Ų72.77%0.06741%0.411CS..EExtended strand (participates in β ladder)trans-125.5130.8-171.6-56.8-83000111.2V16 V37 A38 H39 M46 L48 V83 F85V16-Y20 HydrophobicContact CG1-CD2 4.21Å; V16-Y20 PolarHBondContact O-N 3.48Å; Y20-V37 HydrophobicContact CD1-CG2 3.73Å; Y20-V37 HydrophobicContact CG-CG2 4.26Å; Y20-A38 WeakPolarHBondContact CA-O 3.38Å; Y20-H39 HydrophobicContact CE1-CB 4.48Å; Y20-H39 AromaticContact CE1-CD2 3.6Å; Y20-M46 HydrophobicContact CD1-SD 4.33Å; Y20-M46 HydrophobicContact CE1-SD 3.76Å; Y20-L48 HydrophobicContact CD1-CD1 4.23Å; Y20-L48 HydrophobicContact CD2-CD1 4.27Å; Y20-L48 HydrophobicContact CG-CD1 4.07Å; Y20-V83 WeakPolarHBondContact OH-CG1 3.5Å; Y20-F85 HydrophobicContact CE2-CE1 4.13Å
21E96.7Very high89.8Confident97 Ų9773.7 Ų73.745%0.45340%0.402SS..EExtended strand (participates in β ladder)trans-86.6115.6167.3-177.6-178-175.700108.9I23 V37 A38 R40E21-I23 PolarHBondContact O-N 3.17Å; E21-V37 CarbonylContact O-C 3.55Å; E21-V37 WeakPolarHBondContact O-CA 3.3Å; E21-V37 WeakPolarHBondContact O-CB 3.24Å; E21-A38 HydrophobicContact CB-CB 4.5Å; E21-A38 PolarHBondContact N-O 3.18Å; E21-A38 PolarHBondContact O-N 3.38Å; E21-R40 HydrophobicContact CB-CG 4.17Å
22H96.9Very high90Very high104 Ų10473.4 Ų73.448%0.48141%0.405SS..EExtended strand (participates in β ladder)trans-71.6126174.2174.2-87.2000110.6D35H22-D35 IonicContact CD2-OD2 3.18Å; H22-D35 IonicContact NE2-OD1 3.77Å; H22-D35 IonicContact NE2-OD2 3.68Å
23I97.5Very high90.5Very high70 Ų7074.3 Ų74.336%0.35940%0.402SS..EExtended strand (participates in β ladder)trans-99.9-56.8179.6-60.3171.2000110.2E21 L36 A38 K45E21-I23 PolarHBondContact O-N 3.17Å; I23-L36 HydrophobicContact CB-CB 4.44Å; I23-L36 HydrophobicContact CB-CD2 4.26Å; I23-L36 HydrophobicContact CB-CG 4.04Å; I23-L36 WeakPolarHBondContact CB-O 3.2Å; I23-L36 HydrophobicContact CD1-CD2 4.37Å; I23-L36 HydrophobicContact CD1-CG 4.03Å; I23-L36 HydrophobicContact CG2-CD2 4.03Å; I23-L36 HydrophobicContact CG2-CG 4.37Å; I23-L36 PolarHBondContact N-O 2.93Å; I23-A38 HydrophobicContact CD1-CB 4.02Å; I23-K45 HydrophobicContact CD1-CD 4.37Å; I23-K45 HydrophobicContact CD1-CG 4.19Å
24R97.3Very high91.3Very high113 Ų11372.1 Ų72.143%0.42638%0.38SS..EExtended strand (participates in β ladder)trans-166.1158.5179.664.1-177.5-176.290.8-1.8111.8L26 L36 Y97R24-L26 VanDerWaalsContact NH1-CD2 3.32Å; R24-L26 VanDerWaalsContact NH2-CD2 3.34Å; R24-L36 HydrophobicContact CG-CB 4.07Å; R24-L36 HydrophobicContact CG-CD2 4.17Å; R24-L36 PolarHBondContact N-O 3.22Å; R24-L36 WeakPolarHBondContact O-CB 3.47Å; R24-L36 PolarHBondContact O-N 3.35Å; R24-Y97 PolarHBondContact NH2-OH 3.37Å
25E97.1Very high92Very high96 Ų9669.6 Ų69.645%0.44936%0.359SS..EExtended strand (participates in β ladder)trans-67.6135.1165.8-168.6174102.300109.7
26L95.4Very high92.5Very high58 Ų5867.3 Ų67.330%0.30435%0.346SS..EExtended strand (participates in β ladder)trans-94.4-34.4172.4-65.2-177.7000111.6R24 V34 L36 A47 Y97R24-L26 VanDerWaalsContact NH1-CD2 3.32Å; R24-L26 VanDerWaalsContact NH2-CD2 3.34Å; L26-V34 WeakPolarHBondContact CA-O 3.2Å; L26-V34 HydrophobicContact CB-CB 4.32Å; L26-V34 HydrophobicContact CB-CG1 4.21Å; L26-V34 WeakPolarHBondContact CB-O 3.44Å; L26-V34 HydrophobicContact CD1-CG1 4.15Å; L26-V34 PolarHBondContact N-O 3.27Å; L26-L36 HydrophobicContact CD1-CB 4.02Å; L26-L36 HydrophobicContact CD2-CB 3.76Å; L26-L36 HydrophobicContact CD2-CD2 4.49Å; L26-L36 HydrophobicContact CG-CB 3.79Å; L26-A47 HydrophobicContact CD1-CB 3.85Å; L26-Y97 HydrophobicContact CD1-CD2 3.86Å; L26-Y97 HydrophobicContact CD1-CE2 3.98Å; L26-Y97 HydrophobicContact CD2-CD2 4.49Å; L26-Y97 HydrophobicContact CD2-CE2 3.78Å
27G91.6Very high92.9Very high30 Ų3066.7 Ų66.731%0.30934%0.343SS..EExtended strand (participates in β ladder)trans-176.3161.8176.800000112.8K33 V34G27-K33 CarbonylContact O-C 3.51Å; G27-K33 WeakPolarHBondContact O-CA 3.42Å; G27-V34 PolarHBondContact N-O 3.29Å; G27-V34 PolarHBondContact O-N 3.13Å
28K90.6Very high93.3Very high168 Ų16864.5 Ų64.573%0.7333%0.325SS*.EExtended strand (participates in β ladder)trans-138.9133.6178.7-176.6177.2180179.60109.6K33K28-K33 HydrophobicContact CB-CB 4.43Å; K28-K33 HydrophobicContact CG-CB 4.41Å
29G81Confident93.4Very high48 Ų4859.2 Ų59.250%0.49530%0.302SS..EExtended strand (participates in β ladder)trans-140.2-172.3-179.100000112.6Y31 G32G29-Y31 PolarHBondContact O-N 2.87Å; G29-Y31 VanDerWaalsContact O-N 3.14Å; G29-G32 PolarHBondContact N-O 2.98Å; G29-G32 PolarHBondContact O-N 2.88Å; G29-G32 VanDerWaalsContact O-O 3.11Å
30T77.7Confident93.3Very high77 Ų7762.2 Ų62.247%0.47231%0.31SS..THydrogen-bonded Turntrans-56.7-35.1-174.6-44.40000113.3K55T30-K55 WeakPolarHBondContact O-CD 3.49Å; T30-K55 PolarHBondContact O-NZ 2.68Å
31Y81.6Confident93Very high110 Ų11067.2 Ų67.243%0.43134%0.343SS..THydrogen-bonded Turntrans-99.3-3.4-171.9-58.9-74.6000114.3G29 V51 T52 V175G29-Y31 PolarHBondContact O-N 2.87Å; G29-Y31 VanDerWaalsContact O-N 3.14Å; Y31-V51 WeakPolarHBondContact O-CA 3.33Å; Y31-T52 PolarHBondContact O-N 3.3Å; Y31-V175 WeakPolarHBondContact OH-CG1 3.48Å
32G91Very high92.7Very high18 Ų1868.8 Ų68.819%0.18635%0.35CS..EExtended strand (participates in β ladder)trans147.6-150.7178.900000113.3G29 F50G29-G32 PolarHBondContact N-O 2.98Å; G29-G32 PolarHBondContact O-N 2.88Å; G29-G32 VanDerWaalsContact O-O 3.11Å; G32-F50 CarbonylContact C-O 3.54Å; G32-F50 VanDerWaalsContact CA-O 3.26Å; G32-F50 WeakPolarHBondContact CA-O 2.99Å
33K95.1Very high92.4Very high74 Ų7466.5 Ų66.532%0.32235%0.354SS..EExtended strand (participates in β ladder)trans-137.2161.3-174.764.5168.1-177.9152.40112.1G27 K28 D35 F50G27-K33 CarbonylContact O-C 3.51Å; G27-K33 WeakPolarHBondContact O-CA 3.42Å; K28-K33 HydrophobicContact CB-CB 4.43Å; K28-K33 HydrophobicContact CG-CB 4.41Å; K33-D35 WeakPolarHBondContact CE-OD2 3.18Å; K33-D35 IonicContact NZ-OD1 3.2Å; K33-D35 IonicContact NZ-OD2 2.74Å; K33-D35 PolarHBondContact NZ-OD2 3.46Å; K33-F50 HydrophobicContact CG-CB 3.96Å; K33-F50 HydrophobicContact CG-CD2 4.22Å; K33-F50 HydrophobicContact CG-CG 4.35Å; K33-F50 PolarHBondContact N-O 2.99Å; K33-F50 PolarHBondContact O-N 3.36Å
34V97.1Very high92.2Very high35 Ų3566.5 Ų66.521%0.21236%0.357CS..EExtended strand (participates in β ladder)trans-124122.7174.8-172.90000108L26 G27 A47 L48 K49L26-V34 WeakPolarHBondContact CA-O 3.2Å; L26-V34 HydrophobicContact CB-CB 4.32Å; L26-V34 HydrophobicContact CB-CG1 4.21Å; L26-V34 WeakPolarHBondContact CB-O 3.44Å; L26-V34 HydrophobicContact CD1-CG1 4.15Å; L26-V34 PolarHBondContact N-O 3.27Å; G27-V34 PolarHBondContact N-O 3.29Å; G27-V34 PolarHBondContact O-N 3.13Å; V34-A47 HydrophobicContact CG1-CB 3.86Å; V34-L48 WeakPolarHBondContact CA-O 3.15Å; V34-K49 HydrophobicContact CG2-CB 4.28Å; V34-K49 HydrophobicContact CG2-CG 4.06Å
35D97.8Very high92.2Very high5 Ų566.9 Ų66.93%0.02736%0.362CS..EExtended strand (participates in β ladder)trans-111.4140.6178.5-65.8-20.8000110.7H22 K33 V37 A47 L48 F50H22-D35 IonicContact CD2-OD2 3.18Å; H22-D35 IonicContact NE2-OD1 3.77Å; H22-D35 IonicContact NE2-OD2 3.68Å; K33-D35 WeakPolarHBondContact CE-OD2 3.18Å; K33-D35 IonicContact NZ-OD1 3.2Å; K33-D35 IonicContact NZ-OD2 2.74Å; K33-D35 PolarHBondContact NZ-OD2 3.46Å; D35-V37 HydrophobicContact CB-CG1 4.28Å; D35-A47 CarbonylContact O-C 3.54Å; D35-A47 WeakPolarHBondContact O-CA 3.37Å; D35-L48 PolarHBondContact N-O 2.75Å; D35-L48 PolarHBondContact O-N 3.4Å; D35-F50 HydrophobicContact CB-CE2 4.11Å
36L98.3Very high92.2Very high4 Ų462.7 Ų62.72%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-80.5124.1164.8176.958.5000108.5I23 R24 L26 K45 Y97I23-L36 HydrophobicContact CB-CB 4.44Å; I23-L36 HydrophobicContact CB-CD2 4.26Å; I23-L36 HydrophobicContact CB-CG 4.04Å; I23-L36 WeakPolarHBondContact CB-O 3.2Å; I23-L36 HydrophobicContact CD1-CD2 4.37Å; I23-L36 HydrophobicContact CD1-CG 4.03Å; I23-L36 HydrophobicContact CG2-CD2 4.03Å; I23-L36 HydrophobicContact CG2-CG 4.37Å; I23-L36 PolarHBondContact N-O 2.93Å; R24-L36 HydrophobicContact CG-CB 4.07Å; R24-L36 HydrophobicContact CG-CD2 4.17Å; R24-L36 PolarHBondContact N-O 3.22Å; R24-L36 WeakPolarHBondContact O-CB 3.47Å; R24-L36 PolarHBondContact O-N 3.35Å; L26-L36 HydrophobicContact CD1-CB 4.02Å; L26-L36 HydrophobicContact CD2-CB 3.76Å; L26-L36 HydrophobicContact CD2-CD2 4.49Å; L26-L36 HydrophobicContact CG-CB 3.79Å; L36-K45 HydrophobicContact CD1-CB 4.14Å; L36-Y97 HydrophobicContact CD1-CD1 3.81Å; L36-Y97 HydrophobicContact CD1-CD2 3.6Å; L36-Y97 HydrophobicContact CD1-CE1 4.04Å; L36-Y97 HydrophobicContact CD1-CE2 3.85Å; L36-Y97 HydrophobicContact CD1-CG 3.57Å; L36-Y97 HydrophobicContact CD2-CE1 4.05Å; L36-Y97 HydrophobicContact CD2-CE2 3.96Å; L36-Y97 HydrophobicContact CG-CE2 4.38Å
37V98.1Very high92.3Very high5 Ų560.2 Ų60.23%0.0333%0.331CS..EExtended strand (participates in β ladder)trans-130161.4176.3-51.20000111Y20 E21 D35 K45 M46 L48Y20-V37 HydrophobicContact CD1-CG2 3.73Å; Y20-V37 HydrophobicContact CG-CG2 4.26Å; E21-V37 CarbonylContact O-C 3.55Å; E21-V37 WeakPolarHBondContact O-CA 3.3Å; E21-V37 WeakPolarHBondContact O-CB 3.24Å; D35-V37 HydrophobicContact CB-CG1 4.28Å; V37-K45 VanDerWaalsContact O-CA 3.3Å; V37-K45 WeakPolarHBondContact O-CA 3.16Å; V37-M46 HydrophobicContact CG2-CG 3.54Å; V37-M46 HydrophobicContact CG2-SD 4.42Å; V37-M46 PolarHBondContact N-O 2.62Å; V37-M46 PolarHBondContact O-N 3.42Å; V37-L48 HydrophobicContact CB-CD1 4.43Å; V37-L48 HydrophobicContact CG1-CD1 3.91Å; V37-L48 HydrophobicContact CG1-CG 4.16Å; V37-L48 HydrophobicContact CG2-CD1 3.75Å; V37-L48 HydrophobicContact CG2-CD2 4.42Å; V37-L48 HydrophobicContact CG2-CG 3.62Å
38A97.1Very high92.6Very high9 Ų958.8 Ų58.87%0.07432%0.316CS..EExtended strand (participates in β ladder)trans-112132.4163.200000110Y20 E21 I23 R40 T44Y20-A38 WeakPolarHBondContact CA-O 3.38Å; E21-A38 HydrophobicContact CB-CB 4.5Å; E21-A38 PolarHBondContact N-O 3.18Å; E21-A38 PolarHBondContact O-N 3.38Å; I23-A38 HydrophobicContact CD1-CB 4.02Å; A38-R40 PolarHBondContact O-N 2.98Å; A38-T44 WeakPolarHBondContact CA-O 3.48Å
39H93.6Very high92.9Very high32 Ų3252 Ų5215%0.14829%0.286CS..EExtended strand (participates in β ladder)trans-66.6119170.8-170.1-83.1000109.1Y20 T41 Q42 G43 T44 M46Y20-H39 HydrophobicContact CE1-CB 4.48Å; Y20-H39 AromaticContact CE1-CD2 3.6Å; H39-T41 VanDerWaalsContact C-N 3.29Å; H39-T41 PolarHBondContact CE1-OG1 2.93Å; H39-T41 PolarHBondContact ND1-OG1 2.95Å; H39-T41 PolarHBondContact O-N 2.93Å; H39-Q42 HydrophobicContact CB-CB 4.23Å; H39-Q42 PolarHBondContact O-N 2.89Å; H39-Q42 VanDerWaalsContact O-N 3.15Å; H39-G43 WeakPolarHBondContact O-CA 3.32Å; H39-G43 PolarHBondContact O-N 2.88Å; H39-T44 PolarHBondContact N-O 3.35Å; H39-M46 HydrophobicContact CB-CE 4.24Å
40R92.3Very high93.6Very high137 Ų13750.9 Ų50.952%0.51727%0.268SS..THydrogen-bonded Turntrans-59.9-36-167.3-74-171.1178.1-81.92.8113.9A17 K18 Q19 E21 A38A17-R40 PolarHBondContact O-NE 3.47Å; A17-R40 PolarHBondContact O-NH2 2.99Å; K18-R40 WeakPolarHBondContact O-CD 3.45Å; Q19-R40 PolarHBondContact O-N 3.42Å; E21-R40 HydrophobicContact CB-CG 4.17Å; A38-R40 PolarHBondContact O-N 2.98Å
41T89.6Confident94.5Very high122 Ų12247.4 Ų47.475%0.74825%0.247SC*.THydrogen-bonded Turntrans-83.8-27.1-179.965.30000113.7H39H39-T41 VanDerWaalsContact C-N 3.29Å; H39-T41 PolarHBondContact CE1-OG1 2.93Å; H39-T41 PolarHBondContact ND1-OG1 2.95Å; H39-T41 PolarHBondContact O-N 2.93Å
42Q89.5Confident95.2Very high130 Ų13043.8 Ų43.861%0.60724%0.236SC*.THydrogen-bonded Turntrans-102.8-15.1-173.8-63.8178.411.100112.5H39 T44H39-Q42 HydrophobicContact CB-CB 4.23Å; H39-Q42 PolarHBondContact O-N 2.89Å; H39-Q42 VanDerWaalsContact O-N 3.15Å; Q42-T44 PolarHBondContact O-N 2.84Å
43G90.5Very high95.3Very high55 Ų5545.8 Ų45.857%0.56724%0.24SC*.  trans641-171.300000114.7H39 K45H39-G43 WeakPolarHBondContact O-CA 3.32Å; H39-G43 PolarHBondContact O-N 2.88Å; G43-K45 PolarHBondContact O-N 3.18Å
44T93.2Very high95.3Very high70 Ų7048.4 Ų48.443%0.42926%0.258SS..  trans-74.6125.4-173.4-63.60000110.3A38 H39 Q42A38-T44 WeakPolarHBondContact CA-O 3.48Å; H39-T44 PolarHBondContact N-O 3.35Å; Q42-T44 PolarHBondContact O-N 2.84Å
45K97.1Very high94.9Very high121 Ų12152.8 Ų52.853%0.52627%0.274SS..EExtended strand (participates in β ladder)trans-78.5136.4176.4-70.6-179.7-177.4173.70111.1I23 L36 V37 G43 Y97I23-K45 HydrophobicContact CD1-CD 4.37Å; I23-K45 HydrophobicContact CD1-CG 4.19Å; L36-K45 HydrophobicContact CD1-CB 4.14Å; V37-K45 VanDerWaalsContact O-CA 3.3Å; V37-K45 WeakPolarHBondContact O-CA 3.16Å; G43-K45 PolarHBondContact O-N 3.18Å; K45-Y97 HydrophobicContact CB-CD1 4.29Å
46M97.6Very high94.7Very high8 Ų853.3 Ų53.34%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-148.2161.9177.561.2-174.564.300111.5Y20 V37 H39 L48 L81 V83 Q95Y20-M46 HydrophobicContact CD1-SD 4.33Å; Y20-M46 HydrophobicContact CE1-SD 3.76Å; V37-M46 HydrophobicContact CG2-CG 3.54Å; V37-M46 HydrophobicContact CG2-SD 4.42Å; V37-M46 PolarHBondContact N-O 2.62Å; V37-M46 PolarHBondContact O-N 3.42Å; H39-M46 HydrophobicContact CB-CE 4.24Å; M46-L48 HydrophobicContact CG-CD2 4.4Å; M46-L48 HydrophobicContact SD-CD2 4.12Å; M46-L81 HydrophobicContact CB-CD1 3.59Å; M46-L81 HydrophobicContact CE-CD1 3.95Å; M46-L81 HydrophobicContact CG-CD1 4.48Å; M46-L81 HydrophobicContact SD-CD1 4.17Å; M46-V83 HydrophobicContact CE-CG2 4.47Å; M46-V83 HydrophobicContact SD-CG2 4.02Å; M46-Q95 WeakPolarHBondContact CB-O 3.46Å
47A98.1Very high94.5Very high7 Ų761.2 Ų61.26%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-96.1120.8171.100000109.1L26 V34 D35 G94 Q95L26-A47 HydrophobicContact CD1-CB 3.85Å; V34-A47 HydrophobicContact CG1-CB 3.86Å; D35-A47 CarbonylContact O-C 3.54Å; D35-A47 WeakPolarHBondContact O-CA 3.37Å; A47-G94 CarbonylContact O-C 3.46Å; A47-G94 WeakPolarHBondContact O-CA 3.38Å; A47-Q95 HydrophobicContact CB-CB 4.49Å; A47-Q95 PolarHBondContact N-O 2.93Å; A47-Q95 PolarHBondContact O-N 2.84Å
48L97.6Very high94.2Very high0 Ų063.8 Ų63.80%033%0.325CS..EExtended strand (participates in β ladder)trans-95.6116.3170-66.7-173.8000109.2Y20 V34 D35 V37 M46 F50 V83 F85 V92Y20-L48 HydrophobicContact CD1-CD1 4.23Å; Y20-L48 HydrophobicContact CD2-CD1 4.27Å; Y20-L48 HydrophobicContact CG-CD1 4.07Å; V34-L48 WeakPolarHBondContact CA-O 3.15Å; D35-L48 PolarHBondContact N-O 2.75Å; D35-L48 PolarHBondContact O-N 3.4Å; V37-L48 HydrophobicContact CB-CD1 4.43Å; V37-L48 HydrophobicContact CG1-CD1 3.91Å; V37-L48 HydrophobicContact CG1-CG 4.16Å; V37-L48 HydrophobicContact CG2-CD1 3.75Å; V37-L48 HydrophobicContact CG2-CD2 4.42Å; V37-L48 HydrophobicContact CG2-CG 3.62Å; M46-L48 HydrophobicContact CG-CD2 4.4Å; M46-L48 HydrophobicContact SD-CD2 4.12Å; L48-F50 HydrophobicContact CB-CD2 4.28Å; L48-F50 HydrophobicContact CB-CE2 3.61Å; L48-F50 HydrophobicContact CB-CZ 4.18Å; L48-F50 HydrophobicContact CD1-CE2 4.43Å; L48-F50 HydrophobicContact CD1-CZ 4.22Å; L48-F50 WeakPolarHBondContact O-CD2 3.32Å; L48-V83 HydrophobicContact CD2-CG1 3.85Å; L48-F85 HydrophobicContact CD1-CZ 4.24Å; L48-V92 HydrophobicContact CB-CG1 4.1Å
49K96.8Very high94Very high24 Ų2469.7 Ų69.710%0.10435%0.348CS..EExtended strand (participates in β ladder)trans-91.4108.5175.6-176167.9-175.2178.50109.3V34 V51 E64 V92 F93 D161V34-K49 HydrophobicContact CG2-CB 4.28Å; V34-K49 HydrophobicContact CG2-CG 4.06Å; K49-V51 HydrophobicContact CD-CG2 4.49Å; K49-V51 HydrophobicContact CG-CG2 3.99Å; K49-E64 WeakPolarHBondContact CE-OE1 3.42Å; K49-E64 IonicContact NZ-OE1 3.39Å; K49-E64 PolarHBondContact NZ-OE1 2.96Å; K49-V92 WeakPolarHBondContact O-CA 3.35Å; K49-F93 HydrophobicContact CB-CD1 4.37Å; K49-F93 HydrophobicContact CB-CE1 4.07Å; K49-F93 HydrophobicContact CB-CZ 4.29Å; K49-F93 HydrophobicContact CD-CE1 3.85Å; K49-F93 HydrophobicContact CD-CZ 3.75Å; K49-F93 HydrophobicContact CG-CE1 4.1Å; K49-F93 HydrophobicContact CG-CZ 4.39Å; K49-F93 PolarHBondContact N-O 2.94Å; K49-F93 PolarHBondContact O-N 2.82Å; K49-D161 IonicContact NZ-OD1 3.87Å; K49-D161 PolarHBondContact NZ-OD1 2.82Å; K49-D161 IonicContact NZ-OD2 3.19Å
50F96.7Very high93.9Very high25 Ų2570.1 Ų70.111%0.1136%0.355CS..EExtended strand (participates in β ladder)trans-89.8117.6174.3-63.5-100.2000109.1G32 K33 D35 L48 V92G32-F50 CarbonylContact C-O 3.54Å; G32-F50 VanDerWaalsContact CA-O 3.26Å; G32-F50 WeakPolarHBondContact CA-O 2.99Å; K33-F50 HydrophobicContact CG-CB 3.96Å; K33-F50 HydrophobicContact CG-CD2 4.22Å; K33-F50 HydrophobicContact CG-CG 4.35Å; K33-F50 PolarHBondContact N-O 2.99Å; K33-F50 PolarHBondContact O-N 3.36Å; D35-F50 HydrophobicContact CB-CE2 4.11Å; L48-F50 HydrophobicContact CB-CD2 4.28Å; L48-F50 HydrophobicContact CB-CE2 3.61Å; L48-F50 HydrophobicContact CB-CZ 4.18Å; L48-F50 HydrophobicContact CD1-CE2 4.43Å; L48-F50 HydrophobicContact CD1-CZ 4.22Å; L48-F50 WeakPolarHBondContact O-CD2 3.32Å; F50-V92 HydrophobicContact CD1-CB 4.44Å; F50-V92 HydrophobicContact CD1-CG1 4.15Å; F50-V92 HydrophobicContact CD1-CG2 3.4Å; F50-V92 HydrophobicContact CE1-CG1 4.1Å; F50-V92 HydrophobicContact CE1-CG2 3.71Å; F50-V92 HydrophobicContact CE2-CG1 4.46Å; F50-V92 HydrophobicContact CG-CG1 4.35Å; F50-V92 HydrophobicContact CG-CG2 4.12Å; F50-V92 HydrophobicContact CZ-CG1 4.25Å
51V95.9Very high94Very high4 Ų463.6 Ų63.62%0.02433%0.33CS..EExtended strand (participates in β ladder)trans-112.6117.9-179.5-175.80000109.4Y31 K49 T56 F61 S90 Y91 F93Y31-V51 WeakPolarHBondContact O-CA 3.33Å; K49-V51 HydrophobicContact CD-CG2 4.49Å; K49-V51 HydrophobicContact CG-CG2 3.99Å; V51-T56 HydrophobicContact CG1-CG2 3.73Å; V51-T56 WeakPolarHBondContact CG1-OG1 3.49Å; V51-F61 HydrophobicContact CB-CD2 3.97Å; V51-F61 HydrophobicContact CB-CE2 4.35Å; V51-F61 HydrophobicContact CG1-CD2 4.41Å; V51-F61 HydrophobicContact CG2-CD2 3.98Å; V51-F61 HydrophobicContact CG2-CE2 4.16Å; V51-S90 CarbonylContact O-C 3.53Å; V51-S90 VanDerWaalsContact O-CA 3.29Å; V51-S90 WeakPolarHBondContact O-CA 3.3Å; V51-Y91 PolarHBondContact N-O 2.95Å; V51-Y91 PolarHBondContact O-N 3.46Å; V51-F93 HydrophobicContact CG2-CE1 4.49Å
52T95.2Very high94.3Very high35 Ų3558.1 Ų58.122%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-70.8132.7-170.8-40.90000112.4Y31 N54 K55 T56Y31-T52 PolarHBondContact O-N 3.3Å; T52-N54 VanDerWaalsContact C-N 3.3Å; T52-N54 WeakPolarHBondContact CB-OD1 3.46Å; T52-N54 HydrophobicContact CG2-CB 4.41Å; T52-N54 VanDerWaalsContact CG2-CG 3.44Å; T52-N54 WeakPolarHBondContact CG2-OD1 3.35Å; T52-N54 PolarHBondContact O-N 3.09Å; T52-K55 PolarHBondContact O-N 3.07Å; T52-T56 WeakPolarHBondContact O-CB 3.47Å; T52-T56 PolarHBondContact O-N 3.01Å; T52-T56 VanDerWaalsContact O-N 3.11Å
53K95.1Very high94.5Very high60 Ų6054.8 Ų54.826%0.26128%0.278SS..THydrogen-bonded Turntrans-66.5-28.5-178.5-64.4-172.1-174.1177.60113.4K55 E86 T87 E88 D89 Y91K53-K55 VanDerWaalsContact C-N 3.27Å; K53-K55 PolarHBondContact O-N 2.98Å; K53-E86 WeakPolarHBondContact CE-OE2 3.31Å; K53-E86 IonicContact NZ-OE2 3.99Å; K53-E86 PolarHBondContact NZ-OE2 3.48Å; K53-T87 WeakPolarHBondContact CE-O 3.41Å; K53-T87 PolarHBondContact NZ-O 2.97Å; K53-E88 PolarHBondContact NZ-O 2.86Å; K53-D89 PolarHBondContact N-O 3.26Å; K53-Y91 HydrophobicContact CB-CE2 4.26Å; K53-Y91 HydrophobicContact CD-CE1 4.09Å; K53-Y91 HydrophobicContact CD-CE2 4.39Å; K53-Y91 HydrophobicContact CG-CD1 4.45Å; K53-Y91 HydrophobicContact CG-CD2 3.97Å; K53-Y91 HydrophobicContact CG-CE1 4.15Å; K53-Y91 HydrophobicContact CG-CE2 3.64Å; K53-Y91 HydrophobicContact CG-CG 4.35Å
54N93.4Very high94.7Very high129 Ų12952.8 Ų52.869%0.6926%0.255SS*.THydrogen-bonded Turntrans-65.8-26.9179.865.73.2000113.8T52T52-N54 VanDerWaalsContact C-N 3.3Å; T52-N54 WeakPolarHBondContact CB-OD1 3.46Å; T52-N54 HydrophobicContact CG2-CB 4.41Å; T52-N54 VanDerWaalsContact CG2-CG 3.44Å; T52-N54 WeakPolarHBondContact CG2-OD1 3.35Å; T52-N54 PolarHBondContact O-N 3.09Å
55K90.4Very high94.8Very high127 Ų12750.7 Ų50.755%0.55224%0.239SC*.THydrogen-bonded Turntrans-110.9-18.6-177-74.1170179.2178.50112.7T30 T52 K53T30-K55 WeakPolarHBondContact O-CD 3.49Å; T30-K55 PolarHBondContact O-NZ 2.68Å; T52-K55 PolarHBondContact O-N 3.07Å; K53-K55 VanDerWaalsContact C-N 3.27Å; K53-K55 PolarHBondContact O-N 2.98Å
56T92.4Very high94.7Very high15 Ų1546.5 Ų46.59%0.09223%0.225CC..  trans-126.1119.3-173.4-55.80000111V51 T52 F61 Y91V51-T56 HydrophobicContact CG1-CG2 3.73Å; V51-T56 WeakPolarHBondContact CG1-OG1 3.49Å; T52-T56 WeakPolarHBondContact O-CB 3.47Å; T52-T56 PolarHBondContact O-N 3.01Å; T52-T56 VanDerWaalsContact O-N 3.11Å; T56-F61 HydrophobicContact CG2-CB 4.09Å; T56-Y91 WeakPolarHBondContact O-CE2 3.33Å
57K93.5Very high94.6Very high170 Ų17047.6 Ų47.674%0.73923%0.231SC*.  trans-68.5144.2170.7-60.4-173.3178.7-172.40110.2K59 S60 F61K57-K59 PolarHBondContact O-N 3.44Å; K57-K59 VanDerWaalsContact O-N 3.13Å; K57-S60 WeakPolarHBondContact O-CA 3.49Å; K57-S60 WeakPolarHBondContact O-CB 3.45Å; K57-S60 PolarHBondContact O-N 3.21Å; K57-F61 PolarHBondContact O-N 3.18Å
58L92.8Very high94.4Very high60 Ų6047.3 Ų47.331%0.31423%0.228SC..Hα-helixtrans-47.8-44.8177178.159.1000112.7I8 S60 F61 L62 Y91I8-L58 HydrophobicContact CD1-CD1 3.6Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 2.6Å; L58-F61 HydrophobicContact CD1-CD1 4.3Å; L58-F61 WeakPolarHBondContact O-CB 3.31Å; L58-F61 PolarHBondContact O-N 3.17Å; L58-L62 HydrophobicContact CD1-CD1 3.93Å; L58-L62 HydrophobicContact CD1-CG 3.87Å; L58-L62 HydrophobicContact CD2-CD1 4.44Å; L58-L62 HydrophobicContact CG-CD1 3.89Å; L58-L62 HydrophobicContact CG-CG 4.26Å; L58-L62 WeakPolarHBondContact O-CB 3.39Å; L58-L62 PolarHBondContact O-N 3.48Å; L58-Y91 HydrophobicContact CB-CE1 4.35Å; L58-Y91 HydrophobicContact CB-CE2 4.35Å; L58-Y91 HydrophobicContact CD1-CD1 3.99Å; L58-Y91 HydrophobicContact CD1-CE1 3.62Å; L58-Y91 HydrophobicContact CG-CE1 4.49Å
59K92.1Very high94.4Very high132 Ų13249 Ų4957%0.57425%0.246SC*.Hα-helixtrans-58.8-37.4177.5-175.9169.5-173.91630113.6E1 K57 R63E1-K59 WeakPolarHBondContact OE2-CE 3.48Å; E1-K59 IonicContact OE2-NZ 2.84Å; K57-K59 PolarHBondContact O-N 3.44Å; K57-K59 VanDerWaalsContact O-N 3.13Å; K59-R63 VanDerWaalsContact O-CB 3.31Å; K59-R63 WeakPolarHBondContact O-CB 3.34Å; K59-R63 PolarHBondContact O-N 2.95Å; K59-R63 VanDerWaalsContact O-N 3.09Å
60S92.8Very high94.3Very high41 Ų4151 Ų5129%0.28726%0.263SS..Hα-helixtrans-70.9-39.7177.5-780000111.8K57 L58 R63 E64K57-S60 WeakPolarHBondContact O-CA 3.49Å; K57-S60 WeakPolarHBondContact O-CB 3.45Å; K57-S60 PolarHBondContact O-N 3.21Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 2.6Å; S60-R63 PolarHBondContact OG-NH2 3Å; S60-R63 VanDerWaalsContact OG-NH2 3.12Å; S60-E64 PolarHBondContact O-N 2.69Å
61F94.7Very high94.3Very high0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-63.5-52.8175.1168.4-97.5000111.8I8 V51 T56 K57 L58 R63 E64 F65 L84 Y91 F93I8-F61 HydrophobicContact CD1-CE1 4.43Å; V51-F61 HydrophobicContact CB-CD2 3.97Å; V51-F61 HydrophobicContact CB-CE2 4.35Å; V51-F61 HydrophobicContact CG1-CD2 4.41Å; V51-F61 HydrophobicContact CG2-CD2 3.98Å; V51-F61 HydrophobicContact CG2-CE2 4.16Å; T56-F61 HydrophobicContact CG2-CB 4.09Å; K57-F61 PolarHBondContact O-N 3.18Å; L58-F61 HydrophobicContact CD1-CD1 4.3Å; L58-F61 WeakPolarHBondContact O-CB 3.31Å; L58-F61 PolarHBondContact O-N 3.17Å; F61-R63 PolarHBondContact O-N 3.29Å; F61-E64 WeakPolarHBondContact O-CB 3.42Å; F61-E64 PolarHBondContact O-N 2.87Å; F61-F65 PolarHBondContact O-N 2.73Å; F61-L84 HydrophobicContact CE1-CD1 3.63Å; F61-L84 HydrophobicContact CZ-CD1 3.67Å; F61-Y91 HydrophobicContact CB-CD2 3.98Å; F61-Y91 HydrophobicContact CB-CG 4.37Å; F61-Y91 HydrophobicContact CD1-CD1 4.42Å; F61-Y91 HydrophobicContact CD1-CD2 4.38Å; F61-Y91 AromaticContact CD1-CG 3.92Å; F61-Y91 HydrophobicContact CD1-CG 3.92Å; F61-Y91 VanDerWaalsContact CD2-CB 3.43Å; F61-Y91 HydrophobicContact CD2-CD2 4.4Å; F61-Y91 HydrophobicContact CD2-CG 4.23Å; F61-Y91 HydrophobicContact CE1-CG 4.25Å; F61-Y91 HydrophobicContact CE2-CG 4.49Å; F61-Y91 HydrophobicContact CG-CD2 4.01Å; F61-Y91 AromaticContact CG-CG 3.91Å; F61-Y91 HydrophobicContact CG-CG 3.91Å; F61-Y91 VanDerWaalsContact CZ-CB 3.45Å; F61-F93 HydrophobicContact CD2-CD1 4.4Å; F61-F93 AromaticContact CE2-CD1 3.47Å; F61-F93 HydrophobicContact CE2-CD1 3.47Å; F61-F93 VanDerWaalsContact CE2-CD1 3.47Å; F61-F93 AromaticContact CE2-CE1 3.99Å; F61-F93 HydrophobicContact CE2-CE1 3.99Å; F61-F93 HydrophobicContact CZ-CB 4.33Å; F61-F93 AromaticContact CZ-CD1 3.85Å; F61-F93 HydrophobicContact CZ-CD1 3.85Å
62L94.1Very high94.3Very high8 Ų851 Ų514%0.04227%0.266CS..Hα-helixtrans-59-37.5178.2-76.7177.8000111.9Q4 A5 I8 L58 F65 S66Q4-L62 HydrophobicContact CB-CD2 4.26Å; A5-L62 HydrophobicContact CB-CD1 4.12Å; I8-L62 HydrophobicContact CD1-CD2 3.9Å; I8-L62 HydrophobicContact CD1-CG 4.47Å; L58-L62 HydrophobicContact CD1-CD1 3.93Å; L58-L62 HydrophobicContact CD1-CG 3.87Å; L58-L62 HydrophobicContact CD2-CD1 4.44Å; L58-L62 HydrophobicContact CG-CD1 3.89Å; L58-L62 HydrophobicContact CG-CG 4.26Å; L58-L62 WeakPolarHBondContact O-CB 3.39Å; L58-L62 PolarHBondContact O-N 3.48Å; L62-F65 PolarHBondContact O-N 3.48Å; L62-S66 VanDerWaalsContact O-CB 3.26Å; L62-S66 WeakPolarHBondContact O-CB 3.18Å; L62-S66 PolarHBondContact O-N 3.41Å; L62-S66 PolarHBondContact O-OG 3.45Å
63R94.3Very high94.3Very high59 Ų5954.1 Ų54.122%0.22329%0.288CS..Hα-helixtrans-60.5-45.8173.9-179.4-176.961.3-121.3-17.3111.6K59 S60 F61 L67K59-R63 VanDerWaalsContact O-CB 3.31Å; K59-R63 WeakPolarHBondContact O-CB 3.34Å; K59-R63 PolarHBondContact O-N 2.95Å; K59-R63 VanDerWaalsContact O-N 3.09Å; S60-R63 PolarHBondContact OG-NH2 3Å; S60-R63 VanDerWaalsContact OG-NH2 3.12Å; F61-R63 PolarHBondContact O-N 3.29Å; R63-L67 HydrophobicContact CG-CD1 3.67Å; R63-L67 HydrophobicContact CG-CG 4.17Å; R63-L67 WeakPolarHBondContact O-CB 3.22Å; R63-L67 WeakPolarHBondContact O-CG 3.26Å; R63-L67 PolarHBondContact O-N 2.89Å
64E95.2Very high94.4Very high14 Ų1451.7 Ų51.77%0.06528%0.279CS..Hα-helixtrans-62-49.7177.8-179.1-178.4164.600111.5K49 S60 F61 S66 L67 T68 F93 F162 G163K49-E64 WeakPolarHBondContact CE-OE1 3.42Å; K49-E64 IonicContact NZ-OE1 3.39Å; K49-E64 PolarHBondContact NZ-OE1 2.96Å; S60-E64 PolarHBondContact O-N 2.69Å; F61-E64 WeakPolarHBondContact O-CB 3.42Å; F61-E64 PolarHBondContact O-N 2.87Å; E64-S66 PolarHBondContact O-N 2.88Å; E64-L67 PolarHBondContact O-N 3.38Å; E64-T68 WeakPolarHBondContact O-CB 3.5Å; E64-T68 PolarHBondContact O-N 3.45Å; E64-T68 PolarHBondContact O-OG1 3.09Å; E64-F93 HydrophobicContact CG-CZ 4.38Å; E64-F162 HydrophobicContact CG-CB 4.35Å; E64-G163 WeakPolarHBondContact OE2-CA 3.44Å
65F95.3Very high94.6Very high26 Ų2649.5 Ų49.511%0.11427%0.272CS..Hα-helixtrans-55.3-51.8177.4174-102.2000111.4F61 L62 T68 G69 V80 L84 F93F61-F65 PolarHBondContact O-N 2.73Å; L62-F65 PolarHBondContact O-N 3.48Å; F65-T68 PolarHBondContact O-N 2.97Å; F65-G69 PolarHBondContact O-N 2.81Å; F65-V80 HydrophobicContact CD2-CG1 3.75Å; F65-V80 HydrophobicContact CE2-CG1 3.34Å; F65-V80 HydrophobicContact CZ-CG1 4.15Å; F65-L84 HydrophobicContact CD1-CD1 4.39Å; F65-L84 HydrophobicContact CD1-CD2 4.2Å; F65-L84 HydrophobicContact CD2-CD1 3.96Å; F65-L84 HydrophobicContact CE1-CD1 4.46Å; F65-L84 HydrophobicContact CE1-CD2 3.78Å; F65-L84 HydrophobicContact CE2-CB 4.25Å; F65-L84 HydrophobicContact CE2-CD1 4.01Å; F65-L84 HydrophobicContact CE2-CG 4.5Å; F65-L84 HydrophobicContact CG-CD1 4.14Å; F65-L84 HydrophobicContact CZ-CB 4.16Å; F65-L84 HydrophobicContact CZ-CD1 4.27Å; F65-L84 HydrophobicContact CZ-CD2 3.95Å; F65-L84 HydrophobicContact CZ-CG 4.36Å; F65-F93 HydrophobicContact CD2-CB 3.59Å; F65-F93 AromaticContact CD2-CD2 3.9Å; F65-F93 HydrophobicContact CD2-CD2 3.9Å; F65-F93 AromaticContact CD2-CG 3.81Å; F65-F93 HydrophobicContact CD2-CG 3.81Å; F65-F93 HydrophobicContact CE2-CB 3.95Å
66S94.7Very high95Very high32 Ų3245.7 Ų45.722%0.22426%0.255CS..Hα-helixtrans-68.8-39.3-177.2-61.50000113.3Q4 L62 E64 S70Q4-S66 PolarHBondContact NE2-OG 3.42Å; Q4-S66 PolarHBondContact OE1-OG 2.94Å; L62-S66 VanDerWaalsContact O-CB 3.26Å; L62-S66 WeakPolarHBondContact O-CB 3.18Å; L62-S66 PolarHBondContact O-N 3.41Å; L62-S66 PolarHBondContact O-OG 3.45Å; E64-S66 PolarHBondContact O-N 2.88Å; S66-S70 WeakPolarHBondContact O-CB 3.34Å; S66-S70 PolarHBondContact O-N 2.94Å; S66-S70 PolarHBondContact O-OG 3.1Å
67L95.4Very high95.3Very high32 Ų3245 Ų4517%0.16825%0.251CS..Hα-helixtrans-62.9-49.8174.7-76.8173.9000110.6R63 E64 G69 S70 L71 L137 T165R63-L67 HydrophobicContact CG-CD1 3.67Å; R63-L67 HydrophobicContact CG-CG 4.17Å; R63-L67 WeakPolarHBondContact O-CB 3.22Å; R63-L67 WeakPolarHBondContact O-CG 3.26Å; R63-L67 PolarHBondContact O-N 2.89Å; E64-L67 PolarHBondContact O-N 3.38Å; L67-G69 VanDerWaalsContact C-N 3.32Å; L67-G69 PolarHBondContact O-N 2.72Å; L67-S70 PolarHBondContact O-N 3.47Å; L67-S70 PolarHBondContact O-OG 2.94Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.48Å; L67-L71 PolarHBondContact O-N 3.32Å; L67-L71 VanDerWaalsContact O-N 3.09Å; L67-L137 HydrophobicContact CD2-CD1 4Å; L67-L137 HydrophobicContact CD2-CD2 3.85Å; L67-T165 HydrophobicContact CD1-CG2 4.02Å
68T95.2Very high95.5Very high0 Ų037 Ų370%022%0.216CC..Hα-helixtrans-62.7-41.3-179.7-45.50000110.9E64 F65 S70 L71 S72 I78 V80 F162E64-T68 WeakPolarHBondContact O-CB 3.5Å; E64-T68 PolarHBondContact O-N 3.45Å; E64-T68 PolarHBondContact O-OG1 3.09Å; F65-T68 PolarHBondContact O-N 2.97Å; T68-S70 PolarHBondContact O-N 3.47Å; T68-L71 PolarHBondContact O-N 2.79Å; T68-S72 PolarHBondContact O-N 2.9Å; T68-S72 PolarHBondContact O-OG 3.09Å; T68-I78 HydrophobicContact CG2-CG2 4.04Å; T68-V80 VanDerWaalsContact CB-CG2 3.49Å; T68-V80 HydrophobicContact CG2-CG2 3.41Å; T68-V80 VanDerWaalsContact CG2-CG2 3.41Å; T68-F162 HydrophobicContact CG2-CD2 3.61Å; T68-F162 HydrophobicContact CG2-CE2 3.83Å; T68-F162 HydrophobicContact CG2-CG 4.45Å; T68-F162 WeakPolarHBondContact OG1-CB 3.46Å; T68-F162 WeakPolarHBondContact OG1-CD2 3.32Å
69G95.7Very high95.7Very high35 Ų3539.2 Ų39.236%0.36122%0.223SC..Hα-helixtrans-57.8-46.8172.800000112.6F65 L67 L71 S72F65-G69 PolarHBondContact O-N 2.81Å; L67-G69 VanDerWaalsContact C-N 3.32Å; L67-G69 PolarHBondContact O-N 2.72Å; G69-L71 PolarHBondContact O-N 2.79Å; G69-S72 WeakPolarHBondContact O-CB 3.39Å; G69-S72 PolarHBondContact O-N 3.27Å
70S95.8Very high95.9Very high68 Ų6833.8 Ų33.848%0.47620%0.201SC..Hα-helixtrans-65.2-21.9178.176.20000114.2S66 L67 T68S66-S70 WeakPolarHBondContact O-CB 3.34Å; S66-S70 PolarHBondContact O-N 2.94Å; S66-S70 PolarHBondContact O-OG 3.1Å; L67-S70 PolarHBondContact O-N 3.47Å; L67-S70 PolarHBondContact O-OG 2.94Å; T68-S70 PolarHBondContact O-N 3.47Å
71L97.2Very high95.9Very high0 Ų033.7 Ų33.70%020%0.197CC..Hα-helixtrans-96.3-10.8179.5-66.3172.9000113.2L67 T68 G69 C73 S74 I77 F131 M132 K135 L137 F162L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.48Å; L67-L71 PolarHBondContact O-N 3.32Å; L67-L71 VanDerWaalsContact O-N 3.09Å; T68-L71 PolarHBondContact O-N 2.79Å; G69-L71 PolarHBondContact O-N 2.79Å; L71-C73 PolarHBondContact O-N 2.68Å; L71-S74 WeakPolarHBondContact O-CB 3.45Å; L71-S74 PolarHBondContact O-N 2.79Å; L71-I77 HydrophobicContact CB-CD1 3.87Å; L71-I77 HydrophobicContact CB-CG2 3.99Å; L71-I77 HydrophobicContact CD1-CD1 4.38Å; L71-I77 HydrophobicContact CD2-CD1 4.42Å; L71-I77 HydrophobicContact CG-CD1 4.46Å; L71-F131 HydrophobicContact CB-CE1 4.42Å; L71-F131 HydrophobicContact CD2-CD1 4.05Å; L71-F131 HydrophobicContact CD2-CE1 3.59Å; L71-M132 HydrophobicContact CD1-CE 4.07Å; L71-M132 HydrophobicContact CD1-CG 4.11Å; L71-M132 HydrophobicContact CD1-SD 4.48Å; L71-M132 HydrophobicContact CD2-CG 4.26Å; L71-K135 HydrophobicContact CD2-CD 3.89Å; L71-L137 HydrophobicContact CD1-CD1 4.22Å; L71-L137 HydrophobicContact CD2-CD1 4.09Å; L71-L137 HydrophobicContact CG-CD1 4.42Å; L71-F162 HydrophobicContact CD1-CD1 3.82Å; L71-F162 HydrophobicContact CD1-CE1 3.62Å; L71-F162 HydrophobicContact CD1-CZ 4.48Å
72S94.9Very high95.7Very high27 Ų2741.8 Ų41.819%0.18924%0.24CC..THydrogen-bonded Turntrans-65.5-9.8-174.2-68.60000114.4T68 G69 S74 V80T68-S72 PolarHBondContact O-N 2.9Å; T68-S72 PolarHBondContact O-OG 3.09Å; G69-S72 WeakPolarHBondContact O-CB 3.39Å; G69-S72 PolarHBondContact O-N 3.27Å; S72-S74 VanDerWaalsContact C-N 3.27Å; S72-V80 PolarHBondContact OG-N 2.84Å; S72-V80 VanDerWaalsContact OG-N 3.11Å
73C95.6Very high95.6Very high102 Ų10242.1 Ų42.169%0.68924%0.243SC*.THydrogen-bonded Turntrans-74.1-16.9171.962.80000113.1L71L71-C73 PolarHBondContact O-N 2.68Å
74S97.6Very high95.7Very high8 Ų840.4 Ų40.46%0.05624%0.238CC..SBendtrans-76.7131.4172.3177.20000110.5L71 S72 F76 I77L71-S74 WeakPolarHBondContact O-CB 3.45Å; L71-S74 PolarHBondContact O-N 2.79Å; S72-S74 VanDerWaalsContact C-N 3.27Å; S74-F76 PolarHBondContact O-N 3.41Å; S74-F76 PolarHBondContact OG-N 3.08Å; S74-I77 PolarHBondContact O-N 3.12Å
75P97.6Very high95.6Very high83 Ų8340 Ų4054%0.53924%0.236SC..THydrogen-bonded Turntrans-67.5-15.8178.328.6-35.1000113.4K158P75-K158 VanDerWaalsContact O-CE 3.24Å; P75-K158 WeakPolarHBondContact O-CE 3.39Å
76F98.3Very high95.7Very high48 Ų4840.9 Ų40.921%0.21124%0.24CC..THydrogen-bonded Turntrans-101.99.7-176.8-48.2-61.1000113.4S74 Q124 L127 A128 K158 L159S74-F76 PolarHBondContact O-N 3.41Å; S74-F76 PolarHBondContact OG-N 3.08Å; F76-Q124 HydrophobicContact CD1-CB 3.71Å; F76-Q124 HydrophobicContact CD1-CG 3.84Å; F76-Q124 HydrophobicContact CE1-CB 4.03Å; F76-Q124 HydrophobicContact CE1-CG 3.67Å; F76-Q124 HydrophobicContact CG-CB 4.38Å; F76-L127 HydrophobicContact CD2-CB 3.52Å; F76-L127 HydrophobicContact CD2-CD1 4.24Å; F76-L127 HydrophobicContact CE2-CB 3.56Å; F76-L127 HydrophobicContact CE2-CD1 3.42Å; F76-L127 VanDerWaalsContact CE2-CD1 3.42Å; F76-L127 HydrophobicContact CE2-CG 4.1Å; F76-L127 HydrophobicContact CG-CB 4.4Å; F76-L127 HydrophobicContact CZ-CB 4.46Å; F76-L127 HydrophobicContact CZ-CD1 3.63Å; F76-A128 HydrophobicContact CB-CB 3.75Å; F76-K158 CarbonylContact O-C 3.49Å; F76-K158 WeakPolarHBondContact O-CA 3.39Å; F76-L159 PolarHBondContact O-N 2.93Å
77I98.6Very high95.7Very high0 Ų040.6 Ų40.60%024%0.238CC..BIsolated β-bridgetrans-121.6139.4177-69.1175.9000108.8L71 S74 K79 A128 F131 M132 F162L71-I77 HydrophobicContact CB-CD1 3.87Å; L71-I77 HydrophobicContact CB-CG2 3.99Å; L71-I77 HydrophobicContact CD1-CD1 4.38Å; L71-I77 HydrophobicContact CD2-CD1 4.42Å; L71-I77 HydrophobicContact CG-CD1 4.46Å; S74-I77 PolarHBondContact O-N 3.12Å; I77-K79 PolarHBondContact O-N 2.9Å; I77-A128 HydrophobicContact CG1-CB 4.16Å; I77-F131 HydrophobicContact CD1-CD1 3.83Å; I77-F131 HydrophobicContact CD1-CE1 4.26Å; I77-M132 HydrophobicContact CD1-CG 3.87Å; I77-M132 HydrophobicContact CD1-SD 4.36Å; I77-F162 HydrophobicContact CB-CZ 4.43Å; I77-F162 HydrophobicContact CD1-CZ 4.47Å; I77-F162 HydrophobicContact CG1-CZ 4.31Å; I77-F162 HydrophobicContact CG2-CE1 4.34Å; I77-F162 HydrophobicContact CG2-CE2 3.88Å; I77-F162 HydrophobicContact CG2-CZ 3.45Å; I77-F162 VanDerWaalsContact CG2-CZ 3.45Å
78I97.9Very high95.6Very high1 Ų147.2 Ų47.21%0.00527%0.267CS..PPolyproline II helixtrans-59.8131.6-179.6-160.467.9000110.8T68 Q95 E96 L148 F150 K158 L159 A160 F162T68-I78 HydrophobicContact CG2-CG2 4.04Å; I78-Q95 HydrophobicContact CG1-CB 4.38Å; I78-E96 HydrophobicContact CD1-CG 3.33Å; I78-E96 HydrophobicContact CG1-CG 3.98Å; I78-L148 HydrophobicContact CD1-CD1 3.8Å; I78-L148 HydrophobicContact CG1-CD1 4.14Å; I78-F150 HydrophobicContact CD1-CE2 4.47Å; I78-F150 HydrophobicContact CD1-CZ 4.16Å; I78-K158 HydrophobicContact CD1-CB 4.39Å; I78-K158 HydrophobicContact CD1-CD 4.3Å; I78-L159 PolarHBondContact N-O 3.07Å; I78-A160 HydrophobicContact CB-CB 4.08Å; I78-A160 HydrophobicContact CG2-CB 3.84Å; I78-F162 HydrophobicContact CG2-CE2 4.12Å
79K97.1Very high95.5Very high108 Ų10852.3 Ų52.347%0.4730%0.295SS..PPolyproline II helixtrans-79.1128.4-179.7-177.1173.1-179.6-177.90110.4I77 Q95 E96I77-K79 PolarHBondContact O-N 2.9Å; K79-Q95 VanDerWaalsContact O-CA 3.32Å; K79-Q95 WeakPolarHBondContact O-CA 3.39Å; K79-E96 HydrophobicContact CB-CB 4.34Å; K79-E96 HydrophobicContact CB-CG 4.11Å; K79-E96 WeakPolarHBondContact CB-OE1 3.29Å; K79-E96 PolarHBondContact N-OE1 3.05Å; K79-E96 PolarHBondContact O-N 2.97Å
80V95.5Very high95.5Very high17 Ų1751.3 Ų51.310%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-78.2136.6163.6173.50000109.4F65 T68 S72 F93F65-V80 HydrophobicContact CD2-CG1 3.75Å; F65-V80 HydrophobicContact CE2-CG1 3.34Å; F65-V80 HydrophobicContact CZ-CG1 4.15Å; T68-V80 VanDerWaalsContact CB-CG2 3.49Å; T68-V80 HydrophobicContact CG2-CG2 3.41Å; T68-V80 VanDerWaalsContact CG2-CG2 3.41Å; S72-V80 PolarHBondContact OG-N 2.84Å; S72-V80 VanDerWaalsContact OG-N 3.11Å; V80-F93 HydrophobicContact CG1-CD2 4.35Å; V80-F93 HydrophobicContact CG2-CD2 4.3Å; V80-F93 HydrophobicContact CG2-CE2 4.2Å
81L94.1Very high95.6Very high40 Ų4049.4 Ų49.421%0.20927%0.265CS..EExtended strand (participates in β ladder)trans-94.9161175.2-56.5-178.7000110M46 V83 G94M46-L81 HydrophobicContact CB-CD1 3.59Å; M46-L81 HydrophobicContact CE-CD1 3.95Å; M46-L81 HydrophobicContact CG-CD1 4.48Å; M46-L81 HydrophobicContact SD-CD1 4.17Å; L81-V83 HydrophobicContact CB-CG2 4.37Å; L81-V83 PolarHBondContact O-N 3.31Å; L81-G94 PolarHBondContact N-O 3.07Å
82D90.5Very high95.5Very high169 Ų16949.4 Ų49.490%0.90427%0.265SS*.EExtended strand (participates in β ladder)trans-76.560.8174.5-165.826.4000110.8
83V91.9Very high95.6Very high16 Ų1648.1 Ų48.110%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-136.6110.8179175.40000106.3Y20 M46 L48 L81 F85 F93 G94Y20-V83 WeakPolarHBondContact OH-CG1 3.5Å; M46-V83 HydrophobicContact CE-CG2 4.47Å; M46-V83 HydrophobicContact SD-CG2 4.02Å; L48-V83 HydrophobicContact CD2-CG1 3.85Å; L81-V83 HydrophobicContact CB-CG2 4.37Å; L81-V83 PolarHBondContact O-N 3.31Å; V83-F85 HydrophobicContact CG1-CD1 4.06Å; V83-F85 HydrophobicContact CG1-CE1 3.86Å; V83-F93 CarbonylContact O-C 3.56Å; V83-F93 WeakPolarHBondContact O-CA 3.3Å; V83-F93 WeakPolarHBondContact O-CB 3.46Å; V83-G94 PolarHBondContact O-N 3Å
84L94.7Very high95.7Very high23 Ų2343.3 Ų43.312%0.1222%0.223CC..EExtended strand (participates in β ladder)trans-149.2118.9-178.2-177.968.9000109.3I8 F61 F65 V92 F93I8-L84 HydrophobicContact CG1-CD2 3.84Å; I8-L84 HydrophobicContact CG1-CG 4Å; F61-L84 HydrophobicContact CE1-CD1 3.63Å; F61-L84 HydrophobicContact CZ-CD1 3.67Å; F65-L84 HydrophobicContact CD1-CD1 4.39Å; F65-L84 HydrophobicContact CD1-CD2 4.2Å; F65-L84 HydrophobicContact CD2-CD1 3.96Å; F65-L84 HydrophobicContact CE1-CD1 4.46Å; F65-L84 HydrophobicContact CE1-CD2 3.78Å; F65-L84 HydrophobicContact CE2-CB 4.25Å; F65-L84 HydrophobicContact CE2-CD1 4.01Å; F65-L84 HydrophobicContact CE2-CG 4.5Å; F65-L84 HydrophobicContact CG-CD1 4.14Å; F65-L84 HydrophobicContact CZ-CB 4.16Å; F65-L84 HydrophobicContact CZ-CD1 4.27Å; F65-L84 HydrophobicContact CZ-CD2 3.95Å; F65-L84 HydrophobicContact CZ-CG 4.36Å; L84-V92 WeakPolarHBondContact CA-O 3.33Å; L84-F93 HydrophobicContact CD1-CB 3.99Å
85F95Very high95.7Very high4 Ų443.5 Ų43.52%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-155.1172.8178.161.1-91.8000110.4T9 L11 V16 Y20 L48 V83 T87 V92T9-F85 CarbonylContact O-C 3.48Å; T9-F85 WeakPolarHBondContact O-CA 3.46Å; T9-F85 WeakPolarHBondContact O-CB 3.26Å; L11-F85 HydrophobicContact CB-CD2 4.11Å; L11-F85 HydrophobicContact CD1-CB 3.89Å; L11-F85 HydrophobicContact CD1-CD1 4.03Å; L11-F85 HydrophobicContact CD1-CD2 3.81Å; L11-F85 HydrophobicContact CD1-CE1 4.49Å; L11-F85 HydrophobicContact CD1-CE2 4.29Å; L11-F85 HydrophobicContact CD1-CG 3.66Å; L11-F85 HydrophobicContact CG-CB 4.02Å; L11-F85 HydrophobicContact CG-CD2 4.17Å; L11-F85 HydrophobicContact CG-CG 4.19Å; V16-F85 HydrophobicContact CG1-CZ 4.32Å; V16-F85 HydrophobicContact CG2-CD2 4.28Å; V16-F85 HydrophobicContact CG2-CE2 3.52Å; V16-F85 HydrophobicContact CG2-CZ 4.02Å; Y20-F85 HydrophobicContact CE2-CE1 4.13Å; L48-F85 HydrophobicContact CD1-CZ 4.24Å; V83-F85 HydrophobicContact CG1-CD1 4.06Å; V83-F85 HydrophobicContact CG1-CE1 3.86Å; F85-T87 HydrophobicContact CD2-CG2 4.32Å; F85-T87 HydrophobicContact CE2-CG2 4.02Å; F85-V92 HydrophobicContact CD1-CB 4.33Å; F85-V92 HydrophobicContact CD2-CB 3.87Å; F85-V92 HydrophobicContact CD2-CG2 4.02Å; F85-V92 HydrophobicContact CE1-CB 4.04Å; F85-V92 HydrophobicContact CE1-CG1 3.83Å; F85-V92 HydrophobicContact CE2-CB 3.55Å; F85-V92 HydrophobicContact CE2-CG1 3.86Å; F85-V92 HydrophobicContact CE2-CG2 3.57Å; F85-V92 HydrophobicContact CG-CB 4.25Å; F85-V92 HydrophobicContact CZ-CB 3.66Å; F85-V92 HydrophobicContact CZ-CG1 3.45Å; F85-V92 VanDerWaalsContact CZ-CG1 3.45Å; F85-V92 HydrophobicContact CZ-CG2 4.07Å; F85-V92 PolarHBondContact N-O 2.87Å; F85-V92 WeakPolarHBondContact O-CA 3.37Å; F85-V92 PolarHBondContact O-N 3.42Å
86E95.6Very high95.6Very high45 Ų4541 Ų4121%0.2121%0.205CC..EExtended strand (participates in β ladder)trans-124.215116968179.4161.500110.8I8 T9 S10 L11 K53 S90 Y91I8-E86 HydrophobicContact CG2-CB 3.85Å; I8-E86 HydrophobicContact CG2-CG 3.78Å; T9-E86 PolarHBondContact O-N 2.88Å; S10-E86 CarbonylContact C-O 3.59Å; S10-E86 WeakPolarHBondContact CA-O 3.34Å; S10-E86 PolarHBondContact OG-OE1 3.26Å; L11-E86 PolarHBondContact N-O 3.35Å; K53-E86 WeakPolarHBondContact CE-OE2 3.31Å; K53-E86 IonicContact NZ-OE2 3.99Å; K53-E86 PolarHBondContact NZ-OE2 3.48Å; E86-S90 CarbonylContact C-O 3.55Å; E86-S90 WeakPolarHBondContact CA-O 3.49Å; E86-Y91 HydrophobicContact CB-CD1 4.02Å
87T94.8Very high95.6Very high27 Ų2740.8 Ų40.817%0.16620%0.203CC..  trans-105.9-17516567.60000109L11 V16 K53 F85 D89 S90 V92L11-T87 WeakPolarHBondContact O-CA 3.19Å; V16-T87 HydrophobicContact CG2-CG2 4.09Å; K53-T87 WeakPolarHBondContact CE-O 3.41Å; K53-T87 PolarHBondContact NZ-O 2.97Å; F85-T87 HydrophobicContact CD2-CG2 4.32Å; F85-T87 HydrophobicContact CE2-CG2 4.02Å; T87-D89 VanDerWaalsContact C-N 3.32Å; T87-D89 PolarHBondContact O-N 2.78Å; T87-S90 PolarHBondContact N-O 2.89Å; T87-S90 PolarHBondContact OG1-N 3.07Å; T87-V92 HydrophobicContact CG2-CG2 4.35Å
88E93.2Very high95.6Very high170 Ų17041.3 Ų41.379%0.79421%0.207SC*.SBendtrans-51.7-50.6173.5-171.6171.6-174.600111.7K53K53-E88 PolarHBondContact NZ-O 2.86Å
89D94.3Very high95.5Very high107 Ų10744.7 Ų44.757%0.57223%0.229SC*.SBendtrans-104.4-9.8-171-63.6-45.6000115.5K53 T87K53-D89 PolarHBondContact N-O 3.26Å; T87-D89 VanDerWaalsContact C-N 3.32Å; T87-D89 PolarHBondContact O-N 2.78Å
90S96.1Very high95.6Very high15 Ų1540.4 Ų40.411%0.10521%0.213CC..EExtended strand (participates in β ladder)trans-138.7147.8-170.9-62.60000113.6V51 E86 T87V51-S90 CarbonylContact O-C 3.53Å; V51-S90 VanDerWaalsContact O-CA 3.29Å; V51-S90 WeakPolarHBondContact O-CA 3.3Å; E86-S90 CarbonylContact C-O 3.55Å; E86-S90 WeakPolarHBondContact CA-O 3.49Å; T87-S90 PolarHBondContact N-O 2.89Å; T87-S90 PolarHBondContact OG1-N 3.07Å
91Y96.4Very high95.6Very high28 Ų2840.8 Ų40.811%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-90.5140.7158.3-54.2-66.4000108.9V51 K53 T56 L58 F61 E86V51-Y91 PolarHBondContact N-O 2.95Å; V51-Y91 PolarHBondContact O-N 3.46Å; K53-Y91 HydrophobicContact CB-CE2 4.26Å; K53-Y91 HydrophobicContact CD-CE1 4.09Å; K53-Y91 HydrophobicContact CD-CE2 4.39Å; K53-Y91 HydrophobicContact CG-CD1 4.45Å; K53-Y91 HydrophobicContact CG-CD2 3.97Å; K53-Y91 HydrophobicContact CG-CE1 4.15Å; K53-Y91 HydrophobicContact CG-CE2 3.64Å; K53-Y91 HydrophobicContact CG-CG 4.35Å; T56-Y91 WeakPolarHBondContact O-CE2 3.33Å; L58-Y91 HydrophobicContact CB-CE1 4.35Å; L58-Y91 HydrophobicContact CB-CE2 4.35Å; L58-Y91 HydrophobicContact CD1-CD1 3.99Å; L58-Y91 HydrophobicContact CD1-CE1 3.62Å; L58-Y91 HydrophobicContact CG-CE1 4.49Å; F61-Y91 HydrophobicContact CB-CD2 3.98Å; F61-Y91 HydrophobicContact CB-CG 4.37Å; F61-Y91 HydrophobicContact CD1-CD1 4.42Å; F61-Y91 HydrophobicContact CD1-CD2 4.38Å; F61-Y91 AromaticContact CD1-CG 3.92Å; F61-Y91 HydrophobicContact CD1-CG 3.92Å; F61-Y91 VanDerWaalsContact CD2-CB 3.43Å; F61-Y91 HydrophobicContact CD2-CD2 4.4Å; F61-Y91 HydrophobicContact CD2-CG 4.23Å; F61-Y91 HydrophobicContact CE1-CG 4.25Å; F61-Y91 HydrophobicContact CE2-CG 4.49Å; F61-Y91 HydrophobicContact CG-CD2 4.01Å; F61-Y91 AromaticContact CG-CG 3.91Å; F61-Y91 HydrophobicContact CG-CG 3.91Å; F61-Y91 VanDerWaalsContact CZ-CB 3.45Å; E86-Y91 HydrophobicContact CB-CD1 4.02Å
92V96.8Very high95.8Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-133.3133.5-172.3-167.50000110.6L48 K49 F50 L84 F85 T87L48-V92 HydrophobicContact CB-CG1 4.1Å; K49-V92 WeakPolarHBondContact O-CA 3.35Å; F50-V92 HydrophobicContact CD1-CB 4.44Å; F50-V92 HydrophobicContact CD1-CG1 4.15Å; F50-V92 HydrophobicContact CD1-CG2 3.4Å; F50-V92 HydrophobicContact CE1-CG1 4.1Å; F50-V92 HydrophobicContact CE1-CG2 3.71Å; F50-V92 HydrophobicContact CE2-CG1 4.46Å; F50-V92 HydrophobicContact CG-CG1 4.35Å; F50-V92 HydrophobicContact CG-CG2 4.12Å; F50-V92 HydrophobicContact CZ-CG1 4.25Å; L84-V92 WeakPolarHBondContact CA-O 3.33Å; F85-V92 HydrophobicContact CD1-CB 4.33Å; F85-V92 HydrophobicContact CD2-CB 3.87Å; F85-V92 HydrophobicContact CD2-CG2 4.02Å; F85-V92 HydrophobicContact CE1-CB 4.04Å; F85-V92 HydrophobicContact CE1-CG1 3.83Å; F85-V92 HydrophobicContact CE2-CB 3.55Å; F85-V92 HydrophobicContact CE2-CG1 3.86Å; F85-V92 HydrophobicContact CE2-CG2 3.57Å; F85-V92 HydrophobicContact CG-CB 4.25Å; F85-V92 HydrophobicContact CZ-CB 3.66Å; F85-V92 HydrophobicContact CZ-CG1 3.45Å; F85-V92 VanDerWaalsContact CZ-CG1 3.45Å; F85-V92 HydrophobicContact CZ-CG2 4.07Å; F85-V92 PolarHBondContact N-O 2.87Å; F85-V92 WeakPolarHBondContact O-CA 3.37Å; F85-V92 PolarHBondContact O-N 3.42Å; T87-V92 HydrophobicContact CG2-CG2 4.35Å
93F96.6Very high96.2Very high0 Ų032.5 Ų32.50%018%0.177CC..EExtended strand (participates in β ladder)trans-137151.816769.4-79.2000112K49 V51 F61 E64 F65 V80 V83 L84 Q95K49-F93 HydrophobicContact CB-CD1 4.37Å; K49-F93 HydrophobicContact CB-CE1 4.07Å; K49-F93 HydrophobicContact CB-CZ 4.29Å; K49-F93 HydrophobicContact CD-CE1 3.85Å; K49-F93 HydrophobicContact CD-CZ 3.75Å; K49-F93 HydrophobicContact CG-CE1 4.1Å; K49-F93 HydrophobicContact CG-CZ 4.39Å; K49-F93 PolarHBondContact N-O 2.94Å; K49-F93 PolarHBondContact O-N 2.82Å; V51-F93 HydrophobicContact CG2-CE1 4.49Å; F61-F93 HydrophobicContact CD2-CD1 4.4Å; F61-F93 AromaticContact CE2-CD1 3.47Å; F61-F93 HydrophobicContact CE2-CD1 3.47Å; F61-F93 VanDerWaalsContact CE2-CD1 3.47Å; F61-F93 AromaticContact CE2-CE1 3.99Å; F61-F93 HydrophobicContact CE2-CE1 3.99Å; F61-F93 HydrophobicContact CZ-CB 4.33Å; F61-F93 AromaticContact CZ-CD1 3.85Å; F61-F93 HydrophobicContact CZ-CD1 3.85Å; E64-F93 HydrophobicContact CG-CZ 4.38Å; F65-F93 HydrophobicContact CD2-CB 3.59Å; F65-F93 AromaticContact CD2-CD2 3.9Å; F65-F93 HydrophobicContact CD2-CD2 3.9Å; F65-F93 AromaticContact CD2-CG 3.81Å; F65-F93 HydrophobicContact CD2-CG 3.81Å; F65-F93 HydrophobicContact CE2-CB 3.95Å; V80-F93 HydrophobicContact CG1-CD2 4.35Å; V80-F93 HydrophobicContact CG2-CD2 4.3Å; V80-F93 HydrophobicContact CG2-CE2 4.2Å; V83-F93 CarbonylContact O-C 3.56Å; V83-F93 WeakPolarHBondContact O-CA 3.3Å; V83-F93 WeakPolarHBondContact O-CB 3.46Å; L84-F93 HydrophobicContact CD1-CB 3.99Å; F93-Q95 HydrophobicContact CD2-CG 3.89Å; F93-Q95 HydrophobicContact CE2-CG 3.63Å
94G96.5Very high96.4Very high0 Ų037.2 Ų37.20%020%0.196CC..EExtended strand (participates in β ladder)trans-91143.9179.800000113.1A47 L81 V83A47-G94 CarbonylContact O-C 3.46Å; A47-G94 WeakPolarHBondContact O-CA 3.38Å; L81-G94 PolarHBondContact N-O 3.07Å; V83-G94 PolarHBondContact O-N 3Å
95Q97.3Very high96.4Very high13 Ų1341.6 Ų41.66%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-132.4157.7173.8-60.5-177.9-63.800110.1M46 A47 I78 K79 F93M46-Q95 WeakPolarHBondContact CB-O 3.46Å; A47-Q95 HydrophobicContact CB-CB 4.49Å; A47-Q95 PolarHBondContact N-O 2.93Å; A47-Q95 PolarHBondContact O-N 2.84Å; I78-Q95 HydrophobicContact CG1-CB 4.38Å; K79-Q95 VanDerWaalsContact O-CA 3.32Å; K79-Q95 WeakPolarHBondContact O-CA 3.39Å; F93-Q95 HydrophobicContact CD2-CG 3.89Å; F93-Q95 HydrophobicContact CE2-CG 3.63Å
96E96.9Very high96.5Very high30 Ų3042.3 Ų42.314%0.1422%0.224CC..EExtended strand (participates in β ladder)trans-60145.2171.373.7-17713000110.8I78 K79 F150 R156 K158I78-E96 HydrophobicContact CD1-CG 3.33Å; I78-E96 HydrophobicContact CG1-CG 3.98Å; K79-E96 HydrophobicContact CB-CB 4.34Å; K79-E96 HydrophobicContact CB-CG 4.11Å; K79-E96 WeakPolarHBondContact CB-OE1 3.29Å; K79-E96 PolarHBondContact N-OE1 3.05Å; K79-E96 PolarHBondContact O-N 2.97Å; E96-F150 HydrophobicContact CG-CZ 3.99Å; E96-F150 WeakPolarHBondContact OE2-CZ 3.46Å; E96-R156 IonicContact OE2-NH2 3.62Å; E96-K158 WeakPolarHBondContact OE1-CD 3.34Å; E96-K158 WeakPolarHBondContact OE1-CE 3.36Å; E96-K158 IonicContact OE1-NZ 2.99Å; E96-K158 PolarHBondContact OE1-NZ 2.84Å; E96-K158 IonicContact OE2-NZ 2.94Å; E96-K158 PolarHBondContact OE2-NZ 3.41Å
97Y97.8Very high96.6Very high44 Ų4441.1 Ų41.117%0.17322%0.218CC..  trans-85.6127.7-179.7171-126.7000111.5R24 L26 L36 K45 P99 F150R24-Y97 PolarHBondContact NH2-OH 3.37Å; L26-Y97 HydrophobicContact CD1-CD2 3.86Å; L26-Y97 HydrophobicContact CD1-CE2 3.98Å; L26-Y97 HydrophobicContact CD2-CD2 4.49Å; L26-Y97 HydrophobicContact CD2-CE2 3.78Å; L36-Y97 HydrophobicContact CD1-CD1 3.81Å; L36-Y97 HydrophobicContact CD1-CD2 3.6Å; L36-Y97 HydrophobicContact CD1-CE1 4.04Å; L36-Y97 HydrophobicContact CD1-CE2 3.85Å; L36-Y97 HydrophobicContact CD1-CG 3.57Å; L36-Y97 HydrophobicContact CD2-CE1 4.05Å; L36-Y97 HydrophobicContact CD2-CE2 3.96Å; L36-Y97 HydrophobicContact CG-CE2 4.38Å; K45-Y97 HydrophobicContact CB-CD1 4.29Å; Y97-P99 HydrophobicContact CD1-CB 4.43Å; Y97-P99 HydrophobicContact CE1-CB 3.88Å; Y97-P99 VanDerWaalsContact O-CD 3.29Å; Y97-P99 WeakPolarHBondContact O-CD 3.22Å; Y97-F150 VanDerWaalsContact O-CE1 3.32Å; Y97-F150 WeakPolarHBondContact O-CE1 3.26Å
98A97.9Very high96.7Very high10 Ų1042.5 Ų42.58%0.08323%0.228CC..  trans-91.9103.3171.700000110.5A100 G101 L148 L149 F150A98-A100 VanDerWaalsContact C-N 3.31Å; A98-A100 PolarHBondContact O-N 2.95Å; A98-G101 PolarHBondContact O-N 2.97Å; A98-L148 HydrophobicContact CB-CB 3.68Å; A98-L148 HydrophobicContact CB-CD1 4.14Å; A98-L148 HydrophobicContact CB-CG 4.41Å; A98-L149 CarbonylContact C-O 3.59Å; A98-F150 HydrophobicContact CB-CE2 4.24Å; A98-F150 HydrophobicContact CB-CZ 4.21Å
99P97.4Very high96.8Very high73 Ų7339 Ų3947%0.47422%0.22SC..THydrogen-bonded Turntrans-71.4-20.4-169.228.3-37.4000114.9Y97 F150Y97-P99 HydrophobicContact CD1-CB 4.43Å; Y97-P99 HydrophobicContact CE1-CB 3.88Å; Y97-P99 VanDerWaalsContact O-CD 3.29Å; Y97-P99 WeakPolarHBondContact O-CD 3.22Å; P99-F150 HydrophobicContact CG-CD1 4.47Å
100A97.6Very high96.7Very high17 Ų1740 Ų4014%0.1422%0.221CC..THydrogen-bonded Turntrans-96.18-177.400000113.4A98 L149 R152A98-A100 VanDerWaalsContact C-N 3.31Å; A98-A100 PolarHBondContact O-N 2.95Å; A100-L149 HydrophobicContact CB-CB 3.77Å; A100-L149 WeakPolarHBondContact CB-O 3.49Å; A100-L149 PolarHBondContact N-O 3.36Å; A100-L149 VanDerWaalsContact N-O 3.07Å; A100-R152 HydrophobicContact CB-CG 4.28Å
101G96.9Very high96.7Very high25 Ų2544.3 Ų44.326%0.25825%0.246SC..  trans81.7-143.9179.500000112A98 L149A98-G101 PolarHBondContact O-N 2.97Å; G101-L149 PolarHBondContact O-N 3.44Å
102D97.4Very high96.6Very high35 Ų3543.2 Ų43.219%0.18724%0.243CC..BIsolated β-bridgetrans-117.5173178.461.255000111.8F104 D105 V147 L148 L149D102-F104 VanDerWaalsContact C-N 3.29Å; D102-F104 PolarHBondContact O-N 3.1Å; D102-F104 WeakPolarHBondContact OD1-CA 3.4Å; D102-F104 WeakPolarHBondContact OD1-CB 3.12Å; D102-F104 PolarHBondContact OD1-N 2.78Å; D102-D105 PolarHBondContact OD1-N 3.2Å; D102-D105 VanDerWaalsContact OD1-N 3.09Å; D102-V147 CarbonylContact C-O 3.55Å; D102-V147 WeakPolarHBondContact CA-O 3.3Å; D102-L148 HydrophobicContact CB-CD2 3.97Å; D102-L149 VanDerWaalsContact O-CD1 3.3Å; D102-L149 WeakPolarHBondContact O-CD1 3.48Å
103L98.1Very high96.7Very high0 Ų044 Ų440%025%0.248CC..SBendtrans-71.4-25-178.2-177.364.7000112.3I106 I107 L113 P144 V147 L149 L209 M213L103-I106 HydrophobicContact CD1-CD1 3.88Å; L103-I106 HydrophobicContact CD1-CG1 3.92Å; L103-I106 WeakPolarHBondContact O-CG1 3.48Å; L103-I106 PolarHBondContact O-N 3.31Å; L103-I107 HydrophobicContact CD1-CD1 4.42Å; L103-I107 HydrophobicContact CD1-CG1 4.37Å; L103-I107 HydrophobicContact CD2-CD1 4.45Å; L103-I107 HydrophobicContact CG-CD1 3.92Å; L103-I107 HydrophobicContact CG-CG1 4.35Å; L103-I107 WeakPolarHBondContact O-CG1 3.28Å; L103-I107 PolarHBondContact O-N 2.82Å; L103-L113 HydrophobicContact CD1-CD1 3.89Å; L103-P144 HydrophobicContact CB-CB 4.18Å; L103-P144 WeakPolarHBondContact CB-O 3.39Å; L103-P144 HydrophobicContact CG-CB 4.29Å; L103-P144 PolarHBondContact N-O 3.21Å; L103-V147 HydrophobicContact CB-CB 3.85Å; L103-V147 HydrophobicContact CB-CG1 4.16Å; L103-V147 WeakPolarHBondContact CB-O 3.36Å; L103-V147 HydrophobicContact CD2-CB 4.01Å; L103-V147 HydrophobicContact CD2-CG1 4.05Å; L103-V147 HydrophobicContact CD2-CG2 4.35Å; L103-V147 PolarHBondContact N-O 3.31Å; L103-L149 HydrophobicContact CD1-CD2 4.48Å; L103-L209 HydrophobicContact CD2-CD1 4.1Å; L103-L209 HydrophobicContact CD2-CD2 4.43Å; L103-M213 HydrophobicContact CD1-CE 4.08Å; L103-M213 HydrophobicContact CD2-CE 4.03Å; L103-M213 HydrophobicContact CD2-CG 4.15Å; L103-M213 HydrophobicContact CD2-SD 3.76Å
104F96.8Very high96.7Very high115 Ų11548.2 Ų48.250%0.50428%0.275SS..G310 helixtrans-61.3-46.9179-179.5-96.2000110.6D102 I106 I107 P144 E145D102-F104 VanDerWaalsContact C-N 3.29Å; D102-F104 PolarHBondContact O-N 3.1Å; D102-F104 WeakPolarHBondContact OD1-CA 3.4Å; D102-F104 WeakPolarHBondContact OD1-CB 3.12Å; D102-F104 PolarHBondContact OD1-N 2.78Å; F104-I106 PolarHBondContact O-N 3.22Å; F104-I106 VanDerWaalsContact O-N 3.12Å; F104-I107 PolarHBondContact O-N 3.38Å; F104-P144 HydrophobicContact CB-CB 3.8Å; F104-P144 HydrophobicContact CD2-CB 4.42Å; F104-E145 HydrophobicContact CB-CG 4.03Å; F104-E145 HydrophobicContact CD2-CG 4.28Å; F104-E145 HydrophobicContact CG-CG 4.19Å
105D95.9Very high96.7Very high115 Ų11550 Ų5062%0.61528%0.284SS*.G310 helixtrans-62.2-21.6-177.2-81.5-14.2000114.5D102D102-D105 PolarHBondContact OD1-N 3.2Å; D102-D105 VanDerWaalsContact OD1-N 3.09Å
106I97.1Very high96.7Very high20 Ų2054.5 Ų54.510%0.10331%0.305CS..G310 helixtrans-103.9-13.7-174.671158.1000114.3L103 F104 P108 L113 M117 L149L103-I106 HydrophobicContact CD1-CD1 3.88Å; L103-I106 HydrophobicContact CD1-CG1 3.92Å; L103-I106 WeakPolarHBondContact O-CG1 3.48Å; L103-I106 PolarHBondContact O-N 3.31Å; F104-I106 PolarHBondContact O-N 3.22Å; F104-I106 VanDerWaalsContact O-N 3.12Å; I106-P108 WeakPolarHBondContact O-CD 3.44Å; I106-L113 HydrophobicContact CD1-CD1 4.26Å; I106-L113 HydrophobicContact CD1-CD2 4.43Å; I106-L113 HydrophobicContact CG1-CD2 4.43Å; I106-L113 WeakPolarHBondContact O-CD2 3.49Å; I106-M117 HydrophobicContact CD1-CE 3.67Å; I106-L149 HydrophobicContact CB-CD1 4.48Å; I106-L149 HydrophobicContact CD1-CD1 3.46Å; I106-L149 VanDerWaalsContact CD1-CD1 3.46Å; I106-L149 HydrophobicContact CG1-CD1 3.8Å; I106-L149 HydrophobicContact CG2-CD1 3.87Å
107I97.6Very high96.7Very high20 Ų2053.7 Ų53.710%0.10330%0.301CS..SBendtrans-79.4109.3177.9-64.9165.4000108.8L103 F104 P109 L113 P144 M213L103-I107 HydrophobicContact CD1-CD1 4.42Å; L103-I107 HydrophobicContact CD1-CG1 4.37Å; L103-I107 HydrophobicContact CD2-CD1 4.45Å; L103-I107 HydrophobicContact CG-CD1 3.92Å; L103-I107 HydrophobicContact CG-CG1 4.35Å; L103-I107 WeakPolarHBondContact O-CG1 3.28Å; L103-I107 PolarHBondContact O-N 2.82Å; F104-I107 PolarHBondContact O-N 3.38Å; I107-P109 WeakPolarHBondContact O-CD 3.45Å; I107-L113 HydrophobicContact CG1-CD1 3.8Å; I107-L113 HydrophobicContact CG1-CD2 4.45Å; I107-L113 HydrophobicContact CG1-CG 4Å; I107-P144 HydrophobicContact CD1-CB 4.17Å; I107-P144 HydrophobicContact CD1-CG 4.11Å; I107-M213 HydrophobicContact CD1-CG 3.86Å; I107-M213 HydrophobicContact CG1-CG 4.48Å
108P96Very high96.7Very high55 Ų5551.6 Ų51.636%0.35729%0.293SS..  trans-72.4127.9177.7-7.824.6000109.3I106 V111 G112 G216I106-P108 WeakPolarHBondContact O-CD 3.44Å; P108-V111 HydrophobicContact CB-CB 4.18Å; P108-V111 PolarHBondContact O-N 3.34Å; P108-G112 VanDerWaalsContact CD-O 3.27Å; P108-G112 WeakPolarHBondContact CD-O 3.39Å; P108-G112 PolarHBondContact O-N 2.79Å; P108-G216 WeakPolarHBondContact O-CA 3.47Å
109P94.7Very high96.7Very high97 Ų9752.2 Ų52.263%0.6329%0.294SS*.THydrogen-bonded Turntrans-54.9142.7177.8-25.533.9000111.5I107 V111I107-P109 WeakPolarHBondContact O-CD 3.45Å; P109-V111 PolarHBondContact O-N 3.13Å
110Q93.2Very high96.7Very high128 Ų12852 Ų5260%0.59828%0.283SS*.THydrogen-bonded Turntrans64.7-9.2179.1-55.3-61.8-2400117T215 G216 N217Q110-T215 CarbonylContact C-O 3.18Å; Q110-G216 PolarHBondContact N-O 3.17Å; Q110-N217 PolarHBondContact NE2-OD1 3.29Å; Q110-N217 PolarHBondContact OE1-ND2 2.97Å; Q110-N217 PolarHBondContact OE1-OD1 2.95Å
111V94.9Very high96.7Very high105 Ų10551.2 Ų51.264%0.63628%0.277SS*.THydrogen-bonded Turntrans-110.6-50.3-178.2-177.70000110.7P108 P109 T215P108-V111 HydrophobicContact CB-CB 4.18Å; P108-V111 PolarHBondContact O-N 3.34Å; P109-V111 PolarHBondContact O-N 3.13Å; V111-T215 PolarHBondContact N-O 2.94Å
112G96.3Very high96.7Very high5 Ų550.1 Ų50.15%0.05227%0.265CS..  trans78.7-171.1-169.900000113P108 M213 G216P108-G112 VanDerWaalsContact CD-O 3.27Å; P108-G112 WeakPolarHBondContact CD-O 3.39Å; P108-G112 PolarHBondContact O-N 2.79Å; G112-M213 CarbonylContact C-O 3.51Å; G112-M213 VanDerWaalsContact CA-O 3.3Å; G112-M213 WeakPolarHBondContact CA-O 3.37Å; G112-G216 VanDerWaalsContact CA-N 3.31Å
113L97.6Very high96.7Very high17 Ų1752.5 Ų52.59%0.08928%0.275CS..  trans-100.3156.6-174.5-65.7179.9000111.5L103 I106 I107 E115 M117 V118 M213L103-L113 HydrophobicContact CD1-CD1 3.89Å; I106-L113 HydrophobicContact CD1-CD1 4.26Å; I106-L113 HydrophobicContact CD1-CD2 4.43Å; I106-L113 HydrophobicContact CG1-CD2 4.43Å; I106-L113 WeakPolarHBondContact O-CD2 3.49Å; I107-L113 HydrophobicContact CG1-CD1 3.8Å; I107-L113 HydrophobicContact CG1-CD2 4.45Å; I107-L113 HydrophobicContact CG1-CG 4Å; L113-E115 PolarHBondContact O-N 3.21Å; L113-M117 HydrophobicContact CB-CE 3.92Å; L113-M117 HydrophobicContact CD1-CE 3.56Å; L113-M117 HydrophobicContact CD2-CE 3.31Å; L113-M117 HydrophobicContact CG-CE 3.76Å; L113-V118 HydrophobicContact CB-CG2 3.66Å; L113-M213 HydrophobicContact CD1-CE 4.03Å; L113-M213 HydrophobicContact CD1-CG 4.47Å; L113-M213 PolarHBondContact N-O 2.85Å
114P97.1Very high96.7Very high89 Ų8953.4 Ų53.458%0.57828%0.279SS*.  trans-54.3133.8168.8-24.634.6000111E116 M117 V118P114-E116 VanDerWaalsContact C-N 3.26Å; P114-E116 PolarHBondContact O-N 3.02Å; P114-M117 HydrophobicContact CB-CB 4.39Å; P114-M117 WeakPolarHBondContact O-CA 3.43Å; P114-M117 VanDerWaalsContact O-CB 3.3Å; P114-M117 WeakPolarHBondContact O-CB 3.29Å; P114-M117 PolarHBondContact O-N 3.17Å; P114-V118 PolarHBondContact O-N 3.13Å; P114-V118 VanDerWaalsContact O-N 3.08Å
115E96.5Very high96.8Very high38 Ų3848 Ų4818%0.17826%0.255CS..Hα-helixtrans-54.5-41.6-173-175.5176.6128.800112.8L113 M117 V118 K119 L214 E285 L286 V287L113-E115 PolarHBondContact O-N 3.21Å; E115-M117 VanDerWaalsContact C-N 3.26Å; E115-M117 PolarHBondContact O-N 3.4Å; E115-V118 WeakPolarHBondContact O-CA 3.49Å; E115-V118 WeakPolarHBondContact O-CB 3.21Å; E115-V118 PolarHBondContact O-N 2.73Å; E115-V118 VanDerWaalsContact O-N 3.08Å; E115-K119 HydrophobicContact CG-CD 4.36Å; E115-K119 WeakPolarHBondContact O-CG 3.47Å; E115-K119 PolarHBondContact O-N 2.89Å; E115-K119 WeakPolarHBondContact OE1-CE 3.39Å; E115-K119 IonicContact OE1-NZ 3.64Å; E115-K119 PolarHBondContact OE1-NZ 3.48Å; E115-L214 HydrophobicContact CG-CD2 4.26Å; E115-E285 VanDerWaalsContact OE1-CA 3.31Å; E115-E285 WeakPolarHBondContact OE1-CA 3.26Å; E115-L286 VanDerWaalsContact CD-N 3.25Å; E115-L286 HydrophobicContact CG-CB 4.23Å; E115-L286 HydrophobicContact CG-CD1 4.36Å; E115-L286 HydrophobicContact CG-CG 4.38Å; E115-L286 PolarHBondContact OE1-N 3.1Å; E115-L286 PolarHBondContact OE2-N 2.88Å; E115-L286 VanDerWaalsContact OE2-N 3.13Å; E115-V287 PolarHBondContact OE2-N 3.49Å
116E96.2Very high96.9Very high107 Ų10742.5 Ų42.550%0.523%0.226SC..Hα-helixtrans-62.7-33.1177.8-67.7-54.3120.500113P114 K119 R120P114-E116 VanDerWaalsContact C-N 3.26Å; P114-E116 PolarHBondContact O-N 3.02Å; E116-K119 WeakPolarHBondContact OE1-CD 3.31Å; E116-K119 IonicContact OE1-NZ 2.81Å; E116-K119 PolarHBondContact OE1-NZ 2.84Å; E116-R120 WeakPolarHBondContact O-CG 3.47Å; E116-R120 PolarHBondContact O-N 3.2Å; E116-R120 VanDerWaalsContact O-N 3.15Å; E116-R120 PolarHBondContact O-NH1 2.98Å
117M97.8Very high97Very high12 Ų1244 Ų446%0.05923%0.234CC..Hα-helixtrans-71.6-38.2174.2-161.7167.185.300111.3I106 L113 P114 E115 R120 C121 E153 C154I106-M117 HydrophobicContact CD1-CE 3.67Å; L113-M117 HydrophobicContact CB-CE 3.92Å; L113-M117 HydrophobicContact CD1-CE 3.56Å; L113-M117 HydrophobicContact CD2-CE 3.31Å; L113-M117 HydrophobicContact CG-CE 3.76Å; P114-M117 HydrophobicContact CB-CB 4.39Å; P114-M117 WeakPolarHBondContact O-CA 3.43Å; P114-M117 VanDerWaalsContact O-CB 3.3Å; P114-M117 WeakPolarHBondContact O-CB 3.29Å; P114-M117 PolarHBondContact O-N 3.17Å; E115-M117 VanDerWaalsContact C-N 3.26Å; E115-M117 PolarHBondContact O-N 3.4Å; M117-R120 PolarHBondContact O-N 3.19Å; M117-C121 WeakPolarHBondContact O-CB 3.19Å; M117-C121 PolarHBondContact O-N 3.3Å; M117-E153 WeakPolarHBondContact CG-O 3.42Å; M117-C154 HydrophobicContact CG-CB 3.68Å
118V98.1Very high97.1Very high0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-62-48173.6-178.40000111L113 P114 E115 R120 C121 M122 L210 M213 L214L113-V118 HydrophobicContact CB-CG2 3.66Å; P114-V118 PolarHBondContact O-N 3.13Å; P114-V118 VanDerWaalsContact O-N 3.08Å; E115-V118 WeakPolarHBondContact O-CA 3.49Å; E115-V118 WeakPolarHBondContact O-CB 3.21Å; E115-V118 PolarHBondContact O-N 2.73Å; E115-V118 VanDerWaalsContact O-N 3.08Å; V118-R120 PolarHBondContact O-N 3.3Å; V118-C121 PolarHBondContact O-N 3.15Å; V118-M122 HydrophobicContact CG1-CG 3.98Å; V118-M122 WeakPolarHBondContact O-CB 3.19Å; V118-M122 WeakPolarHBondContact O-CG 3.48Å; V118-M122 PolarHBondContact O-N 3.02Å; V118-L210 HydrophobicContact CG1-CD1 3.49Å; V118-L210 VanDerWaalsContact CG1-CD1 3.49Å; V118-M213 HydrophobicContact CB-CE 4.22Å; V118-M213 HydrophobicContact CG1-CB 3.9Å; V118-M213 HydrophobicContact CG1-CE 3.97Å; V118-M213 HydrophobicContact CG1-SD 4.31Å; V118-M213 HydrophobicContact CG2-CB 3.85Å; V118-M213 HydrophobicContact CG2-CE 4.2Å; V118-L214 HydrophobicContact CB-CD2 3.97Å; V118-L214 HydrophobicContact CG1-CD2 3.94Å; V118-L214 HydrophobicContact CG1-CG 4.05Å; V118-L214 HydrophobicContact CG2-CD2 3.88Å; V118-L214 HydrophobicContact CG2-CG 4.42Å
119K97.3Very high97.2Very high24 Ų2440.4 Ų40.410%0.10421%0.212CC..Hα-helixtrans-56.5-48177.5-73.4171.8179.8163.70111.7E115 E116 C121 M122 Q123 I282 Y284 L286E115-K119 HydrophobicContact CG-CD 4.36Å; E115-K119 WeakPolarHBondContact O-CG 3.47Å; E115-K119 PolarHBondContact O-N 2.89Å; E115-K119 WeakPolarHBondContact OE1-CE 3.39Å; E115-K119 IonicContact OE1-NZ 3.64Å; E115-K119 PolarHBondContact OE1-NZ 3.48Å; E116-K119 WeakPolarHBondContact OE1-CD 3.31Å; E116-K119 IonicContact OE1-NZ 2.81Å; E116-K119 PolarHBondContact OE1-NZ 2.84Å; K119-C121 PolarHBondContact O-N 2.86Å; K119-M122 PolarHBondContact O-N 3.42Å; K119-Q123 VanDerWaalsContact O-CB 3.3Å; K119-Q123 WeakPolarHBondContact O-CB 3.22Å; K119-Q123 PolarHBondContact O-N 3.33Å; K119-I282 VanDerWaalsContact CD-O 3.32Å; K119-I282 WeakPolarHBondContact CD-O 3.49Å; K119-I282 WeakPolarHBondContact CE-O 3.46Å; K119-I282 HydrophobicContact CG-CB 4.32Å; K119-I282 HydrophobicContact CG-CG2 4.39Å; K119-Y284 VanDerWaalsContact CE-O 3.28Å; K119-Y284 WeakPolarHBondContact CE-O 3.43Å; K119-Y284 PolarHBondContact NZ-O 3.39Å; K119-Y284 VanDerWaalsContact NZ-O 3.17Å; K119-L286 HydrophobicContact CG-CD1 4.19Å
120R96.9Very high97.4Very high69 Ų6937.9 Ų37.926%0.2619%0.193SC..Hα-helixtrans-59-46.8176.7-74.3-170-61.1-89.810.8112.7E116 M117 V118 Q124 E153E116-R120 WeakPolarHBondContact O-CG 3.47Å; E116-R120 PolarHBondContact O-N 3.2Å; E116-R120 VanDerWaalsContact O-N 3.15Å; E116-R120 PolarHBondContact O-NH1 2.98Å; M117-R120 PolarHBondContact O-N 3.19Å; V118-R120 PolarHBondContact O-N 3.3Å; R120-Q124 WeakPolarHBondContact O-CG 3.39Å; R120-Q124 PolarHBondContact O-N 2.93Å; R120-Q124 PolarHBondContact O-NE2 3.48Å; R120-E153 PolarHBondContact NE-O 3.28Å; R120-E153 PolarHBondContact NH2-O 3.04Å; R120-E153 IonicContact NH2-OE2 3.76Å; R120-E153 PolarHBondContact NH2-OE2 3.48Å
121C98.2Very high97.6Very high0 Ų033.9 Ų33.90%017%0.174CC..Hα-helixtrans-65.8-49.1-179.5-179.90000111.4M117 V118 K119 Q123 Q124 L125 C154 M213M117-C121 WeakPolarHBondContact O-CB 3.19Å; M117-C121 PolarHBondContact O-N 3.3Å; V118-C121 PolarHBondContact O-N 3.15Å; K119-C121 PolarHBondContact O-N 2.86Å; C121-Q123 VanDerWaalsContact C-N 3.28Å; C121-Q123 PolarHBondContact O-N 3.03Å; C121-Q124 PolarHBondContact O-N 3.43Å; C121-L125 WeakPolarHBondContact O-CB 3.46Å; C121-L125 PolarHBondContact O-N 3.44Å; C121-C154 HydrophobicContact CB-CB 3.88Å; C121-M213 HydrophobicContact CB-CE 3.5Å; C121-M213 VanDerWaalsContact SG-CE 3.52Å
122M97.8Very high97.8Very high1 Ų128.9 Ų28.91%0.00514%0.143CC..Hα-helixtrans-68.1-28.8-178.3-65.9-45.9-8400113V118 K119 L125 G126 F206 L209 L210 M213V118-M122 HydrophobicContact CG1-CG 3.98Å; V118-M122 WeakPolarHBondContact O-CB 3.19Å; V118-M122 WeakPolarHBondContact O-CG 3.48Å; V118-M122 PolarHBondContact O-N 3.02Å; K119-M122 PolarHBondContact O-N 3.42Å; M122-L125 HydrophobicContact CE-CD2 4.25Å; M122-L125 HydrophobicContact SD-CD2 4.09Å; M122-G126 PolarHBondContact O-N 3.36Å; M122-F206 HydrophobicContact CB-CE2 4.45Å; M122-F206 HydrophobicContact CB-CZ 4.06Å; M122-F206 HydrophobicContact CE-CD1 3.89Å; M122-F206 HydrophobicContact CE-CD2 3.39Å; M122-F206 HydrophobicContact CE-CE1 3.73Å; M122-F206 HydrophobicContact CE-CE2 3.21Å; M122-F206 HydrophobicContact CE-CG 3.74Å; M122-F206 HydrophobicContact CE-CZ 3.4Å; M122-F206 VanDerWaalsContact CE-O 3.29Å; M122-F206 WeakPolarHBondContact CE-O 3.23Å; M122-F206 HydrophobicContact SD-CE2 4.16Å; M122-F206 HydrophobicContact SD-CZ 4.47Å; M122-L209 HydrophobicContact CE-CG 4.48Å; M122-L209 HydrophobicContact SD-CG 4.49Å; M122-L210 HydrophobicContact CE-CB 3.77Å; M122-L210 HydrophobicContact CG-CD1 4Å; M122-M213 HydrophobicContact CG-CE 4.49Å; M122-M213 HydrophobicContact CG-SD 4.1Å; M122-M213 HydrophobicContact SD-CE 4.33Å; M122-M213 HydrophobicContact SD-SD 3.44Å
123Q97.6Very high97.9Very high85 Ų8529.9 Ų29.940%0.39715%0.147SC..Hα-helixtrans-61.6-51.2172.3-172.518028.500111.1K119 C121 G126 L127 F279 I282K119-Q123 VanDerWaalsContact O-CB 3.3Å; K119-Q123 WeakPolarHBondContact O-CB 3.22Å; K119-Q123 PolarHBondContact O-N 3.33Å; C121-Q123 VanDerWaalsContact C-N 3.28Å; C121-Q123 PolarHBondContact O-N 3.03Å; Q123-G126 PolarHBondContact O-N 2.94Å; Q123-L127 WeakPolarHBondContact O-CG 3.3Å; Q123-L127 PolarHBondContact O-N 2.85Å; Q123-F279 HydrophobicContact CB-CE1 4.34Å; Q123-F279 HydrophobicContact CG-CD1 4.16Å; Q123-F279 HydrophobicContact CG-CE1 3.73Å; Q123-I282 HydrophobicContact CG-CD1 4.39Å
124Q98.3Very high97.9Very high20 Ų2032.9 Ų32.99%0.09317%0.169CC..Hα-helixtrans-66.1-42.2179.8-67.8172.179.600112.1F76 R120 C121 L127 A128 C154 R155 I157F76-Q124 HydrophobicContact CD1-CB 3.71Å; F76-Q124 HydrophobicContact CD1-CG 3.84Å; F76-Q124 HydrophobicContact CE1-CB 4.03Å; F76-Q124 HydrophobicContact CE1-CG 3.67Å; F76-Q124 HydrophobicContact CG-CB 4.38Å; R120-Q124 WeakPolarHBondContact O-CG 3.39Å; R120-Q124 PolarHBondContact O-N 2.93Å; R120-Q124 PolarHBondContact O-NE2 3.48Å; C121-Q124 PolarHBondContact O-N 3.43Å; Q124-L127 PolarHBondContact O-N 2.9Å; Q124-A128 PolarHBondContact O-N 3.5Å; Q124-C154 PolarHBondContact NE2-O 3.1Å; Q124-R155 PolarHBondContact OE1-O 3.11Å; Q124-I157 HydrophobicContact CB-CD1 3.65Å; Q124-I157 HydrophobicContact CB-CG1 3.53Å; Q124-I157 HydrophobicContact CG-CG1 4.35Å
125L98.6Very high97.9Very high0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-65.5-39.8177.5-179.661000111.6C121 M122 L127 A128 L129 V142 V147 I157 L159 F206 L209C121-L125 WeakPolarHBondContact O-CB 3.46Å; C121-L125 PolarHBondContact O-N 3.44Å; M122-L125 HydrophobicContact CE-CD2 4.25Å; M122-L125 HydrophobicContact SD-CD2 4.09Å; L125-L127 VanDerWaalsContact C-N 3.31Å; L125-L127 PolarHBondContact O-N 3.23Å; L125-A128 WeakPolarHBondContact O-CB 3.41Å; L125-A128 PolarHBondContact O-N 3.26Å; L125-L129 HydrophobicContact CD1-CD1 4.49Å; L125-L129 HydrophobicContact CD1-CG 4.39Å; L125-L129 HydrophobicContact CG-CD1 4.34Å; L125-L129 WeakPolarHBondContact O-CG 3.44Å; L125-L129 PolarHBondContact O-N 3.43Å; L125-V142 HydrophobicContact CD2-CG1 4.28Å; L125-V147 HydrophobicContact CD1-CG2 4.2Å; L125-V147 HydrophobicContact CD2-CG2 4.11Å; L125-I157 HydrophobicContact CB-CD1 4.31Å; L125-L159 HydrophobicContact CD1-CB 4.27Å; L125-L159 HydrophobicContact CD1-CD1 3.95Å; L125-L159 HydrophobicContact CD1-CD2 4.19Å; L125-L159 HydrophobicContact CD1-CG 4.38Å; L125-F206 HydrophobicContact CB-CE2 4.13Å; L125-F206 HydrophobicContact CD2-CD2 3.88Å; L125-F206 HydrophobicContact CD2-CE2 4.09Å; L125-F206 HydrophobicContact CG-CD2 3.97Å; L125-F206 HydrophobicContact CG-CE2 3.96Å; L125-L209 HydrophobicContact CD2-CD2 3.52Å
126G98.4Very high98Very high0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-61.1-40.1174.100000112.1M122 Q123 D130 V275M122-G126 PolarHBondContact O-N 3.36Å; Q123-G126 PolarHBondContact O-N 2.94Å; G126-D130 VanDerWaalsContact O-CB 3.28Å; G126-D130 WeakPolarHBondContact O-CB 3.44Å; G126-D130 PolarHBondContact O-N 2.87Å; G126-V275 WeakPolarHBondContact O-CG2 3.47Å
127L98.4Very high98.1Very high52 Ų5231.1 Ų31.127%0.27216%0.155SC..Hα-helixtrans-66.2-38.6173.7-67.9170.7000112.5F76 Q123 Q124 L125 F131 F279F76-L127 HydrophobicContact CD2-CB 3.52Å; F76-L127 HydrophobicContact CD2-CD1 4.24Å; F76-L127 HydrophobicContact CE2-CB 3.56Å; F76-L127 HydrophobicContact CE2-CD1 3.42Å; F76-L127 VanDerWaalsContact CE2-CD1 3.42Å; F76-L127 HydrophobicContact CE2-CG 4.1Å; F76-L127 HydrophobicContact CG-CB 4.4Å; F76-L127 HydrophobicContact CZ-CB 4.46Å; F76-L127 HydrophobicContact CZ-CD1 3.63Å; Q123-L127 WeakPolarHBondContact O-CG 3.3Å; Q123-L127 PolarHBondContact O-N 2.85Å; Q124-L127 PolarHBondContact O-N 2.9Å; L125-L127 VanDerWaalsContact C-N 3.31Å; L125-L127 PolarHBondContact O-N 3.23Å; L127-F131 WeakPolarHBondContact O-CB 3.43Å; L127-F131 PolarHBondContact O-N 3.46Å; L127-F279 HydrophobicContact CD2-CE2 3.88Å; L127-F279 HydrophobicContact CD2-CZ 3.62Å; L127-F279 HydrophobicContact CG-CZ 3.77Å
128A98.6Very high98.1Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-61.9-49.4175.100000111.8F76 I77 Q124 L125 F131 M132 L159F76-A128 HydrophobicContact CB-CB 3.75Å; I77-A128 HydrophobicContact CG1-CB 4.16Å; Q124-A128 PolarHBondContact O-N 3.5Å; L125-A128 WeakPolarHBondContact O-CB 3.41Å; L125-A128 PolarHBondContact O-N 3.26Å; A128-F131 PolarHBondContact O-N 2.88Å; A128-M132 WeakPolarHBondContact O-CG 3.38Å; A128-M132 PolarHBondContact O-N 3.37Å; A128-M132 VanDerWaalsContact O-N 3.1Å; A128-L159 HydrophobicContact CB-CB 4.15Å; A128-L159 HydrophobicContact CB-CD2 4.24Å
129L98.7Very high98.1Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-66.7-43.1-179.1-70.4176.4000111.9L125 F131 M132 H133 H139 V142 L159 D202 F206 V275L125-L129 HydrophobicContact CD1-CD1 4.49Å; L125-L129 HydrophobicContact CD1-CG 4.39Å; L125-L129 HydrophobicContact CG-CD1 4.34Å; L125-L129 WeakPolarHBondContact O-CG 3.44Å; L125-L129 PolarHBondContact O-N 3.43Å; L129-F131 VanDerWaalsContact C-N 3.31Å; L129-F131 PolarHBondContact O-N 3.18Å; L129-M132 WeakPolarHBondContact O-CB 3.44Å; L129-M132 PolarHBondContact O-N 2.85Å; L129-M132 VanDerWaalsContact O-N 3.17Å; L129-H133 WeakPolarHBondContact O-CB 3.48Å; L129-H133 PolarHBondContact O-CD2 2.96Å; L129-H133 PolarHBondContact O-N 3.02Å; L129-H139 HydrophobicContact CD2-CB 4.24Å; L129-V142 HydrophobicContact CD1-CG2 4.23Å; L129-V142 HydrophobicContact CD2-CG2 3.78Å; L129-L159 HydrophobicContact CD2-CD2 3.76Å; L129-L159 HydrophobicContact CG-CD2 4.38Å; L129-D202 HydrophobicContact CD1-CB 4.45Å; L129-D202 HydrophobicContact CD2-CB 4.19Å; L129-F206 HydrophobicContact CD1-CB 4.14Å; L129-F206 HydrophobicContact CD1-CD2 3.73Å; L129-F206 HydrophobicContact CD1-CG 4.29Å; L129-V275 HydrophobicContact CB-CB 4.48Å; L129-V275 HydrophobicContact CB-CG1 4.14Å; L129-V275 HydrophobicContact CB-CG2 3.99Å; L129-V275 HydrophobicContact CD1-CG1 4.03Å
130D98.3Very high98.1Very high44 Ų4431 Ų3124%0.23515%0.154CC..Hα-helixtrans-60.1-42.8175.5176.993.5000112G126 M132 H133 S134 V275 K276G126-D130 VanDerWaalsContact O-CB 3.28Å; G126-D130 WeakPolarHBondContact O-CB 3.44Å; G126-D130 PolarHBondContact O-N 2.87Å; D130-M132 VanDerWaalsContact C-N 3.31Å; D130-M132 PolarHBondContact O-N 2.76Å; D130-H133 PolarHBondContact O-N 3.13Å; D130-S134 WeakPolarHBondContact O-CB 3.42Å; D130-S134 PolarHBondContact O-N 2.86Å; D130-V275 HydrophobicContact CB-CG2 3.89Å; D130-K276 HydrophobicContact CB-CD 4.22Å; D130-K276 HydrophobicContact CB-CG 3.87Å; D130-K276 WeakPolarHBondContact OD1-CD 3.34Å; D130-K276 VanDerWaalsContact OD1-CE 3.22Å; D130-K276 WeakPolarHBondContact OD1-CE 3.42Å; D130-K276 WeakPolarHBondContact OD1-CG 3.42Å; D130-K276 IonicContact OD1-NZ 2.6Å; D130-K276 PolarHBondContact OD1-NZ 2.94Å; D130-K276 WeakPolarHBondContact OD2-CE 3.35Å; D130-K276 IonicContact OD2-NZ 2.62Å; D130-K276 PolarHBondContact OD2-NZ 3.41Å
131F98.4Very high98Very high43 Ų4329.1 Ų29.119%0.18915%0.149CC..Hα-helixtrans-59.5-41.6175.6174.6-100.7000112L71 I77 L127 A128 L129 S134 K135L71-F131 HydrophobicContact CB-CE1 4.42Å; L71-F131 HydrophobicContact CD2-CD1 4.05Å; L71-F131 HydrophobicContact CD2-CE1 3.59Å; I77-F131 HydrophobicContact CD1-CD1 3.83Å; I77-F131 HydrophobicContact CD1-CE1 4.26Å; L127-F131 WeakPolarHBondContact O-CB 3.43Å; L127-F131 PolarHBondContact O-N 3.46Å; A128-F131 PolarHBondContact O-N 2.88Å; L129-F131 VanDerWaalsContact C-N 3.31Å; L129-F131 PolarHBondContact O-N 3.18Å; F131-S134 PolarHBondContact O-OG 2.8Å; F131-K135 HydrophobicContact CE1-CD 4.23Å; F131-K135 HydrophobicContact CZ-CD 4.17Å
132M98.3Very high98Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-66.6-44.8174.4-68179.270.800112.2L71 I77 A128 L129 D130 S134 K135 N136 L137 H139 L159 F162 T165L71-M132 HydrophobicContact CD1-CE 4.07Å; L71-M132 HydrophobicContact CD1-CG 4.11Å; L71-M132 HydrophobicContact CD1-SD 4.48Å; L71-M132 HydrophobicContact CD2-CG 4.26Å; I77-M132 HydrophobicContact CD1-CG 3.87Å; I77-M132 HydrophobicContact CD1-SD 4.36Å; A128-M132 WeakPolarHBondContact O-CG 3.38Å; A128-M132 PolarHBondContact O-N 3.37Å; A128-M132 VanDerWaalsContact O-N 3.1Å; L129-M132 WeakPolarHBondContact O-CB 3.44Å; L129-M132 PolarHBondContact O-N 2.85Å; L129-M132 VanDerWaalsContact O-N 3.17Å; D130-M132 VanDerWaalsContact C-N 3.31Å; D130-M132 PolarHBondContact O-N 2.76Å; M132-S134 VanDerWaalsContact C-N 3.28Å; M132-S134 PolarHBondContact O-N 3.23Å; M132-K135 CarbonylContact O-C 3.51Å; M132-K135 WeakPolarHBondContact O-CA 3.45Å; M132-K135 WeakPolarHBondContact O-CB 3.33Å; M132-K135 PolarHBondContact O-N 2.7Å; M132-N136 PolarHBondContact O-N 2.81Å; M132-L137 CarbonylContact C-O 3.55Å; M132-L137 HydrophobicContact CB-CB 4.41Å; M132-L137 HydrophobicContact CE-CB 4.44Å; M132-L137 PolarHBondContact O-N 3.05Å; M132-L137 VanDerWaalsContact O-N 3.1Å; M132-H139 HydrophobicContact CE-CB 3.96Å; M132-H139 HydrophobicContact SD-CB 4.33Å; M132-L159 HydrophobicContact SD-CD2 3.92Å; M132-F162 HydrophobicContact CE-CD1 3.73Å; M132-F162 HydrophobicContact CE-CE1 3.54Å; M132-F162 HydrophobicContact SD-CD1 4.43Å; M132-F162 HydrophobicContact SD-CE1 3.63Å; M132-T165 HydrophobicContact CE-CG2 3.98Å
133H98.3Very high98Very high27 Ų2731.1 Ų31.113%0.12516%0.158CC..Hα-helixtrans-62.7-37.1-178.8-68.1-178.3000111L129 D130 K135 N136 L137 T199 D202L129-H133 WeakPolarHBondContact O-CB 3.48Å; L129-H133 PolarHBondContact O-CD2 2.96Å; L129-H133 PolarHBondContact O-N 3.02Å; D130-H133 PolarHBondContact O-N 3.13Å; H133-K135 PolarHBondContact O-N 3.08Å; H133-K135 VanDerWaalsContact O-N 3.1Å; H133-N136 PolarHBondContact O-N 2.66Å; H133-L137 PolarHBondContact CD2-O 2.86Å; H133-L137 VanDerWaalsContact CD2-O 3.31Å; H133-T199 HydrophobicContact CB-CG2 3.81Å; H133-D202 IonicContact CD2-OD2 2.68Å; H133-D202 IonicContact CE1-OD2 2.7Å; H133-D202 WeakPolarHBondContact NE2-CB 3.42Å; H133-D202 IonicContact NE2-OD2 3.97Å; H133-D202 PolarHBondContact NE2-OD2 3.06Å
134S97.8Very high98Very high79 Ų7927.2 Ų27.255%0.55214%0.139SC*.THydrogen-bonded Turntrans-60.2-19.4172.679.30000113.9D130 F131 M132D130-S134 WeakPolarHBondContact O-CB 3.42Å; D130-S134 PolarHBondContact O-N 2.86Å; F131-S134 PolarHBondContact O-OG 2.8Å; M132-S134 VanDerWaalsContact C-N 3.28Å; M132-S134 PolarHBondContact O-N 3.23Å
135K97.9Very high97.9Very high85 Ų8528.5 Ų28.537%0.3715%0.145SC..THydrogen-bonded Turntrans-101.712.5176.8-67.3173.6174.355.20112.6L71 F131 M132 H133 L137L71-K135 HydrophobicContact CD2-CD 3.89Å; F131-K135 HydrophobicContact CE1-CD 4.23Å; F131-K135 HydrophobicContact CZ-CD 4.17Å; M132-K135 CarbonylContact O-C 3.51Å; M132-K135 WeakPolarHBondContact O-CA 3.45Å; M132-K135 WeakPolarHBondContact O-CB 3.33Å; M132-K135 PolarHBondContact O-N 2.7Å; H133-K135 PolarHBondContact O-N 3.08Å; H133-K135 VanDerWaalsContact O-N 3.1Å; K135-L137 HydrophobicContact CB-CD1 4.27Å; K135-L137 HydrophobicContact CB-CG 4.4Å; K135-L137 PolarHBondContact O-N 3.4Å
136N98Very high97.8Very high103 Ų10329 Ų2955%0.55115%0.148SC*.THydrogen-bonded Turntrans5635.1-174.3-61.2-56.9000112.9M132 H133 R167 V168M132-N136 PolarHBondContact O-N 2.81Å; H133-N136 PolarHBondContact O-N 2.66Å; N136-R167 CarbonylContact O-C 3.57Å; N136-R167 WeakPolarHBondContact O-CA 3.04Å; N136-V168 HydrophobicContact CB-CB 4.34Å; N136-V168 HydrophobicContact CB-CG2 4.29Å; N136-V168 PolarHBondContact O-N 3.27Å
137L98.4Very high97.8Very high9 Ų929 Ų295%0.04715%0.148CC..EExtended strand (participates in β ladder)trans-111.1140.5175-66.5171.1000110.1L67 L71 M132 H133 K135 T165 R167L67-L137 HydrophobicContact CD2-CD1 4Å; L67-L137 HydrophobicContact CD2-CD2 3.85Å; L71-L137 HydrophobicContact CD1-CD1 4.22Å; L71-L137 HydrophobicContact CD2-CD1 4.09Å; L71-L137 HydrophobicContact CG-CD1 4.42Å; M132-L137 CarbonylContact C-O 3.55Å; M132-L137 HydrophobicContact CB-CB 4.41Å; M132-L137 HydrophobicContact CE-CB 4.44Å; M132-L137 PolarHBondContact O-N 3.05Å; M132-L137 VanDerWaalsContact O-N 3.1Å; H133-L137 PolarHBondContact CD2-O 2.86Å; H133-L137 VanDerWaalsContact CD2-O 3.31Å; K135-L137 HydrophobicContact CB-CD1 4.27Å; K135-L137 HydrophobicContact CB-CG 4.4Å; K135-L137 PolarHBondContact O-N 3.4Å; L137-T165 HydrophobicContact CB-CG2 4.22Å; L137-T165 HydrophobicContact CD2-CG2 4.25Å; L137-R167 HydrophobicContact CD2-CG 3.84Å
138V98.4Very high97.8Very high0 Ų028.2 Ų28.20%014%0.144CC..EExtended strand (participates in β ladder)trans-122.6127.1177.6-1730000108R140 T165 R166 V168 V197 T198 T199 M201 D202V138-R140 HydrophobicContact CB-CG 4.11Å; V138-R140 HydrophobicContact CG1-CG 3.66Å; V138-T165 VanDerWaalsContact O-CA 3.25Å; V138-T165 WeakPolarHBondContact O-CA 3.3Å; V138-T165 WeakPolarHBondContact O-CG2 3.43Å; V138-R166 PolarHBondContact N-O 3.08Å; V138-R166 PolarHBondContact O-N 3.18Å; V138-R166 VanDerWaalsContact O-N 3.1Å; V138-V168 HydrophobicContact CG2-CG2 3.61Å; V138-V197 HydrophobicContact CB-CG1 3.48Å; V138-V197 VanDerWaalsContact CB-CG1 3.48Å; V138-V197 HydrophobicContact CG1-CG1 4.01Å; V138-V197 HydrophobicContact CG2-CG1 3.46Å; V138-V197 VanDerWaalsContact CG2-CG1 3.46Å; V138-T198 WeakPolarHBondContact CG1-O 3.44Å; V138-T199 HydrophobicContact CG2-CG2 4.06Å; V138-M201 HydrophobicContact CG1-CB 4.42Å; V138-D202 WeakPolarHBondContact CA-OD2 3.49Å; V138-D202 VanDerWaalsContact CG1-OD2 3.27Å; V138-D202 WeakPolarHBondContact CG1-OD2 3.49Å
139H98.1Very high97.8Very high0 Ų028.2 Ų28.20%014%0.144CC..  trans-66.7-47.3-175.4-169.8-73.6000111.9L129 M132 D141 V142 L159 A160 D161 F162 M164 T165 D202L129-H139 HydrophobicContact CD2-CB 4.24Å; M132-H139 HydrophobicContact CE-CB 3.96Å; M132-H139 HydrophobicContact SD-CB 4.33Å; H139-D141 PolarHBondContact CE1-O 3.26Å; H139-D141 PolarHBondContact ND1-N 3.42Å; H139-D141 PolarHBondContact ND1-O 2.68Å; H139-D141 PolarHBondContact O-N 3.16Å; H139-V142 HydrophobicContact CB-CG2 4.04Å; H139-L159 VanDerWaalsContact CD2-CD2 3.47Å; H139-L159 WeakPolarHBondContact CD2-CD2 3.34Å; H139-A160 PolarHBondContact CE1-O 2.93Å; H139-A160 PolarHBondContact NE2-O 3.19Å; H139-D161 PolarHBondContact CE1-O 3.42Å; H139-D161 PolarHBondContact NE2-O 3.08Å; H139-F162 AromaticContact CD2-CE1 3.92Å; H139-M164 CarbonylContact O-C 3.58Å; H139-T165 PolarHBondContact O-N 3.01Å; H139-D202 PolarHBondContact N-OD1 2.93Å; H139-D202 PolarHBondContact N-OD2 2.75Å
140R96.4Very high97.8Very high35 Ų3529.8 Ų29.813%0.13215%0.151CC..SBendtrans6611.9178-56.1176.354.1-140.6-3.7116.5V138 M164 V172 V197 M201 D202V138-R140 HydrophobicContact CB-CG 4.11Å; V138-R140 HydrophobicContact CG1-CG 3.66Å; R140-M164 HydrophobicContact CB-CB 4.37Å; R140-M164 PolarHBondContact NH1-O 2.89Å; R140-M164 VanDerWaalsContact NH1-O 3.1Å; R140-V172 VanDerWaalsContact NH2-CG2 3.35Å; R140-V197 HydrophobicContact CG-CG1 4.37Å; R140-M201 HydrophobicContact CG-CE 4.26Å; R140-D202 PolarHBondContact N-OD1 3.13Å
141D95.7Very high97.7Very high29 Ų2929.5 Ų29.516%0.15515%0.149CC..  trans-150.544.1178.6-161.731.5000110.4H139 K143 N146 M164H139-D141 PolarHBondContact CE1-O 3.26Å; H139-D141 PolarHBondContact ND1-N 3.42Å; H139-D141 PolarHBondContact ND1-O 2.68Å; H139-D141 PolarHBondContact O-N 3.16Å; D141-K143 PolarHBondContact O-N 2.99Å; D141-K143 IonicContact OD1-NZ 2.66Å; D141-K143 PolarHBondContact OD1-NZ 3.25Å; D141-K143 IonicContact OD2-NZ 3.07Å; D141-K143 PolarHBondContact OD2-NZ 2.99Å; D141-N146 VanDerWaalsContact CG-ND2 3.33Å; D141-N146 PolarHBondContact O-ND2 2.9Å; D141-N146 PolarHBondContact OD2-ND2 2.8Å; D141-M164 HydrophobicContact CB-CB 4.25Å; D141-M164 HydrophobicContact CB-CG 4.41Å
142V98Very high97.6Very high2 Ų235.6 Ų35.61%0.01217%0.171CC..  trans-75.7113.6176.8179.20000108.4L125 L129 H139 D202 A205 L209L125-V142 HydrophobicContact CD2-CG1 4.28Å; L129-V142 HydrophobicContact CD1-CG2 4.23Å; L129-V142 HydrophobicContact CD2-CG2 3.78Å; H139-V142 HydrophobicContact CB-CG2 4.04Å; V142-D202 HydrophobicContact CG2-CB 4.29Å; V142-A205 HydrophobicContact CB-CB 3.82Å; V142-A205 HydrophobicContact CG1-CB 4.43Å; V142-L209 HydrophobicContact CG1-CD2 4.16Å
143K96.6Very high97.5Very high41 Ų4140.4 Ų40.418%0.17819%0.193CC..SBendtrans-160.9163.3-179.662.8-176.9-175.9-142.10109.7D141 E145 N146 Y181D141-K143 PolarHBondContact O-N 2.99Å; D141-K143 IonicContact OD1-NZ 2.66Å; D141-K143 PolarHBondContact OD1-NZ 3.25Å; D141-K143 IonicContact OD2-NZ 3.07Å; D141-K143 PolarHBondContact OD2-NZ 2.99Å; K143-E145 VanDerWaalsContact C-N 3.27Å; K143-E145 WeakPolarHBondContact CB-OE2 3.47Å; K143-E145 WeakPolarHBondContact CD-OE2 3.34Å; K143-E145 HydrophobicContact CG-CB 4.38Å; K143-E145 WeakPolarHBondContact CG-OE2 3.36Å; K143-E145 PolarHBondContact O-N 3.05Å; K143-N146 HydrophobicContact CG-CB 4.34Å; K143-N146 PolarHBondContact O-N 2.89Å; K143-Y181 HydrophobicContact CB-CD2 3.98Å; K143-Y181 HydrophobicContact CB-CE2 3.94Å; K143-Y181 HydrophobicContact CB-CG 4.35Å
144P97.6Very high97.5Very high2 Ų239.1 Ų39.11%0.01319%0.187CC..G310 helixtrans-55.3-38-175-23.830.6000114.3L103 F104 I107 N146 V147 Y181 L209L103-P144 HydrophobicContact CB-CB 4.18Å; L103-P144 WeakPolarHBondContact CB-O 3.39Å; L103-P144 HydrophobicContact CG-CB 4.29Å; L103-P144 PolarHBondContact N-O 3.21Å; F104-P144 HydrophobicContact CB-CB 3.8Å; F104-P144 HydrophobicContact CD2-CB 4.42Å; I107-P144 HydrophobicContact CD1-CB 4.17Å; I107-P144 HydrophobicContact CD1-CG 4.11Å; P144-N146 PolarHBondContact O-N 2.81Å; P144-N146 VanDerWaalsContact O-N 3.15Å; P144-V147 PolarHBondContact O-N 3.27Å; P144-Y181 WeakPolarHBondContact CD-OH 3.29Å; P144-Y181 WeakPolarHBondContact CG-OH 3.33Å; P144-L209 HydrophobicContact CB-CD1 4.34Å; P144-L209 HydrophobicContact CG-CD1 3.55Å
145E96.1Very high97.5Very high47 Ų4743.8 Ų43.822%0.2219%0.193CC..G310 helixtrans-60.6-26.5-179.8-5692.613700112.4F104 K143F104-E145 HydrophobicContact CB-CG 4.03Å; F104-E145 HydrophobicContact CD2-CG 4.28Å; F104-E145 HydrophobicContact CG-CG 4.19Å; K143-E145 VanDerWaalsContact C-N 3.27Å; K143-E145 WeakPolarHBondContact CB-OE2 3.47Å; K143-E145 WeakPolarHBondContact CD-OE2 3.34Å; K143-E145 HydrophobicContact CG-CB 4.38Å; K143-E145 WeakPolarHBondContact CG-OE2 3.36Å; K143-E145 PolarHBondContact O-N 3.05Å
146N97.6Very high97.5Very high12 Ų1245.2 Ų45.26%0.06420%0.196CC..G310 helixtrans-98.34.1-178.4-70.7-12.9000113D141 K143 P144 A160D141-N146 VanDerWaalsContact CG-ND2 3.33Å; D141-N146 PolarHBondContact O-ND2 2.9Å; D141-N146 PolarHBondContact OD2-ND2 2.8Å; K143-N146 HydrophobicContact CG-CB 4.34Å; K143-N146 PolarHBondContact O-N 2.89Å; P144-N146 PolarHBondContact O-N 2.81Å; P144-N146 VanDerWaalsContact O-N 3.15Å; N146-A160 WeakPolarHBondContact CB-O 3.25Å; N146-A160 PolarHBondContact O-N 3.4Å
147V98.6Very high97.5Very high0 Ų040.3 Ų40.30%017%0.17CC..EExtended strand (participates in β ladder)trans-106.599174.7-178.60000108.6D102 L103 L125 P144 I157 L209D102-V147 CarbonylContact C-O 3.55Å; D102-V147 WeakPolarHBondContact CA-O 3.3Å; L103-V147 HydrophobicContact CB-CB 3.85Å; L103-V147 HydrophobicContact CB-CG1 4.16Å; L103-V147 WeakPolarHBondContact CB-O 3.36Å; L103-V147 HydrophobicContact CD2-CB 4.01Å; L103-V147 HydrophobicContact CD2-CG1 4.05Å; L103-V147 HydrophobicContact CD2-CG2 4.35Å; L103-V147 PolarHBondContact N-O 3.31Å; L125-V147 HydrophobicContact CD1-CG2 4.2Å; L125-V147 HydrophobicContact CD2-CG2 4.11Å; P144-V147 PolarHBondContact O-N 3.27Å; V147-I157 HydrophobicContact CG1-CB 4.11Å; V147-I157 HydrophobicContact CG1-CD1 4.22Å; V147-I157 HydrophobicContact CG1-CG1 4.37Å; V147-L209 HydrophobicContact CG2-CD2 4.23Å
148L98.6Very high97.5Very high35 Ų3540.9 Ų40.918%0.18317%0.172CC..EExtended strand (participates in β ladder)trans-83.8143.5-175.5-58.8-174.8000112I78 A98 D102 I157 K158 A160I78-L148 HydrophobicContact CD1-CD1 3.8Å; I78-L148 HydrophobicContact CG1-CD1 4.14Å; A98-L148 HydrophobicContact CB-CB 3.68Å; A98-L148 HydrophobicContact CB-CD1 4.14Å; A98-L148 HydrophobicContact CB-CG 4.41Å; D102-L148 HydrophobicContact CB-CD2 3.97Å; L148-I157 CarbonylContact O-C 3.55Å; L148-I157 VanDerWaalsContact O-CA 3.26Å; L148-I157 WeakPolarHBondContact O-CA 2.99Å; L148-K158 PolarHBondContact N-O 3.38Å; L148-K158 PolarHBondContact O-N 3.34Å; L148-A160 HydrophobicContact CD1-CB 3.5Å; L148-A160 HydrophobicContact CG-CB 3.68Å
149L98.6Very high97.5Very high0 Ų040.9 Ų40.90%017%0.172CC..EExtended strand (participates in β ladder)trans-111.3133.2-173.7-55.8-179.5000111.5A98 A100 G101 D102 L103 I106 I157A98-L149 CarbonylContact C-O 3.59Å; A100-L149 HydrophobicContact CB-CB 3.77Å; A100-L149 WeakPolarHBondContact CB-O 3.49Å; A100-L149 PolarHBondContact N-O 3.36Å; A100-L149 VanDerWaalsContact N-O 3.07Å; G101-L149 PolarHBondContact O-N 3.44Å; D102-L149 VanDerWaalsContact O-CD1 3.3Å; D102-L149 WeakPolarHBondContact O-CD1 3.48Å; L103-L149 HydrophobicContact CD1-CD2 4.48Å; I106-L149 HydrophobicContact CB-CD1 4.48Å; I106-L149 HydrophobicContact CD1-CD1 3.46Å; I106-L149 VanDerWaalsContact CD1-CD1 3.46Å; I106-L149 HydrophobicContact CG1-CD1 3.8Å; I106-L149 HydrophobicContact CG2-CD1 3.87Å; L149-I157 HydrophobicContact CD2-CB 4.36Å; L149-I157 HydrophobicContact CD2-CG2 3.55Å
150F97.9Very high97.5Very high32 Ų3241.2 Ų41.214%0.1417%0.174CC..SBendtrans-98.6-13.6170.6-71.6-95.3000113.1I78 E96 Y97 A98 P99 R156 K158I78-F150 HydrophobicContact CD1-CE2 4.47Å; I78-F150 HydrophobicContact CD1-CZ 4.16Å; E96-F150 HydrophobicContact CG-CZ 3.99Å; E96-F150 WeakPolarHBondContact OE2-CZ 3.46Å; Y97-F150 VanDerWaalsContact O-CE1 3.32Å; Y97-F150 WeakPolarHBondContact O-CE1 3.26Å; A98-F150 HydrophobicContact CB-CE2 4.24Å; A98-F150 HydrophobicContact CB-CZ 4.21Å; P99-F150 HydrophobicContact CG-CD1 4.47Å; F150-R156 HydrophobicContact CB-CB 3.99Å; F150-R156 HydrophobicContact CB-CG 3.82Å; F150-R156 HydrophobicContact CD2-CG 3.95Å; F150-R156 HydrophobicContact CG-CG 4.01Å; F150-R156 PolarHBondContact N-O 2.92Å; F150-K158 HydrophobicContact CD2-CD 4.4Å; F150-K158 HydrophobicContact CD2-CG 4.16Å; F150-K158 HydrophobicContact CE2-CB 3.96Å; F150-K158 HydrophobicContact CE2-CD 3.44Å; F150-K158 VanDerWaalsContact CE2-CD 3.44Å; F150-K158 HydrophobicContact CE2-CG 3.51Å; F150-K158 HydrophobicContact CZ-CD 3.79Å; F150-K158 HydrophobicContact CZ-CG 4.36Å
151D97.5Very high97.4Very high38 Ų3842 Ų4220%0.20318%0.181CC..SBendtrans-150.4154.2171.267.595.8000109E153 C154 R155 R156D151-E153 PolarHBondContact O-N 3.17Å; D151-E153 WeakPolarHBondContact OD1-CA 3.5Å; D151-E153 VanDerWaalsContact OD1-CB 3.23Å; D151-E153 WeakPolarHBondContact OD1-CB 3.27Å; D151-E153 PolarHBondContact OD1-N 3.24Å; D151-C154 PolarHBondContact O-N 3.5Å; D151-C154 PolarHBondContact OD1-N 2.86Å; D151-R155 PolarHBondContact OD1-N 3.1Å; D151-R155 WeakPolarHBondContact OD2-CA 3.37Å; D151-R155 WeakPolarHBondContact OD2-CB 3.42Å; D151-R155 PolarHBondContact OD2-N 3.15Å; D151-R155 VanDerWaalsContact OD2-N 3.08Å; D151-R156 PolarHBondContact OD2-N 3.37Å
152R94.8Very high97.5Very high172 Ų17240.6 Ų40.665%0.64917%0.174SC*.THydrogen-bonded Turntrans-72.6-9.7-179.7-72.1-174.3172.3-101.3-4.2113.9A100 C154A100-R152 HydrophobicContact CB-CG 4.28Å; R152-C154 VanDerWaalsContact C-N 3.34Å
153E96.9Very high97.3Very high100 Ų10041.5 Ų41.547%0.46718%0.184SC..THydrogen-bonded Turntrans-94.18.7-180-69-64.8143.200112.7M117 R120 D151 R155M117-E153 WeakPolarHBondContact CG-O 3.42Å; R120-E153 PolarHBondContact NE-O 3.28Å; R120-E153 PolarHBondContact NH2-O 3.04Å; R120-E153 IonicContact NH2-OE2 3.76Å; R120-E153 PolarHBondContact NH2-OE2 3.48Å; D151-E153 PolarHBondContact O-N 3.17Å; D151-E153 WeakPolarHBondContact OD1-CA 3.5Å; D151-E153 VanDerWaalsContact OD1-CB 3.23Å; D151-E153 WeakPolarHBondContact OD1-CB 3.27Å; D151-E153 PolarHBondContact OD1-N 3.24Å; E153-R155 HydrophobicContact CB-CG 4.03Å; E153-R155 PolarHBondContact O-N 3.12Å; E153-R155 VanDerWaalsContact O-N 3.12Å
154C97.8Very high97.1Very high0 Ų041.2 Ų41.20%018%0.183CC..SBendtrans5131-176.2-59.80000113.9M117 C121 Q124 D151 R152 R156 I157M117-C154 HydrophobicContact CG-CB 3.68Å; C121-C154 HydrophobicContact CB-CB 3.88Å; Q124-C154 PolarHBondContact NE2-O 3.1Å; D151-C154 PolarHBondContact O-N 3.5Å; D151-C154 PolarHBondContact OD1-N 2.86Å; R152-C154 VanDerWaalsContact C-N 3.34Å; C154-R156 VanDerWaalsContact C-N 3.26Å; C154-I157 HydrophobicContact CB-CG2 3.97Å
155R97.6Very high97.1Very high177 Ų17741.1 Ų41.167%0.66818%0.183SC*.SBendtrans-72.4-26.5175.5-61.6174.9-177.1-104.2-0.7111.4Q124 D151 E153Q124-R155 PolarHBondContact OE1-O 3.11Å; D151-R155 PolarHBondContact OD1-N 3.1Å; D151-R155 WeakPolarHBondContact OD2-CA 3.37Å; D151-R155 WeakPolarHBondContact OD2-CB 3.42Å; D151-R155 PolarHBondContact OD2-N 3.15Å; D151-R155 VanDerWaalsContact OD2-N 3.08Å; E153-R155 HydrophobicContact CB-CG 4.03Å; E153-R155 PolarHBondContact O-N 3.12Å; E153-R155 VanDerWaalsContact O-N 3.12Å
156R98.3Very high97.1Very high116 Ų11641.5 Ų41.544%0.43818%0.182SC..SBendtrans-139.2109.1174.1179.8176.5136.9161-1.9110.3E96 F150 D151 C154E96-R156 IonicContact OE2-NH2 3.62Å; F150-R156 HydrophobicContact CB-CB 3.99Å; F150-R156 HydrophobicContact CB-CG 3.82Å; F150-R156 HydrophobicContact CD2-CG 3.95Å; F150-R156 HydrophobicContact CG-CG 4.01Å; F150-R156 PolarHBondContact N-O 2.92Å; D151-R156 PolarHBondContact OD2-N 3.37Å; C154-R156 VanDerWaalsContact C-N 3.26Å
157I98.6Very high97.1Very high0 Ų049.3 Ų49.30%021%0.211CC..EExtended strand (participates in β ladder)trans-114.9157172.571.377000110.4Q124 L125 V147 L148 L149 C154Q124-I157 HydrophobicContact CB-CD1 3.65Å; Q124-I157 HydrophobicContact CB-CG1 3.53Å; Q124-I157 HydrophobicContact CG-CG1 4.35Å; L125-I157 HydrophobicContact CB-CD1 4.31Å; V147-I157 HydrophobicContact CG1-CB 4.11Å; V147-I157 HydrophobicContact CG1-CD1 4.22Å; V147-I157 HydrophobicContact CG1-CG1 4.37Å; L148-I157 CarbonylContact O-C 3.55Å; L148-I157 VanDerWaalsContact O-CA 3.26Å; L148-I157 WeakPolarHBondContact O-CA 2.99Å; L149-I157 HydrophobicContact CD2-CB 4.36Å; L149-I157 HydrophobicContact CD2-CG2 3.55Å; C154-I157 HydrophobicContact CB-CG2 3.97Å
158K98.8Very high97.1Very high21 Ų2152 Ų529%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-139.8134170.8-64.1-169.4179.6-159.60111.3P75 F76 I78 E96 L148 F150P75-K158 VanDerWaalsContact O-CE 3.24Å; P75-K158 WeakPolarHBondContact O-CE 3.39Å; F76-K158 CarbonylContact O-C 3.49Å; F76-K158 WeakPolarHBondContact O-CA 3.39Å; I78-K158 HydrophobicContact CD1-CB 4.39Å; I78-K158 HydrophobicContact CD1-CD 4.3Å; E96-K158 WeakPolarHBondContact OE1-CD 3.34Å; E96-K158 WeakPolarHBondContact OE1-CE 3.36Å; E96-K158 IonicContact OE1-NZ 2.99Å; E96-K158 PolarHBondContact OE1-NZ 2.84Å; E96-K158 IonicContact OE2-NZ 2.94Å; E96-K158 PolarHBondContact OE2-NZ 3.41Å; L148-K158 PolarHBondContact N-O 3.38Å; L148-K158 PolarHBondContact O-N 3.34Å; F150-K158 HydrophobicContact CD2-CD 4.4Å; F150-K158 HydrophobicContact CD2-CG 4.16Å; F150-K158 HydrophobicContact CE2-CB 3.96Å; F150-K158 HydrophobicContact CE2-CD 3.44Å; F150-K158 VanDerWaalsContact CE2-CD 3.44Å; F150-K158 HydrophobicContact CE2-CG 3.51Å; F150-K158 HydrophobicContact CZ-CD 3.79Å; F150-K158 HydrophobicContact CZ-CG 4.36Å
159L98.8Very high97Very high0 Ų052.7 Ų52.70%024%0.243CC..EExtended strand (participates in β ladder)trans-72.2135.7171.5-176.559.4000110.1F76 I78 L125 A128 L129 M132 H139 F162F76-L159 PolarHBondContact O-N 2.93Å; I78-L159 PolarHBondContact N-O 3.07Å; L125-L159 HydrophobicContact CD1-CB 4.27Å; L125-L159 HydrophobicContact CD1-CD1 3.95Å; L125-L159 HydrophobicContact CD1-CD2 4.19Å; L125-L159 HydrophobicContact CD1-CG 4.38Å; A128-L159 HydrophobicContact CB-CB 4.15Å; A128-L159 HydrophobicContact CB-CD2 4.24Å; L129-L159 HydrophobicContact CD2-CD2 3.76Å; L129-L159 HydrophobicContact CG-CD2 4.38Å; M132-L159 HydrophobicContact SD-CD2 3.92Å; H139-L159 VanDerWaalsContact CD2-CD2 3.47Å; H139-L159 WeakPolarHBondContact CD2-CD2 3.34Å; L159-F162 HydrophobicContact CG-CZ 4.39Å
160A97.7Very high96.9Very high6 Ų655.1 Ų55.15%0.0526%0.259CS..  trans-134.8173.7-17700000112.1I78 H139 N146 L148I78-A160 HydrophobicContact CB-CB 4.08Å; I78-A160 HydrophobicContact CG2-CB 3.84Å; H139-A160 PolarHBondContact CE1-O 2.93Å; H139-A160 PolarHBondContact NE2-O 3.19Å; N146-A160 WeakPolarHBondContact CB-O 3.25Å; N146-A160 PolarHBondContact O-N 3.4Å; L148-A160 HydrophobicContact CD1-CB 3.5Å; L148-A160 HydrophobicContact CG-CB 3.68Å
161D94.8Very high96.8Very high51 Ų5160.7 Ų60.727%0.27328%0.279SS..  trans61.987.3-179.7-158.2-6.4000116.2K49 H139 G163K49-D161 IonicContact NZ-OD1 3.87Å; K49-D161 PolarHBondContact NZ-OD1 2.82Å; K49-D161 IonicContact NZ-OD2 3.19Å; H139-D161 PolarHBondContact CE1-O 3.42Å; H139-D161 PolarHBondContact NE2-O 3.08Å; D161-G163 PolarHBondContact OD1-N 3.17Å
162F96.2Very high96.6Very high1 Ų159.7 Ų59.70%0.00427%0.274CS..  trans-98.611.7-176.1-63-97.9000113.2E64 T68 L71 I77 I78 M132 H139 L159 M164 T165E64-F162 HydrophobicContact CG-CB 4.35Å; T68-F162 HydrophobicContact CG2-CD2 3.61Å; T68-F162 HydrophobicContact CG2-CE2 3.83Å; T68-F162 HydrophobicContact CG2-CG 4.45Å; T68-F162 WeakPolarHBondContact OG1-CB 3.46Å; T68-F162 WeakPolarHBondContact OG1-CD2 3.32Å; L71-F162 HydrophobicContact CD1-CD1 3.82Å; L71-F162 HydrophobicContact CD1-CE1 3.62Å; L71-F162 HydrophobicContact CD1-CZ 4.48Å; I77-F162 HydrophobicContact CB-CZ 4.43Å; I77-F162 HydrophobicContact CD1-CZ 4.47Å; I77-F162 HydrophobicContact CG1-CZ 4.31Å; I77-F162 HydrophobicContact CG2-CE1 4.34Å; I77-F162 HydrophobicContact CG2-CE2 3.88Å; I77-F162 HydrophobicContact CG2-CZ 3.45Å; I77-F162 VanDerWaalsContact CG2-CZ 3.45Å; I78-F162 HydrophobicContact CG2-CE2 4.12Å; M132-F162 HydrophobicContact CE-CD1 3.73Å; M132-F162 HydrophobicContact CE-CE1 3.54Å; M132-F162 HydrophobicContact SD-CD1 4.43Å; M132-F162 HydrophobicContact SD-CE1 3.63Å; H139-F162 AromaticContact CD2-CE1 3.92Å; L159-F162 HydrophobicContact CG-CZ 4.39Å; F162-M164 PolarHBondContact O-N 3.42Å; F162-M164 VanDerWaalsContact O-N 3.13Å; F162-T165 WeakPolarHBondContact CD1-OG1 3.31Å; F162-T165 WeakPolarHBondContact O-CB 3.48Å; F162-T165 PolarHBondContact O-N 2.74Å; F162-T165 PolarHBondContact O-OG1 2.86Å
163G93.5Very high96.4Very high21 Ų2158.5 Ų58.522%0.21627%0.274CS..THydrogen-bonded Turntrans-58.4-31.5-175.900000113.7E64 D161 R166E64-G163 WeakPolarHBondContact OE2-CA 3.44Å; D161-G163 PolarHBondContact OD1-N 3.17Å; G163-R166 PolarHBondContact O-NH1 3.32Å; G163-R166 VanDerWaalsContact O-NH1 3.15Å
164M93.8Very high95.8Very high35 Ų3556 Ų5617%0.17226%0.26CS..THydrogen-bonded Turntrans-88.1-10.3178.4-67.8-61.2-76.300114.3H139 R140 D141 F162 R166 V175H139-M164 CarbonylContact O-C 3.58Å; R140-M164 HydrophobicContact CB-CB 4.37Å; R140-M164 PolarHBondContact NH1-O 2.89Å; R140-M164 VanDerWaalsContact NH1-O 3.1Å; D141-M164 HydrophobicContact CB-CB 4.25Å; D141-M164 HydrophobicContact CB-CG 4.41Å; F162-M164 PolarHBondContact O-N 3.42Å; F162-M164 VanDerWaalsContact O-N 3.13Å; M164-R166 PolarHBondContact O-N 2.85Å; M164-V175 HydrophobicContact CE-CB 3.81Å; M164-V175 HydrophobicContact CE-CG1 4.45Å; M164-V175 HydrophobicContact CE-CG2 3.8Å; M164-V175 HydrophobicContact SD-CB 4.48Å; M164-V175 HydrophobicContact SD-CG2 4.44Å
165T96.8Very high94.6Very high0 Ų059.8 Ų59.80%028%0.283CS..  trans-61.9135.5-174.2-66.60000111.2L67 M132 L137 V138 H139 F162L67-T165 HydrophobicContact CD1-CG2 4.02Å; M132-T165 HydrophobicContact CE-CG2 3.98Å; L137-T165 HydrophobicContact CB-CG2 4.22Å; L137-T165 HydrophobicContact CD2-CG2 4.25Å; V138-T165 VanDerWaalsContact O-CA 3.25Å; V138-T165 WeakPolarHBondContact O-CA 3.3Å; V138-T165 WeakPolarHBondContact O-CG2 3.43Å; H139-T165 PolarHBondContact O-N 3.01Å; F162-T165 WeakPolarHBondContact CD1-OG1 3.31Å; F162-T165 WeakPolarHBondContact O-CB 3.48Å; F162-T165 PolarHBondContact O-N 2.74Å; F162-T165 PolarHBondContact O-OG1 2.86Å
166R97.1Very high93.2Very high54 Ų5454.7 Ų54.720%0.20427%0.274CS..EExtended strand (participates in β ladder)trans-141.5161.3177.5-67.7-65.1-176-77.3-6.2110.9V138 G163 M164 C170 V172 V197V138-R166 PolarHBondContact N-O 3.08Å; V138-R166 PolarHBondContact O-N 3.18Å; V138-R166 VanDerWaalsContact O-N 3.1Å; G163-R166 PolarHBondContact O-NH1 3.32Å; G163-R166 VanDerWaalsContact O-NH1 3.15Å; M164-R166 PolarHBondContact O-N 2.85Å; R166-C170 HydrophobicContact CB-CB 4.37Å; R166-V172 HydrophobicContact CG-CG1 3.88Å; R166-V197 HydrophobicContact CB-CG1 4.31Å; R166-V197 HydrophobicContact CB-CG2 4.14Å
167R97.6Very high92.1Very high176 Ų17651.6 Ų51.666%0.66428%0.279SS*.EExtended strand (participates in β ladder)trans-70147.1171-75.2-178.1165.9-171.7-4.1110.7N136 L137 C170N136-R167 CarbonylContact O-C 3.57Å; N136-R167 WeakPolarHBondContact O-CA 3.04Å; L137-R167 HydrophobicContact CD2-CG 3.84Å; R167-C170 VanDerWaalsContact O-CB 3.3Å; R167-C170 WeakPolarHBondContact O-CB 3.04Å; R167-C170 PolarHBondContact O-N 3.08Å; R167-C170 PolarHBondContact O-SG 3.39Å
168V98.1Very high91.3Very high58 Ų5854 Ų5435%0.35229%0.294SS..THydrogen-bonded Turntrans-54139.1169.4176.60000109.4N136 V138 C170 V197 T199N136-V168 HydrophobicContact CB-CB 4.34Å; N136-V168 HydrophobicContact CB-CG2 4.29Å; N136-V168 PolarHBondContact O-N 3.27Å; V138-V168 HydrophobicContact CG2-CG2 3.61Å; V168-C170 VanDerWaalsContact C-N 3.25Å; V168-C170 PolarHBondContact O-N 2.89Å; V168-V197 WeakPolarHBondContact CA-O 3.28Å; V168-T199 HydrophobicContact CG2-CG2 3.84Å
169G97Very high91Very high49 Ų4954.7 Ų54.751%0.50530%0.298SS..THydrogen-bonded Turntrans81.8-10.4-178.800000114.9R171 L196 V197G169-R171 PolarHBondContact O-N 3.37Å; G169-L196 WeakPolarHBondContact O-CD2 3.2Å; G169-V197 PolarHBondContact N-O 3.1Å
170C95.6Very high90.9Very high50 Ų5055.5 Ų55.534%0.33830%0.303SS..  trans-64.4134.7171.9-72.20000110.6R166 R167 V168 V197R166-C170 HydrophobicContact CB-CB 4.37Å; R167-C170 VanDerWaalsContact O-CB 3.3Å; R167-C170 WeakPolarHBondContact O-CB 3.04Å; R167-C170 PolarHBondContact O-N 3.08Å; R167-C170 PolarHBondContact O-SG 3.39Å; V168-C170 VanDerWaalsContact C-N 3.25Å; V168-C170 PolarHBondContact O-N 2.89Å; C170-V197 WeakPolarHBondContact O-CB 3.48Å; C170-V197 WeakPolarHBondContact O-CG2 3.46Å; C170-V197 PolarHBondContact O-N 3.12Å
171R95.1Very high90.9Very high149 Ų14956.1 Ų56.156%0.56231%0.305SS*.EExtended strand (participates in β ladder)trans-83.5131.1168.8-175.1164.2-75.8-860.4110.2G169 E193 G194 F195 L196G169-R171 PolarHBondContact O-N 3.37Å; R171-E193 WeakPolarHBondContact CD-O 3.32Å; R171-E193 PolarHBondContact NH1-O 2.93Å; R171-G194 PolarHBondContact NH1-O 3.49Å; R171-F195 WeakPolarHBondContact CA-O 3.23Å; R171-L196 HydrophobicContact CB-CD2 4.22Å
172V93.6Very high91Very high17 Ų1754.6 Ų54.610%0.10330%0.297CS..EExtended strand (participates in β ladder)trans-135.7145.3-177.3-63.30000111R140 R166 G194 F195 V197R140-V172 VanDerWaalsContact NH2-CG2 3.35Å; R166-V172 HydrophobicContact CG-CG1 3.88Å; V172-G194 CarbonylContact O-C 3.51Å; V172-G194 WeakPolarHBondContact O-CA 3.47Å; V172-F195 HydrophobicContact CG2-CD1 4.39Å; V172-F195 HydrophobicContact CG2-CD2 3.89Å; V172-F195 HydrophobicContact CG2-CE1 4Å; V172-F195 HydrophobicContact CG2-CE2 3.42Å; V172-F195 VanDerWaalsContact CG2-CE2 3.42Å; V172-F195 HydrophobicContact CG2-CG 4.36Å; V172-F195 HydrophobicContact CG2-CZ 3.53Å; V172-F195 PolarHBondContact N-O 2.9Å; V172-F195 PolarHBondContact O-N 2.95Å; V172-V197 HydrophobicContact CB-CG2 4.33Å; V172-V197 HydrophobicContact CG1-CG2 3.79Å; V172-V197 HydrophobicContact CG2-CG2 3.55Å
173K90.4Very high91Very high147 Ų14754.8 Ų54.864%0.63930%0.299SS*.  trans-72.2154.2169.5-64.1-173.3178-176.10110.1V175K173-V175 WeakPolarHBondContact O-CG2 3.3Å; K173-V175 PolarHBondContact O-N 3.3Å
174R84.6Confident91.1Very high47 Ų4753.8 Ų53.818%0.17729%0.288CS..  trans-70.2124.1166.4-166.2-169.5-70-17418.7108.3S176 T178 V186 C187 A189 F195R174-S176 WeakPolarHBondContact CD-O 3.4Å; R174-T178 PolarHBondContact NH1-OG1 3.09Å; R174-T178 VanDerWaalsContact NH1-OG1 3.14Å; R174-V186 PolarHBondContact NE-O 3.28Å; R174-V186 VanDerWaalsContact NE-O 3.14Å; R174-V186 PolarHBondContact NH2-O 3.14Å; R174-C187 PolarHBondContact NH2-O 2.95Å; R174-A189 PolarHBondContact NH2-O 3.09Å; R174-F195 HydrophobicContact CB-CE1 4.42Å
175V72.1Confident91.1Very high81 Ų8154.1 Ų54.149%0.49129%0.289SS..  trans-102.1-29.6-173.7-1720000111.9Y31 M164 K173Y31-V175 WeakPolarHBondContact OH-CG1 3.48Å; M164-V175 HydrophobicContact CE-CB 3.81Å; M164-V175 HydrophobicContact CE-CG1 4.45Å; M164-V175 HydrophobicContact CE-CG2 3.8Å; M164-V175 HydrophobicContact SD-CB 4.48Å; M164-V175 HydrophobicContact SD-CG2 4.44Å; K173-V175 WeakPolarHBondContact O-CG2 3.3Å; K173-V175 PolarHBondContact O-N 3.3Å
176S69.3Low91Very high69 Ų6954.6 Ų54.648%0.48329%0.292SS..SBendtrans-115.9165.5-17657.60000112.4R174R174-S176 WeakPolarHBondContact CD-O 3.4Å
177G74.2Confident90.8Very high52 Ų5252.4 Ų52.454%0.53629%0.285SS..  trans-57.8166.4161.400000111.8I179G177-I179 PolarHBondContact O-N 3.15Å
178T83.3Confident90.5Very high50 Ų5050.6 Ų50.631%0.30728%0.279SS..  trans-73118.4170.6-59.60000108.2R174 C187 A222R174-T178 PolarHBondContact NH1-OG1 3.09Å; R174-T178 VanDerWaalsContact NH1-OG1 3.14Å; T178-C187 VanDerWaalsContact CG2-SG 3.52Å; T178-A222 HydrophobicContact CG2-CB 3.71Å
179I92.3Very high90.1Very high35 Ų3548.7 Ų48.718%0.17927%0.268CS..  trans-110.7162.9170.362.3173.4000109.9G177 Y181 T182G177-I179 PolarHBondContact O-N 3.15Å; I179-Y181 HydrophobicContact CD1-CD2 4.2Å; I179-Y181 PolarHBondContact O-N 3.24Å; I179-T182 VanDerWaalsContact CG1-OG1 3.31Å; I179-T182 WeakPolarHBondContact CG1-OG1 3.2Å; I179-T182 PolarHBondContact N-OG1 3.45Å; I179-T182 WeakPolarHBondContact O-CB 3.36Å; I179-T182 PolarHBondContact O-N 3.01Å; I179-T182 PolarHBondContact O-OG1 3.33Å
180P96.1Very high89.6Confident18 Ų1850.3 Ų50.312%0.11727%0.266CS..THydrogen-bonded Turntrans-53.6-32.3-176.4-31.937.6000115.6T182 F218 W220 E221P180-T182 PolarHBondContact O-N 3.06Å; P180-F218 HydrophobicContact CB-CB 4.16Å; P180-F218 HydrophobicContact CB-CD1 3.35Å; P180-F218 HydrophobicContact CB-CD2 4.39Å; P180-F218 HydrophobicContact CB-CE1 3.71Å; P180-F218 HydrophobicContact CB-CG 3.73Å; P180-F218 HydrophobicContact CB-CZ 4.39Å; P180-F218 HydrophobicContact CG-CB 4.32Å; P180-F218 HydrophobicContact CG-CD1 3.76Å; P180-F218 HydrophobicContact CG-CD2 3.9Å; P180-F218 HydrophobicContact CG-CE1 3.93Å; P180-F218 HydrophobicContact CG-CE2 4.1Å; P180-F218 HydrophobicContact CG-CG 3.73Å; P180-F218 HydrophobicContact CG-CZ 4.11Å; P180-W220 WeakPolarHBondContact CB-O 3.42Å; P180-W220 PolarHBondContact O-NE1 3.4Å; P180-E221 WeakPolarHBondContact CA-O 3.2Å
181Y97.4Very high89Confident19 Ų1957.3 Ų57.38%0.07529%0.285CS..THydrogen-bonded Turntrans-74.6-8.5177.5-57.2-79.4000114.1K143 P144 I179 A183 W204 V208 L209 F218K143-Y181 HydrophobicContact CB-CD2 3.98Å; K143-Y181 HydrophobicContact CB-CE2 3.94Å; K143-Y181 HydrophobicContact CB-CG 4.35Å; P144-Y181 WeakPolarHBondContact CD-OH 3.29Å; P144-Y181 WeakPolarHBondContact CG-OH 3.33Å; I179-Y181 HydrophobicContact CD1-CD2 4.2Å; I179-Y181 PolarHBondContact O-N 3.24Å; Y181-A183 PolarHBondContact O-N 2.83Å; Y181-W204 VanDerWaalsContact O-CD1 3.3Å; Y181-V208 HydrophobicContact CD1-CB 3.89Å; Y181-V208 HydrophobicContact CD1-CG1 3.59Å; Y181-V208 HydrophobicContact CE1-CB 4.35Å; Y181-V208 HydrophobicContact CE1-CG1 3.82Å; Y181-V208 HydrophobicContact CG-CG1 4.28Å; Y181-L209 HydrophobicContact CE1-CB 4.07Å; Y181-L209 HydrophobicContact CE1-CD1 4.38Å; Y181-F218 HydrophobicContact CD2-CE1 4.31Å; Y181-F218 HydrophobicContact CE1-CE1 4.27Å; Y181-F218 AromaticContact CE2-CE1 3.49Å; Y181-F218 HydrophobicContact CE2-CE1 3.49Å; Y181-F218 VanDerWaalsContact CE2-CE1 3.49Å; Y181-F218 AromaticContact CE2-CZ 3.92Å; Y181-F218 HydrophobicContact CE2-CZ 3.92Å; Y181-F218 AromaticContact CZ-CE1 3.46Å; Y181-F218 VanDerWaalsContact CZ-CE1 3.46Å; Y181-F218 VanDerWaalsContact OH-CE1 3.3Å; Y181-F218 WeakPolarHBondContact OH-CE1 3.43Å
182T96.2Very high88.5Confident19 Ų1954 Ų5412%0.11729%0.289CS..SBendtrans-74.5125-175.8-48.90000110.2I179 P180 V186 C187 W204I179-T182 VanDerWaalsContact CG1-OG1 3.31Å; I179-T182 WeakPolarHBondContact CG1-OG1 3.2Å; I179-T182 PolarHBondContact N-OG1 3.45Å; I179-T182 WeakPolarHBondContact O-CB 3.36Å; I179-T182 PolarHBondContact O-N 3.01Å; I179-T182 PolarHBondContact O-OG1 3.33Å; P180-T182 PolarHBondContact O-N 3.06Å; T182-V186 HydrophobicContact CG2-CB 3.76Å; T182-V186 HydrophobicContact CG2-CG1 3.62Å; T182-C187 WeakPolarHBondContact CG2-SG 3.39Å; T182-C187 PolarHBondContact O-SG 3.06Å; T182-W204 PolarHBondContact O-NE1 2.67Å
183A96.4Very high88.2Confident4 Ų459.6 Ų59.63%0.03331%0.314CS..  trans-66147.9-179.700000112.4Y181 E185 V186 C187 W204Y181-A183 PolarHBondContact O-N 2.83Å; A183-E185 VanDerWaalsContact C-N 3.3Å; A183-E185 WeakPolarHBondContact CB-OE1 3.17Å; A183-E185 WeakPolarHBondContact CB-OE2 3.38Å; A183-E185 PolarHBondContact O-N 3.34Å; A183-V186 HydrophobicContact CB-CG2 4.15Å; A183-V186 WeakPolarHBondContact O-CA 3.15Å; A183-V186 WeakPolarHBondContact O-CB 3.36Å; A183-V186 PolarHBondContact O-N 2.9Å; A183-C187 PolarHBondContact O-N 3.32Å; A183-C187 PolarHBondContact O-SG 3.49Å; A183-C187 VanDerWaalsContact O-SG 3.34Å; A183-W204 VanDerWaalsContact CA-CD1 3.46Å; A183-W204 HydrophobicContact CB-CB 3.87Å; A183-W204 HydrophobicContact CB-CD2 4.25Å; A183-W204 HydrophobicContact CB-CG 3.68Å
184P95.9Very high88.2Confident0 Ų052.9 Ų52.90%029%0.287CS..Hα-helixtrans-56-39.3-174.4-21.124.8000114.4V186 C187 R188 W204 A223 Y230P184-V186 VanDerWaalsContact C-N 3.28Å; P184-V186 PolarHBondContact O-N 2.85Å; P184-C187 WeakPolarHBondContact O-CB 3.29Å; P184-C187 PolarHBondContact O-N 3.39Å; P184-R188 WeakPolarHBondContact O-CG 3.47Å; P184-R188 PolarHBondContact O-N 2.77Å; P184-R188 PolarHBondContact O-NE 2.88Å; P184-W204 HydrophobicContact CG-CD2 4.4Å; P184-W204 HydrophobicContact CG-CE3 4.07Å; P184-W204 HydrophobicContact CG-CH2 3.56Å; P184-W204 HydrophobicContact CG-CZ2 3.83Å; P184-W204 HydrophobicContact CG-CZ3 3.63Å; P184-A223 HydrophobicContact CB-CB 4.34Å; P184-A223 HydrophobicContact CG-CB 3.92Å; P184-Y230 WeakPolarHBondContact CB-OH 3.3Å; P184-Y230 HydrophobicContact CG-CE2 4.09Å; P184-Y230 WeakPolarHBondContact CG-OH 3Å
185E94.8Very high88.7Confident42 Ų4251.6 Ų51.620%0.19628%0.283CS..Hα-helixtrans-64.8-33.7176.867.9-81-16100112.1A183 A189 P269 R272A183-E185 VanDerWaalsContact C-N 3.3Å; A183-E185 WeakPolarHBondContact CB-OE1 3.17Å; A183-E185 WeakPolarHBondContact CB-OE2 3.38Å; A183-E185 PolarHBondContact O-N 3.34Å; E185-A189 PolarHBondContact O-N 2.83Å; E185-P269 HydrophobicContact CB-CG 4.08Å; E185-P269 HydrophobicContact CG-CG 3.83Å; E185-R272 IonicContact OE1-CZ 3.92Å; E185-R272 IonicContact OE1-NH1 2.9Å; E185-R272 PolarHBondContact OE1-NH1 3.26Å; E185-R272 IonicContact OE1-NH2 2.89Å; E185-R272 PolarHBondContact OE1-NH2 2.82Å; E185-R272 IonicContact OE2-CZ 2.89Å; E185-R272 IonicContact OE2-NH1 2.83Å; E185-R272 PolarHBondContact OE2-NH1 3.29Å; E185-R272 IonicContact OE2-NH2 2.74Å; E185-R272 PolarHBondContact OE2-NH2 3.18Å
186V94.3Very high89.8Confident10 Ų1052.1 Ų52.16%0.06128%0.282CS..Hα-helixtrans-74.2-40.8175.5-177.50000109.9R174 T182 A183 P184 R188 A189 F195 M201R174-V186 PolarHBondContact NE-O 3.28Å; R174-V186 VanDerWaalsContact NE-O 3.14Å; R174-V186 PolarHBondContact NH2-O 3.14Å; T182-V186 HydrophobicContact CG2-CB 3.76Å; T182-V186 HydrophobicContact CG2-CG1 3.62Å; A183-V186 HydrophobicContact CB-CG2 4.15Å; A183-V186 WeakPolarHBondContact O-CA 3.15Å; A183-V186 WeakPolarHBondContact O-CB 3.36Å; A183-V186 PolarHBondContact O-N 2.9Å; P184-V186 VanDerWaalsContact C-N 3.28Å; P184-V186 PolarHBondContact O-N 2.85Å; V186-R188 PolarHBondContact O-N 3.33Å; V186-A189 WeakPolarHBondContact O-CB 3.49Å; V186-A189 PolarHBondContact O-N 3.43Å; V186-F195 HydrophobicContact CG1-CD1 4.25Å; V186-F195 HydrophobicContact CG1-CE1 3.68Å; V186-F195 HydrophobicContact CG1-CZ 3.8Å; V186-F195 HydrophobicContact CG2-CD2 4.37Å; V186-F195 HydrophobicContact CG2-CE2 4.16Å; V186-F195 HydrophobicContact CG2-CZ 4.26Å; V186-M201 HydrophobicContact CG2-CE 3.33Å; V186-M201 HydrophobicContact CG2-CG 4.23Å; V186-M201 HydrophobicContact CG2-SD 4.1Å
187C93.1Very high91.1Very high8 Ų848.8 Ų48.85%0.05426%0.259CS..Hα-helixtrans-62-28.7175.3-64.40000113.3R174 T178 T182 A183 P184 M224R174-C187 PolarHBondContact NH2-O 2.95Å; T178-C187 VanDerWaalsContact CG2-SG 3.52Å; T182-C187 WeakPolarHBondContact CG2-SG 3.39Å; T182-C187 PolarHBondContact O-SG 3.06Å; A183-C187 PolarHBondContact O-N 3.32Å; A183-C187 PolarHBondContact O-SG 3.49Å; A183-C187 VanDerWaalsContact O-SG 3.34Å; P184-C187 WeakPolarHBondContact O-CB 3.29Å; P184-C187 PolarHBondContact O-N 3.39Å; C187-M224 HydrophobicContact CB-CG 3.77Å; C187-M224 HydrophobicContact CB-SD 3.42Å; C187-M224 WeakPolarHBondContact CB-SD 3.34Å
188R90.7Very high92.3Very high139 Ų13948.7 Ų48.753%0.52525%0.248SC..Hα-helixtrans-91-17.3176-68177.9-127.6139.8-1.8113.9P184 V186 N190 M224P184-R188 WeakPolarHBondContact O-CG 3.47Å; P184-R188 PolarHBondContact O-N 2.77Å; P184-R188 PolarHBondContact O-NE 2.88Å; V186-R188 PolarHBondContact O-N 3.33Å; R188-N190 PolarHBondContact O-N 3.18Å; R188-M224 HydrophobicContact CG-CE 4.33Å; R188-M224 HydrophobicContact CG-SD 3.88Å
189A89.6Confident93Very high17 Ų1748.6 Ų48.614%0.1425%0.248CC..SBendtrans-61.1135.1-177.600000112R174 E185 V186 F195R174-A189 PolarHBondContact NH2-O 3.09Å; E185-A189 PolarHBondContact O-N 2.83Å; V186-A189 WeakPolarHBondContact O-CB 3.49Å; V186-A189 PolarHBondContact O-N 3.43Å; A189-F195 HydrophobicContact CB-CB 3.85Å; A189-F195 HydrophobicContact CB-CD1 3.85Å; A189-F195 HydrophobicContact CB-CG 4.24Å
190N87.4Confident93.2Very high84 Ų8447.5 Ų47.545%0.44924%0.243SC..  trans-64136.6174.7-175.8-49.2000110.2R188 A192 E193 G194R188-N190 PolarHBondContact O-N 3.18Å; N190-A192 VanDerWaalsContact C-N 3.31Å; N190-A192 PolarHBondContact O-N 3.43Å; N190-A192 WeakPolarHBondContact OD1-CB 3.2Å; N190-A192 PolarHBondContact OD1-N 3.5Å; N190-E193 HydrophobicContact CB-CB 4.23Å; N190-E193 HydrophobicContact CB-CG 4.35Å; N190-G194 WeakPolarHBondContact O-CA 3.28Å; N190-G194 PolarHBondContact O-N 2.82Å
191R82.8Confident93.3Very high196 Ų19647.5 Ų47.574%0.7424%0.242SC*.THydrogen-bonded Turntrans-63.1-34.6-179.4-70.9-176177.1172.1-1113.1
192A84.1Confident93.4Very high79 Ų7946.6 Ų46.665%0.65324%0.238SC*.THydrogen-bonded Turntrans-77.1-48.4-178.900000112N190N190-A192 VanDerWaalsContact C-N 3.31Å; N190-A192 PolarHBondContact O-N 3.43Å; N190-A192 WeakPolarHBondContact OD1-CB 3.2Å; N190-A192 PolarHBondContact OD1-N 3.5Å
193E87.1Confident93.5Very high135 Ų13545.9 Ų45.963%0.63123%0.234SC*.THydrogen-bonded Turntrans-78.4-25.4-176.5-60.5177.2174.900113.2R171 N190R171-E193 WeakPolarHBondContact CD-O 3.32Å; R171-E193 PolarHBondContact NH1-O 2.93Å; N190-E193 HydrophobicContact CB-CB 4.23Å; N190-E193 HydrophobicContact CB-CG 4.35Å
194G91.4Very high93.6Very high7 Ų745.7 Ų45.77%0.07223%0.232CC..  trans67.1-158.2-175.300000112.9R171 V172 N190R171-G194 PolarHBondContact NH1-O 3.49Å; V172-G194 CarbonylContact O-C 3.51Å; V172-G194 WeakPolarHBondContact O-CA 3.47Å; N190-G194 WeakPolarHBondContact O-CA 3.28Å; N190-G194 PolarHBondContact O-N 2.82Å
195F93.9Very high93.7Very high20 Ų2046 Ų469%0.08824%0.235CC..EExtended strand (participates in β ladder)trans-144.7162-178.657.4-88.7000111.5R171 V172 R174 V186 A189 V197 M201R171-F195 WeakPolarHBondContact CA-O 3.23Å; V172-F195 HydrophobicContact CG2-CD1 4.39Å; V172-F195 HydrophobicContact CG2-CD2 3.89Å; V172-F195 HydrophobicContact CG2-CE1 4Å; V172-F195 HydrophobicContact CG2-CE2 3.42Å; V172-F195 VanDerWaalsContact CG2-CE2 3.42Å; V172-F195 HydrophobicContact CG2-CG 4.36Å; V172-F195 HydrophobicContact CG2-CZ 3.53Å; V172-F195 PolarHBondContact N-O 2.9Å; V172-F195 PolarHBondContact O-N 2.95Å; R174-F195 HydrophobicContact CB-CE1 4.42Å; V186-F195 HydrophobicContact CG1-CD1 4.25Å; V186-F195 HydrophobicContact CG1-CE1 3.68Å; V186-F195 HydrophobicContact CG1-CZ 3.8Å; V186-F195 HydrophobicContact CG2-CD2 4.37Å; V186-F195 HydrophobicContact CG2-CE2 4.16Å; V186-F195 HydrophobicContact CG2-CZ 4.26Å; A189-F195 HydrophobicContact CB-CB 3.85Å; A189-F195 HydrophobicContact CB-CD1 3.85Å; A189-F195 HydrophobicContact CB-CG 4.24Å; F195-V197 HydrophobicContact CE2-CG2 4.43Å; F195-M201 HydrophobicContact CD2-CE 4.23Å; F195-M201 HydrophobicContact CD2-SD 4.05Å; F195-M201 HydrophobicContact CE2-CE 3.33Å; F195-M201 HydrophobicContact CE2-SD 3.61Å; F195-M201 HydrophobicContact CZ-CE 3.82Å
196L96.1Very high93.9Very high91 Ų9144 Ų4448%0.47623%0.226SC..EExtended strand (participates in β ladder)trans-81.8133.9172.6-66.8175.5000110G169 R171G169-L196 WeakPolarHBondContact O-CD2 3.2Å; R171-L196 HydrophobicContact CB-CD2 4.22Å
197V96.9Very high94.1Very high0 Ų043.6 Ų43.60%022%0.223CC..  trans-76.9126177.5172.10000110.2V138 R140 R166 V168 G169 C170 V172 F195V138-V197 HydrophobicContact CB-CG1 3.48Å; V138-V197 VanDerWaalsContact CB-CG1 3.48Å; V138-V197 HydrophobicContact CG1-CG1 4.01Å; V138-V197 HydrophobicContact CG2-CG1 3.46Å; V138-V197 VanDerWaalsContact CG2-CG1 3.46Å; R140-V197 HydrophobicContact CG-CG1 4.37Å; R166-V197 HydrophobicContact CB-CG1 4.31Å; R166-V197 HydrophobicContact CB-CG2 4.14Å; V168-V197 WeakPolarHBondContact CA-O 3.28Å; G169-V197 PolarHBondContact N-O 3.1Å; C170-V197 WeakPolarHBondContact O-CB 3.48Å; C170-V197 WeakPolarHBondContact O-CG2 3.46Å; C170-V197 PolarHBondContact O-N 3.12Å; V172-V197 HydrophobicContact CB-CG2 4.33Å; V172-V197 HydrophobicContact CG1-CG2 3.79Å; V172-V197 HydrophobicContact CG2-CG2 3.55Å; F195-V197 HydrophobicContact CE2-CG2 4.43Å
198T97.6Very high94.4Very high49 Ų4943.2 Ų43.230%0.30122%0.22SC..  trans-134.6150.8177.557.70000110.4V138 S200 M201V138-T198 WeakPolarHBondContact CG1-O 3.44Å; T198-S200 PolarHBondContact O-N 3.36Å; T198-S200 PolarHBondContact OG1-OG 2.96Å; T198-M201 WeakPolarHBondContact O-CB 3.41Å; T198-M201 WeakPolarHBondContact O-CG 3.19Å; T198-M201 PolarHBondContact O-N 3.2Å
199T98.2Very high94.7Very high49 Ų4936.6 Ų36.630%0.30120%0.195SC..THydrogen-bonded Turntrans-61.4-28.2178.951.90000112.6H133 V138 V168 M201 D202 V203H133-T199 HydrophobicContact CB-CG2 3.81Å; V138-T199 HydrophobicContact CG2-CG2 4.06Å; V168-T199 HydrophobicContact CG2-CG2 3.84Å; T199-M201 PolarHBondContact O-N 2.71Å; T199-D202 PolarHBondContact O-N 2.94Å; T199-V203 PolarHBondContact O-N 3.35Å
200S98.1Very high95.2Very high11 Ų1135.8 Ų35.88%0.07719%0.189CC..Hα-helixtrans-54.4-24.7175.463.80000113.6T198 V203 W204 P269 R272T198-S200 PolarHBondContact O-N 3.36Å; T198-S200 PolarHBondContact OG1-OG 2.96Å; S200-V203 PolarHBondContact O-N 3.4Å; S200-W204 PolarHBondContact O-N 3.44Å; S200-W204 VanDerWaalsContact O-N 3.09Å; S200-P269 WeakPolarHBondContact CB-O 3.46Å; S200-P269 WeakPolarHBondContact OG-CB 3.47Å; S200-R272 WeakPolarHBondContact O-CD 3.38Å; S200-R272 PolarHBondContact O-NH1 2.89Å
201M97.6Very high95.7Very high18 Ų1831.9 Ų31.99%0.08917%0.168CC..Hα-helixtrans-65.8-44.1175-65.6178.561.600112V138 R140 V186 F195 T198 T199 V203 W204 A205V138-M201 HydrophobicContact CG1-CB 4.42Å; R140-M201 HydrophobicContact CG-CE 4.26Å; V186-M201 HydrophobicContact CG2-CE 3.33Å; V186-M201 HydrophobicContact CG2-CG 4.23Å; V186-M201 HydrophobicContact CG2-SD 4.1Å; F195-M201 HydrophobicContact CD2-CE 4.23Å; F195-M201 HydrophobicContact CD2-SD 4.05Å; F195-M201 HydrophobicContact CE2-CE 3.33Å; F195-M201 HydrophobicContact CE2-SD 3.61Å; F195-M201 HydrophobicContact CZ-CE 3.82Å; T198-M201 WeakPolarHBondContact O-CB 3.41Å; T198-M201 WeakPolarHBondContact O-CG 3.19Å; T198-M201 PolarHBondContact O-N 3.2Å; T199-M201 PolarHBondContact O-N 2.71Å; M201-V203 VanDerWaalsContact C-N 3.35Å; M201-W204 PolarHBondContact O-N 3.44Å; M201-A205 PolarHBondContact O-N 3.27Å
202D98.6Very high96.4Very high1 Ų123 Ų231%0.00514%0.136CC..Hα-helixtrans-70.5-35.2177.1-68.7-19.8000110.6L129 H133 V138 H139 R140 V142 T199 W204 A205 F206L129-D202 HydrophobicContact CD1-CB 4.45Å; L129-D202 HydrophobicContact CD2-CB 4.19Å; H133-D202 IonicContact CD2-OD2 2.68Å; H133-D202 IonicContact CE1-OD2 2.7Å; H133-D202 WeakPolarHBondContact NE2-CB 3.42Å; H133-D202 IonicContact NE2-OD2 3.97Å; H133-D202 PolarHBondContact NE2-OD2 3.06Å; V138-D202 WeakPolarHBondContact CA-OD2 3.49Å; V138-D202 VanDerWaalsContact CG1-OD2 3.27Å; V138-D202 WeakPolarHBondContact CG1-OD2 3.49Å; H139-D202 PolarHBondContact N-OD1 2.93Å; H139-D202 PolarHBondContact N-OD2 2.75Å; R140-D202 PolarHBondContact N-OD1 3.13Å; V142-D202 HydrophobicContact CG2-CB 4.29Å; T199-D202 PolarHBondContact O-N 2.94Å; D202-W204 VanDerWaalsContact C-N 3.3Å; D202-W204 PolarHBondContact O-N 3.04Å; D202-A205 PolarHBondContact O-N 3.25Å; D202-F206 WeakPolarHBondContact O-CB 3.09Å; D202-F206 PolarHBondContact O-N 3.38Å
203V98.7Very high97.1Very high4 Ų419.2 Ų19.22%0.02411%0.105CC..Hα-helixtrans-59.2-43.7174.9-178.80000110.9T199 S200 M201 F206 G207 L264 R272 C273 V275T199-V203 PolarHBondContact O-N 3.35Å; S200-V203 PolarHBondContact O-N 3.4Å; M201-V203 VanDerWaalsContact C-N 3.35Å; V203-F206 WeakPolarHBondContact O-CB 3.37Å; V203-F206 PolarHBondContact O-N 3.49Å; V203-G207 PolarHBondContact O-N 3.15Å; V203-L264 HydrophobicContact CG1-CD2 3.75Å; V203-R272 HydrophobicContact CG1-CB 4.15Å; V203-C273 VanDerWaalsContact CG1-O 3.23Å; V203-C273 WeakPolarHBondContact CG1-O 3.47Å; V203-C273 WeakPolarHBondContact CG2-O 3.4Å; V203-V275 HydrophobicContact CB-CG1 4.47Å; V203-V275 HydrophobicContact CG2-CG1 3.9Å
204W98.6Very high97.6Very high0 Ų013.3 Ų13.30%08%0.077CC..Hα-helixtrans-60.6-53.4176.1176.7-84000111.5Y181 T182 A183 P184 S200 M201 D202 F206 G207 V208 W220 A223 Y230 L265Y181-W204 VanDerWaalsContact O-CD1 3.3Å; T182-W204 PolarHBondContact O-NE1 2.67Å; A183-W204 VanDerWaalsContact CA-CD1 3.46Å; A183-W204 HydrophobicContact CB-CB 3.87Å; A183-W204 HydrophobicContact CB-CD2 4.25Å; A183-W204 HydrophobicContact CB-CG 3.68Å; P184-W204 HydrophobicContact CG-CD2 4.4Å; P184-W204 HydrophobicContact CG-CE3 4.07Å; P184-W204 HydrophobicContact CG-CH2 3.56Å; P184-W204 HydrophobicContact CG-CZ2 3.83Å; P184-W204 HydrophobicContact CG-CZ3 3.63Å; S200-W204 PolarHBondContact O-N 3.44Å; S200-W204 VanDerWaalsContact O-N 3.09Å; M201-W204 PolarHBondContact O-N 3.44Å; D202-W204 VanDerWaalsContact C-N 3.3Å; D202-W204 PolarHBondContact O-N 3.04Å; W204-F206 VanDerWaalsContact C-N 3.27Å; W204-F206 PolarHBondContact O-N 2.74Å; W204-G207 PolarHBondContact O-N 3.45Å; W204-V208 PolarHBondContact O-N 3.47Å; W204-W220 AromaticContact CH2-CH2 3.94Å; W204-W220 HydrophobicContact CH2-CH2 3.94Å; W204-W220 AromaticContact CH2-CZ2 3.63Å; W204-W220 HydrophobicContact CH2-CZ2 3.63Å; W204-W220 AromaticContact CZ2-CE2 3.76Å; W204-W220 AromaticContact CZ2-CH2 3.97Å; W204-W220 HydrophobicContact CZ2-CH2 3.97Å; W204-W220 AromaticContact CZ2-CZ2 3.18Å; W204-W220 HydrophobicContact CZ2-CZ2 3.18Å; W204-A223 HydrophobicContact CH2-CB 4.34Å; W204-A223 HydrophobicContact CZ2-CB 3.55Å; W204-Y230 HydrophobicContact CH2-CD2 4.39Å; W204-Y230 AromaticContact CH2-CE2 3.73Å; W204-Y230 HydrophobicContact CH2-CE2 3.73Å; W204-Y230 HydrophobicContact CZ2-CE2 4.19Å; W204-L265 HydrophobicContact CD2-CD2 3.8Å; W204-L265 HydrophobicContact CE3-CB 4.26Å; W204-L265 HydrophobicContact CE3-CD2 3.89Å; W204-L265 HydrophobicContact CG-CD2 4.21Å; W204-L265 HydrophobicContact CH2-CB 4.39Å; W204-L265 HydrophobicContact CH2-CD2 4.4Å; W204-L265 HydrophobicContact CZ2-CD2 4.41Å; W204-L265 HydrophobicContact CZ3-CB 3.97Å; W204-L265 HydrophobicContact CZ3-CD2 4.21Å; W204-L265 VanDerWaalsContact CZ3-O 3.24Å; W204-L265 WeakPolarHBondContact CZ3-O 3.38Å; W204-L265 VanDerWaalsContact O-CD2 3.25Å; W204-L265 WeakPolarHBondContact O-CD2 3.37Å
205A98.5Very high97.8Very high7 Ų713 Ų136%0.0587%0.074CC..Hα-helixtrans-60.9-37.2-179.200000112V142 M201 D202 V208 L209V142-A205 HydrophobicContact CB-CB 3.82Å; V142-A205 HydrophobicContact CG1-CB 4.43Å; M201-A205 PolarHBondContact O-N 3.27Å; D202-A205 PolarHBondContact O-N 3.25Å; A205-V208 PolarHBondContact O-N 3.11Å; A205-L209 WeakPolarHBondContact O-CB 3.27Å; A205-L209 PolarHBondContact O-N 3.46Å
206F98.8Very high98Very high0 Ų012.6 Ų12.60%08%0.076CC..Hα-helixtrans-60.2-43172.1-178.8-92.3000112.4M122 L125 L129 D202 V203 W204 L209 L210 L264 V275 I278M122-F206 HydrophobicContact CB-CE2 4.45Å; M122-F206 HydrophobicContact CB-CZ 4.06Å; M122-F206 HydrophobicContact CE-CD1 3.89Å; M122-F206 HydrophobicContact CE-CD2 3.39Å; M122-F206 HydrophobicContact CE-CE1 3.73Å; M122-F206 HydrophobicContact CE-CE2 3.21Å; M122-F206 HydrophobicContact CE-CG 3.74Å; M122-F206 HydrophobicContact CE-CZ 3.4Å; M122-F206 VanDerWaalsContact CE-O 3.29Å; M122-F206 WeakPolarHBondContact CE-O 3.23Å; M122-F206 HydrophobicContact SD-CE2 4.16Å; M122-F206 HydrophobicContact SD-CZ 4.47Å; L125-F206 HydrophobicContact CB-CE2 4.13Å; L125-F206 HydrophobicContact CD2-CD2 3.88Å; L125-F206 HydrophobicContact CD2-CE2 4.09Å; L125-F206 HydrophobicContact CG-CD2 3.97Å; L125-F206 HydrophobicContact CG-CE2 3.96Å; L129-F206 HydrophobicContact CD1-CB 4.14Å; L129-F206 HydrophobicContact CD1-CD2 3.73Å; L129-F206 HydrophobicContact CD1-CG 4.29Å; D202-F206 WeakPolarHBondContact O-CB 3.09Å; D202-F206 PolarHBondContact O-N 3.38Å; V203-F206 WeakPolarHBondContact O-CB 3.37Å; V203-F206 PolarHBondContact O-N 3.49Å; W204-F206 VanDerWaalsContact C-N 3.27Å; W204-F206 PolarHBondContact O-N 2.74Å; F206-L209 PolarHBondContact O-N 2.84Å; F206-L210 PolarHBondContact O-N 2.76Å; F206-L264 HydrophobicContact CD1-CD1 4.29Å; F206-L264 HydrophobicContact CD1-CD2 4.1Å; F206-L264 HydrophobicContact CE1-CD1 4.41Å; F206-L264 HydrophobicContact CE1-CD2 4.46Å; F206-V275 HydrophobicContact CG-CG1 4.38Å; F206-I278 HydrophobicContact CE1-CB 4.13Å; F206-I278 HydrophobicContact CE1-CG1 4.15Å; F206-I278 HydrophobicContact CE1-CG2 4.45Å; F206-I278 HydrophobicContact CZ-CB 4.31Å; F206-I278 HydrophobicContact CZ-CG1 4.19Å; F206-I278 HydrophobicContact CZ-CG2 4.21Å
207G98.4Very high98Very high0 Ų09.9 Ų9.90%06%0.062CC..Hα-helixtrans-65-42.117500000113.1V203 W204 L209 L210 F211 F261V203-G207 PolarHBondContact O-N 3.15Å; W204-G207 PolarHBondContact O-N 3.45Å; G207-L209 VanDerWaalsContact C-N 3.33Å; G207-L210 PolarHBondContact O-N 3.22Å; G207-F211 PolarHBondContact O-N 3.43Å; G207-F211 VanDerWaalsContact O-N 3.13Å; G207-F261 WeakPolarHBondContact O-CE1 3.22Å
208V98.6Very high98Very high0 Ų013.6 Ų13.60%08%0.078CC..Hα-helixtrans-64.1-41.2175.5176.70000110.6Y181 W204 A205 F211 C212 F218 P219 W220 L265Y181-V208 HydrophobicContact CD1-CB 3.89Å; Y181-V208 HydrophobicContact CD1-CG1 3.59Å; Y181-V208 HydrophobicContact CE1-CB 4.35Å; Y181-V208 HydrophobicContact CE1-CG1 3.82Å; Y181-V208 HydrophobicContact CG-CG1 4.28Å; W204-V208 PolarHBondContact O-N 3.47Å; A205-V208 PolarHBondContact O-N 3.11Å; V208-F211 WeakPolarHBondContact O-CB 3.15Å; V208-F211 PolarHBondContact O-N 3.33Å; V208-C212 WeakPolarHBondContact O-CB 3.43Å; V208-C212 PolarHBondContact O-N 3.12Å; V208-F218 HydrophobicContact CG1-CD1 4.47Å; V208-P219 HydrophobicContact CG1-CG 4.07Å; V208-P219 HydrophobicContact CG2-CG 4.43Å; V208-W220 HydrophobicContact CG2-CZ2 3.91Å; V208-L265 HydrophobicContact CG2-CD2 3.86Å
209L98.6Very high97.9Very high0 Ų011.3 Ų11.30%06%0.064CC..Hα-helixtrans-63.4-43176.6179.456.1000112.4L103 M122 L125 V142 P144 V147 Y181 A205 F206 G207 F211 C212 M213L103-L209 HydrophobicContact CD2-CD1 4.1Å; L103-L209 HydrophobicContact CD2-CD2 4.43Å; M122-L209 HydrophobicContact CE-CG 4.48Å; M122-L209 HydrophobicContact SD-CG 4.49Å; L125-L209 HydrophobicContact CD2-CD2 3.52Å; V142-L209 HydrophobicContact CG1-CD2 4.16Å; P144-L209 HydrophobicContact CB-CD1 4.34Å; P144-L209 HydrophobicContact CG-CD1 3.55Å; V147-L209 HydrophobicContact CG2-CD2 4.23Å; Y181-L209 HydrophobicContact CE1-CB 4.07Å; Y181-L209 HydrophobicContact CE1-CD1 4.38Å; A205-L209 WeakPolarHBondContact O-CB 3.27Å; A205-L209 PolarHBondContact O-N 3.46Å; F206-L209 PolarHBondContact O-N 2.84Å; G207-L209 VanDerWaalsContact C-N 3.33Å; L209-F211 VanDerWaalsContact C-N 3.33Å; L209-F211 PolarHBondContact O-N 3.47Å; L209-C212 WeakPolarHBondContact O-CB 3.3Å; L209-C212 PolarHBondContact O-N 2.92Å; L209-C212 VanDerWaalsContact O-N 3.12Å; L209-M213 HydrophobicContact CD1-CG 3.99Å; L209-M213 HydrophobicContact CD1-SD 4.19Å; L209-M213 HydrophobicContact CG-CG 4.36Å; L209-M213 HydrophobicContact CG-SD 4.01Å; L209-M213 WeakPolarHBondContact O-CB 3.4Å; L209-M213 VanDerWaalsContact O-CG 3.29Å; L209-M213 WeakPolarHBondContact O-CG 3.48Å; L209-M213 PolarHBondContact O-N 3.13Å
210L98.4Very high97.9Very high1 Ų19.1 Ų9.11%0.0055%0.05CC..Hα-helixtrans-58.4-45.4174.8176.146.5000111.5V118 M122 F206 G207 C212 M213 L214 M260 F261 L264 I278 L286V118-L210 HydrophobicContact CG1-CD1 3.49Å; V118-L210 VanDerWaalsContact CG1-CD1 3.49Å; M122-L210 HydrophobicContact CE-CB 3.77Å; M122-L210 HydrophobicContact CG-CD1 4Å; F206-L210 PolarHBondContact O-N 2.76Å; G207-L210 PolarHBondContact O-N 3.22Å; L210-C212 VanDerWaalsContact C-N 3.33Å; L210-C212 PolarHBondContact O-N 2.61Å; L210-M213 PolarHBondContact O-N 2.99Å; L210-L214 HydrophobicContact CD1-CD1 3.65Å; L210-L214 HydrophobicContact CD1-CG 4.03Å; L210-L214 HydrophobicContact CG-CD1 4.24Å; L210-L214 WeakPolarHBondContact O-CG 3.34Å; L210-L214 PolarHBondContact O-N 2.95Å; L210-L214 VanDerWaalsContact O-N 3.11Å; L210-M260 HydrophobicContact CD2-CE 3.38Å; L210-M260 HydrophobicContact CD2-SD 3.94Å; L210-M260 HydrophobicContact CG-CE 4.33Å; L210-F261 HydrophobicContact CB-CE1 4.02Å; L210-F261 HydrophobicContact CB-CZ 4.37Å; L210-F261 HydrophobicContact CD2-CE1 4.13Å; L210-F261 HydrophobicContact CD2-CZ 4.26Å; L210-F261 HydrophobicContact CG-CE1 3.8Å; L210-F261 HydrophobicContact CG-CZ 3.75Å; L210-L264 HydrophobicContact CD2-CD1 4.28Å; L210-I278 HydrophobicContact CD2-CD1 3.65Å; L210-L286 HydrophobicContact CD1-CD1 4.39Å
211F98.1Very high97.8Very high1 Ų115.2 Ų15.20%0.0048%0.077CC..Hα-helixtrans-58.6-47.5173.8179.1-76.8000111G207 V208 L209 M213 L214 T215 N217 P219 Q249 W250 F253 F261G207-F211 PolarHBondContact O-N 3.43Å; G207-F211 VanDerWaalsContact O-N 3.13Å; V208-F211 WeakPolarHBondContact O-CB 3.15Å; V208-F211 PolarHBondContact O-N 3.33Å; L209-F211 VanDerWaalsContact C-N 3.33Å; L209-F211 PolarHBondContact O-N 3.47Å; F211-M213 PolarHBondContact O-N 2.88Å; F211-L214 PolarHBondContact O-N 3.4Å; F211-T215 HydrophobicContact CD1-CG2 4.41Å; F211-T215 WeakPolarHBondContact CD1-OG1 3.44Å; F211-T215 HydrophobicContact CE1-CG2 4.16Å; F211-T215 VanDerWaalsContact CE1-OG1 3.22Å; F211-T215 WeakPolarHBondContact CE1-OG1 3.36Å; F211-T215 HydrophobicContact CE2-CG2 4.44Å; F211-T215 HydrophobicContact CZ-CG2 4.16Å; F211-T215 WeakPolarHBondContact O-CB 3.48Å; F211-T215 WeakPolarHBondContact O-CG2 3.43Å; F211-T215 PolarHBondContact O-N 3.27Å; F211-T215 VanDerWaalsContact O-N 3.15Å; F211-T215 PolarHBondContact O-OG1 3.03Å; F211-N217 VanDerWaalsContact CD1-O 3.31Å; F211-N217 WeakPolarHBondContact CD1-O 3.3Å; F211-N217 HydrophobicContact CE1-CB 4.11Å; F211-N217 WeakPolarHBondContact CE1-O 3.37Å; F211-P219 HydrophobicContact CD1-CB 3.9Å; F211-P219 HydrophobicContact CD1-CG 4.09Å; F211-P219 HydrophobicContact CD2-CB 4.05Å; F211-P219 HydrophobicContact CE1-CB 3.96Å; F211-P219 HydrophobicContact CE2-CB 4.07Å; F211-P219 HydrophobicContact CG-CB 3.98Å; F211-P219 HydrophobicContact CG-CG 4.24Å; F211-P219 HydrophobicContact CZ-CB 4.06Å; F211-Q249 HydrophobicContact CE2-CB 4.25Å; F211-Q249 HydrophobicContact CZ-CB 3.97Å; F211-W250 HydrophobicContact CB-CH2 4.41Å; F211-W250 HydrophobicContact CD2-CD2 4.24Å; F211-W250 AromaticContact CD2-CE3 4Å; F211-W250 HydrophobicContact CD2-CE3 4Å; F211-W250 AromaticContact CD2-CH2 3.6Å; F211-W250 HydrophobicContact CD2-CH2 3.6Å; F211-W250 AromaticContact CD2-CZ2 3.93Å; F211-W250 HydrophobicContact CD2-CZ2 3.93Å; F211-W250 AromaticContact CD2-CZ3 3.61Å; F211-W250 HydrophobicContact CD2-CZ3 3.61Å; F211-W250 HydrophobicContact CE2-CD2 4.1Å; F211-W250 HydrophobicContact CE2-CE3 4.24Å; F211-W250 HydrophobicContact CE2-CH2 4.31Å; F211-W250 HydrophobicContact CE2-CZ2 4.23Å; F211-W250 HydrophobicContact CE2-CZ3 4.28Å; F211-W250 HydrophobicContact CG-CH2 4.33Å; F211-F253 AromaticContact CD2-CE2 3.53Å; F211-F253 HydrophobicContact CD2-CE2 3.53Å; F211-F253 AromaticContact CD2-CZ 3.69Å; F211-F253 HydrophobicContact CD2-CZ 3.69Å; F211-F253 AromaticContact CE2-CE2 3.56Å; F211-F253 HydrophobicContact CE2-CE2 3.56Å; F211-F253 AromaticContact CE2-CZ 3.94Å; F211-F253 HydrophobicContact CE2-CZ 3.94Å; F211-F253 HydrophobicContact CG-CZ 4.42Å; F211-F261 HydrophobicContact CB-CE1 3.98Å; F211-F261 HydrophobicContact CB-CZ 4.14Å
212C98.2Very high97.7Very high10 Ų1015.5 Ų15.57%0.0688%0.082CC..Hα-helixtrans-60.8-45.7-178.5-173.50000112V208 L209 L210 L214 T215 G216 N217V208-C212 WeakPolarHBondContact O-CB 3.43Å; V208-C212 PolarHBondContact O-N 3.12Å; L209-C212 WeakPolarHBondContact O-CB 3.3Å; L209-C212 PolarHBondContact O-N 2.92Å; L209-C212 VanDerWaalsContact O-N 3.12Å; L210-C212 VanDerWaalsContact C-N 3.33Å; L210-C212 PolarHBondContact O-N 2.61Å; C212-L214 VanDerWaalsContact C-N 3.33Å; C212-L214 PolarHBondContact O-N 2.88Å; C212-T215 PolarHBondContact O-N 3.43Å; C212-G216 WeakPolarHBondContact O-CA 3.45Å; C212-G216 PolarHBondContact O-N 3.33Å; C212-N217 VanDerWaalsContact CA-O 3.25Å; C212-N217 WeakPolarHBondContact CA-O 3.21Å
213M98.3Very high97.6Very high0 Ų015.4 Ų15.40%08%0.082CC..Hα-helixtrans-62-38.1177.5-71.5173.674.400112.8L103 I107 G112 L113 V118 C121 M122 L209 L210 F211 T215L103-M213 HydrophobicContact CD1-CE 4.08Å; L103-M213 HydrophobicContact CD2-CE 4.03Å; L103-M213 HydrophobicContact CD2-CG 4.15Å; L103-M213 HydrophobicContact CD2-SD 3.76Å; I107-M213 HydrophobicContact CD1-CG 3.86Å; I107-M213 HydrophobicContact CG1-CG 4.48Å; G112-M213 CarbonylContact C-O 3.51Å; G112-M213 VanDerWaalsContact CA-O 3.3Å; G112-M213 WeakPolarHBondContact CA-O 3.37Å; L113-M213 HydrophobicContact CD1-CE 4.03Å; L113-M213 HydrophobicContact CD1-CG 4.47Å; L113-M213 PolarHBondContact N-O 2.85Å; V118-M213 HydrophobicContact CB-CE 4.22Å; V118-M213 HydrophobicContact CG1-CB 3.9Å; V118-M213 HydrophobicContact CG1-CE 3.97Å; V118-M213 HydrophobicContact CG1-SD 4.31Å; V118-M213 HydrophobicContact CG2-CB 3.85Å; V118-M213 HydrophobicContact CG2-CE 4.2Å; C121-M213 HydrophobicContact CB-CE 3.5Å; C121-M213 VanDerWaalsContact SG-CE 3.52Å; M122-M213 HydrophobicContact CG-CE 4.49Å; M122-M213 HydrophobicContact CG-SD 4.1Å; M122-M213 HydrophobicContact SD-CE 4.33Å; M122-M213 HydrophobicContact SD-SD 3.44Å; L209-M213 HydrophobicContact CD1-CG 3.99Å; L209-M213 HydrophobicContact CD1-SD 4.19Å; L209-M213 HydrophobicContact CG-CG 4.36Å; L209-M213 HydrophobicContact CG-SD 4.01Å; L209-M213 WeakPolarHBondContact O-CB 3.4Å; L209-M213 VanDerWaalsContact O-CG 3.29Å; L209-M213 WeakPolarHBondContact O-CG 3.48Å; L209-M213 PolarHBondContact O-N 3.13Å; L210-M213 PolarHBondContact O-N 2.99Å; F211-M213 PolarHBondContact O-N 2.88Å; M213-T215 VanDerWaalsContact C-N 3.32Å; M213-T215 PolarHBondContact O-N 3.4Å
214L97.5Very high97.4Very high11 Ų1118 Ų186%0.05810%0.095CC..Hα-helixtrans-77.5-15.8180-70.1170.6000113.8E115 V118 L210 F211 C212 F253 F261 L286 V287E115-L214 HydrophobicContact CG-CD2 4.26Å; V118-L214 HydrophobicContact CB-CD2 3.97Å; V118-L214 HydrophobicContact CG1-CD2 3.94Å; V118-L214 HydrophobicContact CG1-CG 4.05Å; V118-L214 HydrophobicContact CG2-CD2 3.88Å; V118-L214 HydrophobicContact CG2-CG 4.42Å; L210-L214 HydrophobicContact CD1-CD1 3.65Å; L210-L214 HydrophobicContact CD1-CG 4.03Å; L210-L214 HydrophobicContact CG-CD1 4.24Å; L210-L214 WeakPolarHBondContact O-CG 3.34Å; L210-L214 PolarHBondContact O-N 2.95Å; L210-L214 VanDerWaalsContact O-N 3.11Å; F211-L214 PolarHBondContact O-N 3.4Å; C212-L214 VanDerWaalsContact C-N 3.33Å; C212-L214 PolarHBondContact O-N 2.88Å; L214-F253 HydrophobicContact CB-CE1 3.92Å; L214-F253 HydrophobicContact CB-CZ 4.47Å; L214-F253 HydrophobicContact CD1-CD1 4.27Å; L214-F253 HydrophobicContact CD1-CE1 3.65Å; L214-F253 HydrophobicContact CG-CE1 4.43Å; L214-F261 HydrophobicContact CD1-CZ 4.25Å; L214-L286 HydrophobicContact CD1-CB 4.15Å; L214-L286 HydrophobicContact CD1-CD1 4.17Å; L214-L286 HydrophobicContact CD2-CD1 4.46Å; L214-V287 HydrophobicContact CB-CG2 4.43Å; L214-V287 HydrophobicContact CD2-CG2 4.01Å
215T96.6Very high97.1Very high0 Ų021.7 Ų21.70%012%0.119CC..Hα-helixtrans-131.3-15.8-16766.40000115.3Q110 V111 F211 C212 M213 N217 F253Q110-T215 CarbonylContact C-O 3.18Å; V111-T215 PolarHBondContact N-O 2.94Å; F211-T215 HydrophobicContact CD1-CG2 4.41Å; F211-T215 WeakPolarHBondContact CD1-OG1 3.44Å; F211-T215 HydrophobicContact CE1-CG2 4.16Å; F211-T215 VanDerWaalsContact CE1-OG1 3.22Å; F211-T215 WeakPolarHBondContact CE1-OG1 3.36Å; F211-T215 HydrophobicContact CE2-CG2 4.44Å; F211-T215 HydrophobicContact CZ-CG2 4.16Å; F211-T215 WeakPolarHBondContact O-CB 3.48Å; F211-T215 WeakPolarHBondContact O-CG2 3.43Å; F211-T215 PolarHBondContact O-N 3.27Å; F211-T215 VanDerWaalsContact O-N 3.15Å; F211-T215 PolarHBondContact O-OG1 3.03Å; C212-T215 PolarHBondContact O-N 3.43Å; M213-T215 VanDerWaalsContact C-N 3.32Å; M213-T215 PolarHBondContact O-N 3.4Å; T215-N217 PolarHBondContact O-N 3.33Å; T215-N217 PolarHBondContact O-ND2 3.05Å; T215-N217 PolarHBondContact OG1-N 3.35Å; T215-N217 VanDerWaalsContact OG1-N 3.15Å; T215-N217 PolarHBondContact OG1-O 3.39Å; T215-F253 HydrophobicContact CG2-CE1 4.23Å; T215-F253 HydrophobicContact CG2-CZ 3.63Å
216G96.8Very high97Very high12 Ų1226.3 Ų26.312%0.12416%0.157CC..SBendtrans61.220.5-169.300000113.2P108 Q110 G112 C212P108-G216 WeakPolarHBondContact O-CA 3.47Å; Q110-G216 PolarHBondContact N-O 3.17Å; G112-G216 VanDerWaalsContact CA-N 3.31Å; C212-G216 WeakPolarHBondContact O-CA 3.45Å; C212-G216 PolarHBondContact O-N 3.33Å
217N96.1Very high96.9Very high34 Ų3427.2 Ų27.218%0.18216%0.161CC..SBendtrans-131.6159.8-175.9-79.7-74.4000111.4Q110 F211 C212 T215Q110-N217 PolarHBondContact NE2-OD1 3.29Å; Q110-N217 PolarHBondContact OE1-ND2 2.97Å; Q110-N217 PolarHBondContact OE1-OD1 2.95Å; F211-N217 VanDerWaalsContact CD1-O 3.31Å; F211-N217 WeakPolarHBondContact CD1-O 3.3Å; F211-N217 HydrophobicContact CE1-CB 4.11Å; F211-N217 WeakPolarHBondContact CE1-O 3.37Å; C212-N217 VanDerWaalsContact CA-O 3.25Å; C212-N217 WeakPolarHBondContact CA-O 3.21Å; T215-N217 PolarHBondContact O-N 3.33Å; T215-N217 PolarHBondContact O-ND2 3.05Å; T215-N217 PolarHBondContact OG1-N 3.35Å; T215-N217 VanDerWaalsContact OG1-N 3.15Å; T215-N217 PolarHBondContact OG1-O 3.39Å
218F97Very high96.8Very high78 Ų7830.9 Ų30.934%0.34219%0.192SC..  trans-90.2142165.2-70.2-64.8000111.2P180 Y181 V208 W220 Q249P180-F218 HydrophobicContact CB-CB 4.16Å; P180-F218 HydrophobicContact CB-CD1 3.35Å; P180-F218 HydrophobicContact CB-CD2 4.39Å; P180-F218 HydrophobicContact CB-CE1 3.71Å; P180-F218 HydrophobicContact CB-CG 3.73Å; P180-F218 HydrophobicContact CB-CZ 4.39Å; P180-F218 HydrophobicContact CG-CB 4.32Å; P180-F218 HydrophobicContact CG-CD1 3.76Å; P180-F218 HydrophobicContact CG-CD2 3.9Å; P180-F218 HydrophobicContact CG-CE1 3.93Å; P180-F218 HydrophobicContact CG-CE2 4.1Å; P180-F218 HydrophobicContact CG-CG 3.73Å; P180-F218 HydrophobicContact CG-CZ 4.11Å; Y181-F218 HydrophobicContact CD2-CE1 4.31Å; Y181-F218 HydrophobicContact CE1-CE1 4.27Å; Y181-F218 AromaticContact CE2-CE1 3.49Å; Y181-F218 HydrophobicContact CE2-CE1 3.49Å; Y181-F218 VanDerWaalsContact CE2-CE1 3.49Å; Y181-F218 AromaticContact CE2-CZ 3.92Å; Y181-F218 HydrophobicContact CE2-CZ 3.92Å; Y181-F218 AromaticContact CZ-CE1 3.46Å; Y181-F218 VanDerWaalsContact CZ-CE1 3.46Å; Y181-F218 VanDerWaalsContact OH-CE1 3.3Å; Y181-F218 WeakPolarHBondContact OH-CE1 3.43Å; V208-F218 HydrophobicContact CG1-CD1 4.47Å; F218-W220 WeakPolarHBondContact CB-O 3.33Å; F218-W220 PolarHBondContact O-N 3.44Å; F218-Q249 PolarHBondContact O-NE2 2.92Å; F218-Q249 PolarHBondContact O-OE1 3.33Å
219P97.1Very high96.7Very high0 Ų035.4 Ų35.40%021%0.212CC..SBendtrans-68.6-17.9176.729.7-34.2000112.8V208 F211 F229 Q249 W250V208-P219 HydrophobicContact CG1-CG 4.07Å; V208-P219 HydrophobicContact CG2-CG 4.43Å; F211-P219 HydrophobicContact CD1-CB 3.9Å; F211-P219 HydrophobicContact CD1-CG 4.09Å; F211-P219 HydrophobicContact CD2-CB 4.05Å; F211-P219 HydrophobicContact CE1-CB 3.96Å; F211-P219 HydrophobicContact CE2-CB 4.07Å; F211-P219 HydrophobicContact CG-CB 3.98Å; F211-P219 HydrophobicContact CG-CG 4.24Å; F211-P219 HydrophobicContact CZ-CB 4.06Å; P219-F229 VanDerWaalsContact O-CB 3.25Å; P219-F229 WeakPolarHBondContact O-CB 3.47Å; P219-Q249 PolarHBondContact O-NE2 3.24Å; P219-W250 HydrophobicContact CB-CH2 4.41Å; P219-W250 HydrophobicContact CB-CZ2 3.7Å
220W97.3Very high96.6Very high3 Ų335.4 Ų35.41%0.01121%0.212CC..  trans-168.7163.4179.240.970.8000109.2P180 W204 V208 F218 D227 F229 Y230 F233 W250 L265P180-W220 WeakPolarHBondContact CB-O 3.42Å; P180-W220 PolarHBondContact O-NE1 3.4Å; W204-W220 AromaticContact CH2-CH2 3.94Å; W204-W220 HydrophobicContact CH2-CH2 3.94Å; W204-W220 AromaticContact CH2-CZ2 3.63Å; W204-W220 HydrophobicContact CH2-CZ2 3.63Å; W204-W220 AromaticContact CZ2-CE2 3.76Å; W204-W220 AromaticContact CZ2-CH2 3.97Å; W204-W220 HydrophobicContact CZ2-CH2 3.97Å; W204-W220 AromaticContact CZ2-CZ2 3.18Å; W204-W220 HydrophobicContact CZ2-CZ2 3.18Å; V208-W220 HydrophobicContact CG2-CZ2 3.91Å; F218-W220 WeakPolarHBondContact CB-O 3.33Å; F218-W220 PolarHBondContact O-N 3.44Å; W220-D227 WeakPolarHBondContact CB-OD1 3.48Å; W220-D227 WeakPolarHBondContact CB-OD2 3.07Å; W220-F229 HydrophobicContact CB-CB 4.36Å; W220-Y230 AromaticContact CD2-CD2 3.96Å; W220-Y230 HydrophobicContact CD2-CD2 3.96Å; W220-Y230 AromaticContact CE3-CD2 3.97Å; W220-Y230 HydrophobicContact CE3-CD2 3.97Å; W220-Y230 HydrophobicContact CH2-CD2 4.44Å; W220-Y230 HydrophobicContact CZ2-CD2 4.48Å; W220-Y230 HydrophobicContact CZ3-CD2 4.2Å; W220-F233 HydrophobicContact CE3-CB 4.45Å; W220-F233 AromaticContact CH2-CD1 3.91Å; W220-F233 HydrophobicContact CH2-CD1 3.91Å; W220-F233 HydrophobicContact CH2-CE1 4.02Å; W220-F233 HydrophobicContact CH2-CG 4.29Å; W220-F233 HydrophobicContact CH2-CZ 4.48Å; W220-F233 HydrophobicContact CZ3-CB 3.88Å; W220-F233 AromaticContact CZ3-CD1 3.64Å; W220-F233 HydrophobicContact CZ3-CD1 3.64Å; W220-F233 HydrophobicContact CZ3-CD2 4.21Å; W220-F233 HydrophobicContact CZ3-CE1 4.19Å; W220-F233 AromaticContact CZ3-CG 3.65Å; W220-F233 HydrophobicContact CZ3-CG 3.65Å; W220-W250 AromaticContact CH2-CZ2 3.99Å; W220-W250 HydrophobicContact CH2-CZ2 3.99Å; W220-W250 AromaticContact CZ3-CZ2 3.77Å; W220-W250 HydrophobicContact CZ3-CZ2 3.77Å; W220-L265 HydrophobicContact CH2-CD1 4.06Å; W220-L265 HydrophobicContact CZ2-CD2 4.49Å
221E95.7Very high96.5Very high139 Ų13936.2 Ų36.265%0.6522%0.216SC*.SBendtrans-79.9-39.3170.6-63.8-176.7172.300111P180 D227P180-E221 WeakPolarHBondContact CA-O 3.2Å; E221-D227 PolarHBondContact N-OD2 3.19Å
222A95.5Very high96.3Very high24 Ų2439.2 Ų39.220%0.19823%0.229CC..  trans-144.6139.9177.700000111.5T178 M224 D227T178-A222 HydrophobicContact CG2-CB 3.71Å; A222-M224 HydrophobicContact CB-CB 4.43Å; A222-M224 HydrophobicContact CB-CG 4.41Å; A222-M224 PolarHBondContact O-N 2.85Å; A222-D227 PolarHBondContact N-OD2 3.35Å; A222-D227 VanDerWaalsContact N-OD2 3.1Å; A222-D227 WeakPolarHBondContact O-CB 3.45Å
223A96.4Very high96.1Very high0 Ų038.8 Ų38.80%023%0.226CC..SBendtrans-76.657.317600000112.4P184 W204 Y230P184-A223 HydrophobicContact CB-CB 4.34Å; P184-A223 HydrophobicContact CG-CB 3.92Å; W204-A223 HydrophobicContact CH2-CB 4.34Å; W204-A223 HydrophobicContact CZ2-CB 3.55Å; A223-Y230 HydrophobicContact CB-CD2 3.9Å; A223-Y230 HydrophobicContact CB-CE2 3.8Å; A223-Y230 HydrophobicContact CB-CG 4.48Å
224M94.8Very high95.9Very high58 Ų5841.8 Ų41.829%0.28624%0.238SC..SBendtrans-133.4149.6-173.2-72.7-65.3-77.400111.2C187 R188 A222 A226 D227 Y230C187-M224 HydrophobicContact CB-CG 3.77Å; C187-M224 HydrophobicContact CB-SD 3.42Å; C187-M224 WeakPolarHBondContact CB-SD 3.34Å; R188-M224 HydrophobicContact CG-CE 4.33Å; R188-M224 HydrophobicContact CG-SD 3.88Å; A222-M224 HydrophobicContact CB-CB 4.43Å; A222-M224 HydrophobicContact CB-CG 4.41Å; A222-M224 PolarHBondContact O-N 2.85Å; M224-A226 PolarHBondContact O-N 2.99Å; M224-D227 WeakPolarHBondContact O-CB 3.48Å; M224-D227 PolarHBondContact O-N 3.06Å; M224-Y230 VanDerWaalsContact C-CD1 3.45Å; M224-Y230 VanDerWaalsContact N-CD1 3.32Å; M224-Y230 VanDerWaalsContact O-CD1 3.26Å; M224-Y230 WeakPolarHBondContact O-CD1 3.25Å
225P93.3Very high95.6Very high78 Ų7848.4 Ų48.451%0.50626%0.262SS..THydrogen-bonded Turntrans-59.1-19.6-178.2-25.134.7000115.7D227P225-D227 VanDerWaalsContact C-N 3.29Å
226A95.1Very high95.4Very high104 Ų10449.2 Ų49.286%0.8627%0.265SS*.THydrogen-bonded Turntrans-73.8-19.7175.900000113.1M224M224-A226 PolarHBondContact O-N 2.99Å
227D96.9Very high95Very high18 Ų1850.6 Ų50.610%0.09627%0.268CS..SBendtrans-85121175.8-177.4-57000109.7W220 E221 A222 M224 P225 F229 Y230 E231W220-D227 WeakPolarHBondContact CB-OD1 3.48Å; W220-D227 WeakPolarHBondContact CB-OD2 3.07Å; E221-D227 PolarHBondContact N-OD2 3.19Å; A222-D227 PolarHBondContact N-OD2 3.35Å; A222-D227 VanDerWaalsContact N-OD2 3.1Å; A222-D227 WeakPolarHBondContact O-CB 3.45Å; M224-D227 WeakPolarHBondContact O-CB 3.48Å; M224-D227 PolarHBondContact O-N 3.06Å; P225-D227 VanDerWaalsContact C-N 3.29Å; D227-F229 PolarHBondContact O-N 2.84Å; D227-F229 PolarHBondContact OD1-N 3.42Å; D227-Y230 PolarHBondContact OD1-N 3.05Å; D227-E231 VanDerWaalsContact O-CB 3.29Å; D227-E231 WeakPolarHBondContact O-CB 3.16Å; D227-E231 PolarHBondContact O-N 2.84Å
228A96.6Very high94.6Very high78 Ų7855.6 Ų55.665%0.64529%0.288SS*.Hα-helixtrans-64.8-36.6-174.700000113.1E232A228-E232 WeakPolarHBondContact O-CB 3.37Å; A228-E232 PolarHBondContact O-N 3.44Å
229F96.6Very high93.9Very high94 Ų9454.9 Ų54.941%0.41230%0.297SS..Hα-helixtrans-75-40.9-178.7-64.5-65.5000111.4P219 W220 D227 E231 E232 F233 Q249P219-F229 VanDerWaalsContact O-CB 3.25Å; P219-F229 WeakPolarHBondContact O-CB 3.47Å; W220-F229 HydrophobicContact CB-CB 4.36Å; D227-F229 PolarHBondContact O-N 2.84Å; D227-F229 PolarHBondContact OD1-N 3.42Å; F229-E231 VanDerWaalsContact C-N 3.33Å; F229-E232 PolarHBondContact O-N 2.8Å; F229-F233 PolarHBondContact O-N 3.26Å; F229-Q249 HydrophobicContact CD1-CG 3.65Å; F229-Q249 VanDerWaalsContact CD2-NE2 3.33Å; F229-Q249 HydrophobicContact CE1-CG 3.95Å; F229-Q249 HydrophobicContact CG-CG 4.21Å
230Y96.9Very high92.6Very high1 Ų157.8 Ų57.80%0.00433%0.327CS..Hα-helixtrans-62.7-42172.4175.1-102.4000111.3P184 W204 W220 A223 M224 D227 F233 R234P184-Y230 WeakPolarHBondContact CB-OH 3.3Å; P184-Y230 HydrophobicContact CG-CE2 4.09Å; P184-Y230 WeakPolarHBondContact CG-OH 3Å; W204-Y230 HydrophobicContact CH2-CD2 4.39Å; W204-Y230 AromaticContact CH2-CE2 3.73Å; W204-Y230 HydrophobicContact CH2-CE2 3.73Å; W204-Y230 HydrophobicContact CZ2-CE2 4.19Å; W220-Y230 AromaticContact CD2-CD2 3.96Å; W220-Y230 HydrophobicContact CD2-CD2 3.96Å; W220-Y230 AromaticContact CE3-CD2 3.97Å; W220-Y230 HydrophobicContact CE3-CD2 3.97Å; W220-Y230 HydrophobicContact CH2-CD2 4.44Å; W220-Y230 HydrophobicContact CZ2-CD2 4.48Å; W220-Y230 HydrophobicContact CZ3-CD2 4.2Å; A223-Y230 HydrophobicContact CB-CD2 3.9Å; A223-Y230 HydrophobicContact CB-CE2 3.8Å; A223-Y230 HydrophobicContact CB-CG 4.48Å; M224-Y230 VanDerWaalsContact C-CD1 3.45Å; M224-Y230 VanDerWaalsContact N-CD1 3.32Å; M224-Y230 VanDerWaalsContact O-CD1 3.26Å; M224-Y230 WeakPolarHBondContact O-CD1 3.25Å; D227-Y230 PolarHBondContact OD1-N 3.05Å; Y230-F233 PolarHBondContact O-N 3.34Å; Y230-R234 WeakPolarHBondContact O-CB 3.17Å; Y230-R234 PolarHBondContact O-N 3.37Å
231E95.3Very high91.1Very high18 Ų1860.1 Ų60.18%0.08434%0.343CS..Hα-helixtrans-66.7-37.8178.5179.459.1-164.500112.4D227 F229 R234 R235D227-E231 VanDerWaalsContact O-CB 3.29Å; D227-E231 WeakPolarHBondContact O-CB 3.16Å; D227-E231 PolarHBondContact O-N 2.84Å; F229-E231 VanDerWaalsContact C-N 3.33Å; E231-R234 VanDerWaalsContact CD-NH2 3.25Å; E231-R234 PolarHBondContact O-N 2.72Å; E231-R234 IonicContact OE1-CZ 3.48Å; E231-R234 IonicContact OE1-NE 3.55Å; E231-R234 IonicContact OE1-NH2 3.36Å; E231-R234 PolarHBondContact OE1-NH2 2.73Å; E231-R234 IonicContact OE2-CZ 3.45Å; E231-R234 IonicContact OE2-NE 2.73Å; E231-R234 PolarHBondContact OE2-NE 3.48Å; E231-R234 IonicContact OE2-NH2 3.86Å; E231-R234 PolarHBondContact OE2-NH2 2.93Å; E231-R235 WeakPolarHBondContact O-CG 3.38Å; E231-R235 PolarHBondContact O-N 3.46Å; E231-R235 IonicContact OE1-CZ 2.9Å; E231-R235 IonicContact OE1-NE 3.41Å; E231-R235 PolarHBondContact OE1-NE 3.21Å; E231-R235 IonicContact OE1-NH2 2.86Å; E231-R235 PolarHBondContact OE1-NH2 3.43Å
232E94.4Very high89.7Confident63 Ų6356.6 Ų56.629%0.29433%0.333SS..Hα-helixtrans-58.9-49.1171.1-169.6-173.8-17300111.1A228 F229 R234 R235 W236 P247 S248A228-E232 WeakPolarHBondContact O-CB 3.37Å; A228-E232 PolarHBondContact O-N 3.44Å; F229-E232 PolarHBondContact O-N 2.8Å; E232-R234 PolarHBondContact O-N 3.45Å; E232-R235 PolarHBondContact O-N 3.34Å; E232-W236 PolarHBondContact O-N 3.06Å; E232-W236 VanDerWaalsContact O-N 3.09Å; E232-P247 HydrophobicContact CG-CB 3.91Å; E232-P247 VanDerWaalsContact OE1-CA 3.27Å; E232-P247 WeakPolarHBondContact OE1-CA 3.25Å; E232-S248 PolarHBondContact OE1-N 3.29Å; E232-S248 WeakPolarHBondContact OE2-CB 3.17Å; E232-S248 PolarHBondContact OE2-N 2.94Å; E232-S248 VanDerWaalsContact OE2-N 3.13Å; E232-S248 PolarHBondContact OE2-OG 2.84Å
233F94.6Very high88.4Confident1 Ų160.2 Ų60.20%0.00436%0.362CS..Hα-helixtrans-61.3-44.2177.1177.2-97.3000112.6W220 F229 Y230 R235 W236 Q237 W250 L265W220-F233 HydrophobicContact CE3-CB 4.45Å; W220-F233 AromaticContact CH2-CD1 3.91Å; W220-F233 HydrophobicContact CH2-CD1 3.91Å; W220-F233 HydrophobicContact CH2-CE1 4.02Å; W220-F233 HydrophobicContact CH2-CG 4.29Å; W220-F233 HydrophobicContact CH2-CZ 4.48Å; W220-F233 HydrophobicContact CZ3-CB 3.88Å; W220-F233 AromaticContact CZ3-CD1 3.64Å; W220-F233 HydrophobicContact CZ3-CD1 3.64Å; W220-F233 HydrophobicContact CZ3-CD2 4.21Å; W220-F233 HydrophobicContact CZ3-CE1 4.19Å; W220-F233 AromaticContact CZ3-CG 3.65Å; W220-F233 HydrophobicContact CZ3-CG 3.65Å; F229-F233 PolarHBondContact O-N 3.26Å; Y230-F233 PolarHBondContact O-N 3.34Å; F233-R235 VanDerWaalsContact C-N 3.35Å; F233-R235 PolarHBondContact O-N 2.94Å; F233-W236 AromaticContact CD2-CE3 3.92Å; F233-W236 HydrophobicContact CD2-CE3 3.92Å; F233-W236 HydrophobicContact CD2-CZ3 4.03Å; F233-W236 AromaticContact CE2-CE3 3.92Å; F233-W236 HydrophobicContact CE2-CE3 3.92Å; F233-W236 AromaticContact CE2-CZ3 3.61Å; F233-W236 HydrophobicContact CE2-CZ3 3.61Å; F233-W236 HydrophobicContact CZ-CZ3 4.39Å; F233-W236 WeakPolarHBondContact O-CB 3.25Å; F233-W236 PolarHBondContact O-N 2.94Å; F233-Q237 HydrophobicContact CD1-CG 4.35Å; F233-Q237 VanDerWaalsContact CE1-CD 3.44Å; F233-Q237 HydrophobicContact CE1-CG 3.9Å; F233-Q237 HydrophobicContact CZ-CG 4.06Å; F233-Q237 PolarHBondContact O-N 3.4Å; F233-W250 AromaticContact CD2-CD2 4Å; F233-W250 HydrophobicContact CD2-CD2 4Å; F233-W250 AromaticContact CD2-CE2 3.39Å; F233-W250 HydrophobicContact CD2-CG 4.43Å; F233-W250 HydrophobicContact CD2-CH2 4.46Å; F233-W250 AromaticContact CD2-CZ2 3.63Å; F233-W250 HydrophobicContact CD2-CZ2 3.63Å; F233-W250 AromaticContact CD2-NE1 3.51Å; F233-W250 HydrophobicContact CE2-CD2 4.1Å; F233-W250 AromaticContact CE2-CE2 3.68Å; F233-W250 HydrophobicContact CE2-CE3 4.4Å; F233-W250 AromaticContact CE2-CH2 3.98Å; F233-W250 HydrophobicContact CE2-CH2 3.98Å; F233-W250 AromaticContact CE2-CZ2 3.57Å; F233-W250 HydrophobicContact CE2-CZ2 3.57Å; F233-W250 HydrophobicContact CE2-CZ3 4.38Å; F233-W250 HydrophobicContact CG-CZ2 4.4Å; F233-W250 HydrophobicContact CZ-CZ2 4.33Å; F233-L265 HydrophobicContact CE1-CB 3.97Å; F233-L265 WeakPolarHBondContact CE1-O 3.31Å; F233-L265 HydrophobicContact CZ-CB 3.74Å; F233-L265 HydrophobicContact CZ-CD1 4.33Å
234R93.3Very high87.2Confident63 Ų6363 Ų6324%0.23839%0.391CS..Hα-helixtrans-62.9-40179.1-170.2-170.770.9108.45111.9Y230 E231 E232 Q237 K238Y230-R234 WeakPolarHBondContact O-CB 3.17Å; Y230-R234 PolarHBondContact O-N 3.37Å; E231-R234 VanDerWaalsContact CD-NH2 3.25Å; E231-R234 PolarHBondContact O-N 2.72Å; E231-R234 IonicContact OE1-CZ 3.48Å; E231-R234 IonicContact OE1-NE 3.55Å; E231-R234 IonicContact OE1-NH2 3.36Å; E231-R234 PolarHBondContact OE1-NH2 2.73Å; E231-R234 IonicContact OE2-CZ 3.45Å; E231-R234 IonicContact OE2-NE 2.73Å; E231-R234 PolarHBondContact OE2-NE 3.48Å; E231-R234 IonicContact OE2-NH2 3.86Å; E231-R234 PolarHBondContact OE2-NH2 2.93Å; E232-R234 PolarHBondContact O-N 3.45Å; R234-Q237 PolarHBondContact O-N 3.49Å; R234-K238 WeakPolarHBondContact O-CG 3.35Å; R234-K238 PolarHBondContact O-N 2.9Å
235R91.9Very high86.5Confident151 Ų15164.3 Ų64.357%0.5740%0.402SS*.Hα-helixtrans-64.2-43.7174.9-74.6176.9-169.5140.33.7111.4E231 E232 F233 Q237 K238 A239E231-R235 WeakPolarHBondContact O-CG 3.38Å; E231-R235 PolarHBondContact O-N 3.46Å; E231-R235 IonicContact OE1-CZ 2.9Å; E231-R235 IonicContact OE1-NE 3.41Å; E231-R235 PolarHBondContact OE1-NE 3.21Å; E231-R235 IonicContact OE1-NH2 2.86Å; E231-R235 PolarHBondContact OE1-NH2 3.43Å; E232-R235 PolarHBondContact O-N 3.34Å; F233-R235 VanDerWaalsContact C-N 3.35Å; F233-R235 PolarHBondContact O-N 2.94Å; R235-Q237 VanDerWaalsContact C-N 3.35Å; R235-Q237 PolarHBondContact O-N 3.46Å; R235-K238 PolarHBondContact O-N 3.41Å; R235-K238 VanDerWaalsContact O-N 3.15Å; R235-A239 WeakPolarHBondContact O-CB 3.27Å; R235-A239 PolarHBondContact O-N 3.44Å
236W90.9Very high86.2Confident17 Ų1762.6 Ų62.66%0.06439%0.386CS..Hα-helixtrans-60.7-41.9176.617374.6000112.7E232 F233 K238 A239 T245 Y246 P247 L258 Q262E232-W236 PolarHBondContact O-N 3.06Å; E232-W236 VanDerWaalsContact O-N 3.09Å; F233-W236 AromaticContact CD2-CE3 3.92Å; F233-W236 HydrophobicContact CD2-CE3 3.92Å; F233-W236 HydrophobicContact CD2-CZ3 4.03Å; F233-W236 AromaticContact CE2-CE3 3.92Å; F233-W236 HydrophobicContact CE2-CE3 3.92Å; F233-W236 AromaticContact CE2-CZ3 3.61Å; F233-W236 HydrophobicContact CE2-CZ3 3.61Å; F233-W236 HydrophobicContact CZ-CZ3 4.39Å; F233-W236 WeakPolarHBondContact O-CB 3.25Å; F233-W236 PolarHBondContact O-N 2.94Å; W236-K238 VanDerWaalsContact C-N 3.3Å; W236-K238 PolarHBondContact O-N 3.49Å; W236-A239 PolarHBondContact O-N 3.4Å; W236-T245 PolarHBondContact NE1-O 2.86Å; W236-T245 VanDerWaalsContact NE1-O 3.15Å; W236-Y246 HydrophobicContact CZ2-CD1 4.42Å; W236-P247 HydrophobicContact CB-CG 3.51Å; W236-P247 HydrophobicContact CD2-CG 3.77Å; W236-P247 HydrophobicContact CE3-CG 3.99Å; W236-P247 HydrophobicContact CG-CG 3.6Å; W236-L258 HydrophobicContact CH2-CB 4.02Å; W236-L258 HydrophobicContact CH2-CD2 3.89Å; W236-L258 HydrophobicContact CH2-CG 4.5Å; W236-L258 HydrophobicContact CZ2-CB 4.18Å; W236-L258 HydrophobicContact CZ2-CD2 4.14Å; W236-Q262 HydrophobicContact CE3-CG 4.26Å; W236-Q262 HydrophobicContact CH2-CG 3.4Å; W236-Q262 HydrophobicContact CZ2-CG 4.29Å; W236-Q262 HydrophobicContact CZ3-CG 3.35Å
237Q89.3Confident85.9Confident41 Ų4157.8 Ų57.819%0.19235%0.346CS..Hα-helixtrans-59.2-39.6173.3-77.4-163.9-22.700113F233 R234 R235 Q262 L265F233-Q237 HydrophobicContact CD1-CG 4.35Å; F233-Q237 VanDerWaalsContact CE1-CD 3.44Å; F233-Q237 HydrophobicContact CE1-CG 3.9Å; F233-Q237 HydrophobicContact CZ-CG 4.06Å; F233-Q237 PolarHBondContact O-N 3.4Å; R234-Q237 PolarHBondContact O-N 3.49Å; R235-Q237 VanDerWaalsContact C-N 3.35Å; R235-Q237 PolarHBondContact O-N 3.46Å; Q237-Q262 PolarHBondContact NE2-O 2.95Å; Q237-L265 VanDerWaalsContact NE2-C 3.34Å; Q237-L265 PolarHBondContact NE2-O 2.84Å
238K87.1Confident85.7Confident138 Ų13859.3 Ų59.360%0.636%0.358SS*.Hα-helixtrans-74.3-32.6179.9-72.4-177.4173.5-167.20113.5R234 R235 W236 G240R234-K238 WeakPolarHBondContact O-CG 3.35Å; R234-K238 PolarHBondContact O-N 2.9Å; R235-K238 PolarHBondContact O-N 3.41Å; R235-K238 VanDerWaalsContact O-N 3.15Å; W236-K238 VanDerWaalsContact C-N 3.3Å; W236-K238 PolarHBondContact O-N 3.49Å; K238-G240 PolarHBondContact O-N 2.82Å
239A82.5Confident85.4Confident64 Ų6457.5 Ų57.553%0.52934%0.336SS..THydrogen-bonded Turntrans-75.12.5-174.500000114.2R235 W236 C241 P242R235-A239 WeakPolarHBondContact O-CB 3.27Å; R235-A239 PolarHBondContact O-N 3.44Å; W236-A239 PolarHBondContact O-N 3.4Å; A239-C241 PolarHBondContact O-N 2.96Å; A239-P242 HydrophobicContact CB-CG 4.46Å
240G70.3Confident85.3Confident61 Ų6153.1 Ų53.163%0.62932%0.317SS*.THydrogen-bonded Turntrans68.619.7177.200000114.5K238K238-G240 PolarHBondContact O-N 2.82Å
241C65.3Low84.9Confident52 Ų5259.8 Ų59.835%0.35134%0.342SS..  trans64.268172-34.60000114.6A239 A243 Q262A239-C241 PolarHBondContact O-N 2.96Å; C241-A243 PolarHBondContact O-N 2.93Å; C241-Q262 PolarHBondContact SG-NE2 3.3Å
242P67.6Low84.7Confident65 Ų6563 Ų6342%0.42235%0.354SS..  trans-59.4125.3171.7-7.719.8000109.4A239 G244 T245A239-P242 HydrophobicContact CB-CG 4.46Å; P242-G244 PolarHBondContact O-N 3.43Å; P242-T245 PolarHBondContact O-N 2.92Å
243A66.9Low84.7Confident99 Ų9960 Ų6082%0.81834%0.34SS*.THydrogen-bonded Turntrans-52.7134.5179.800000110.8C241 T245C241-A243 PolarHBondContact O-N 2.93Å; A243-T245 VanDerWaalsContact C-N 3.28Å; A243-T245 PolarHBondContact O-N 3.27Å
244G70.8Confident84.6Confident59 Ų5960.9 Ų60.961%0.60835%0.345SS*.THydrogen-bonded Turntrans80-3-178.900000115.8P242P242-G244 PolarHBondContact O-N 3.43Å
245T82Confident84.4Confident85 Ų8561.5 Ų61.552%0.52135%0.353SS..  trans-110.3101.6176.9-37.90000110W236 P242 A243W236-T245 PolarHBondContact NE1-O 2.86Å; W236-T245 VanDerWaalsContact NE1-O 3.15Å; P242-T245 PolarHBondContact O-N 2.92Å; A243-T245 VanDerWaalsContact C-N 3.28Å; A243-T245 PolarHBondContact O-N 3.27Å
246Y85.8Confident84.4Confident43 Ų4356.1 Ų56.117%0.16934%0.336CS..  trans-121.5143.2-179-48-73.9000110.8W236 D255 L258 R291W236-Y246 HydrophobicContact CZ2-CD1 4.42Å; Y246-D255 PolarHBondContact OH-OD1 3.48Å; Y246-L258 HydrophobicContact CD1-CD1 3.33Å; Y246-L258 HydrophobicContact CE1-CD1 3.31Å; Y246-L258 HydrophobicContact CG-CD1 4.18Å; Y246-R291 PolarHBondContact OH-NH2 2.83Å
247P89.9Confident84.5Confident3 Ų355.3 Ų55.32%0.01933%0.332CS..  trans-55.8143.4172.8-23.834.1000110.6E232 W236 Q249 W250 R251E232-P247 HydrophobicContact CG-CB 3.91Å; E232-P247 VanDerWaalsContact OE1-CA 3.27Å; E232-P247 WeakPolarHBondContact OE1-CA 3.25Å; W236-P247 HydrophobicContact CB-CG 3.51Å; W236-P247 HydrophobicContact CD2-CG 3.77Å; W236-P247 HydrophobicContact CE3-CG 3.99Å; W236-P247 HydrophobicContact CG-CG 3.6Å; P247-Q249 VanDerWaalsContact C-N 3.32Å; P247-Q249 PolarHBondContact O-N 2.92Å; P247-W250 HydrophobicContact CB-CB 4.29Å; P247-W250 HydrophobicContact CB-CG 4.11Å; P247-W250 HydrophobicContact CG-CG 4.45Å; P247-W250 WeakPolarHBondContact O-CA 3.31Å; P247-W250 WeakPolarHBondContact O-CB 3.44Å; P247-W250 PolarHBondContact O-N 3.45Å; P247-R251 PolarHBondContact O-N 3.33Å
248S90.9Very high84.7Confident50 Ų5053.5 Ų53.535%0.3532%0.324SS..G310 helixtrans-45.6-51.5-173.258.20000113.7E232 W250E232-S248 PolarHBondContact OE1-N 3.29Å; E232-S248 WeakPolarHBondContact OE2-CB 3.17Å; E232-S248 PolarHBondContact OE2-N 2.94Å; E232-S248 VanDerWaalsContact OE2-N 3.13Å; E232-S248 PolarHBondContact OE2-OG 2.84Å; S248-W250 PolarHBondContact O-N 3.12Å
249Q92.2Very high84.9Confident39 Ų3953.6 Ų53.618%0.18232%0.321CS..G310 helixtrans-66.8-18.8-179.7-65.9-138.53300114.5F211 F218 P219 F229 P247F211-Q249 HydrophobicContact CE2-CB 4.25Å; F211-Q249 HydrophobicContact CZ-CB 3.97Å; F218-Q249 PolarHBondContact O-NE2 2.92Å; F218-Q249 PolarHBondContact O-OE1 3.33Å; P219-Q249 PolarHBondContact O-NE2 3.24Å; F229-Q249 HydrophobicContact CD1-CG 3.65Å; F229-Q249 VanDerWaalsContact CD2-NE2 3.33Å; F229-Q249 HydrophobicContact CE1-CG 3.95Å; F229-Q249 HydrophobicContact CG-CG 4.21Å; P247-Q249 VanDerWaalsContact C-N 3.32Å; P247-Q249 PolarHBondContact O-N 2.92Å
250W93.2Very high85.5Confident2 Ų250.7 Ų50.71%0.00830%0.296CS..G310 helixtrans-104.7-8-167.9-61.174.9000113.4F211 P219 W220 F233 P247 S248 R252 F253 L258 F261 L265F211-W250 HydrophobicContact CB-CH2 4.41Å; F211-W250 HydrophobicContact CD2-CD2 4.24Å; F211-W250 AromaticContact CD2-CE3 4Å; F211-W250 HydrophobicContact CD2-CE3 4Å; F211-W250 AromaticContact CD2-CH2 3.6Å; F211-W250 HydrophobicContact CD2-CH2 3.6Å; F211-W250 AromaticContact CD2-CZ2 3.93Å; F211-W250 HydrophobicContact CD2-CZ2 3.93Å; F211-W250 AromaticContact CD2-CZ3 3.61Å; F211-W250 HydrophobicContact CD2-CZ3 3.61Å; F211-W250 HydrophobicContact CE2-CD2 4.1Å; F211-W250 HydrophobicContact CE2-CE3 4.24Å; F211-W250 HydrophobicContact CE2-CH2 4.31Å; F211-W250 HydrophobicContact CE2-CZ2 4.23Å; F211-W250 HydrophobicContact CE2-CZ3 4.28Å; F211-W250 HydrophobicContact CG-CH2 4.33Å; P219-W250 HydrophobicContact CB-CH2 4.41Å; P219-W250 HydrophobicContact CB-CZ2 3.7Å; W220-W250 AromaticContact CH2-CZ2 3.99Å; W220-W250 HydrophobicContact CH2-CZ2 3.99Å; W220-W250 AromaticContact CZ3-CZ2 3.77Å; W220-W250 HydrophobicContact CZ3-CZ2 3.77Å; F233-W250 AromaticContact CD2-CD2 4Å; F233-W250 HydrophobicContact CD2-CD2 4Å; F233-W250 AromaticContact CD2-CE2 3.39Å; F233-W250 HydrophobicContact CD2-CG 4.43Å; F233-W250 HydrophobicContact CD2-CH2 4.46Å; F233-W250 AromaticContact CD2-CZ2 3.63Å; F233-W250 HydrophobicContact CD2-CZ2 3.63Å; F233-W250 AromaticContact CD2-NE1 3.51Å; F233-W250 HydrophobicContact CE2-CD2 4.1Å; F233-W250 AromaticContact CE2-CE2 3.68Å; F233-W250 HydrophobicContact CE2-CE3 4.4Å; F233-W250 AromaticContact CE2-CH2 3.98Å; F233-W250 HydrophobicContact CE2-CH2 3.98Å; F233-W250 AromaticContact CE2-CZ2 3.57Å; F233-W250 HydrophobicContact CE2-CZ2 3.57Å; F233-W250 HydrophobicContact CE2-CZ3 4.38Å; F233-W250 HydrophobicContact CG-CZ2 4.4Å; F233-W250 HydrophobicContact CZ-CZ2 4.33Å; P247-W250 HydrophobicContact CB-CB 4.29Å; P247-W250 HydrophobicContact CB-CG 4.11Å; P247-W250 HydrophobicContact CG-CG 4.45Å; P247-W250 WeakPolarHBondContact O-CA 3.31Å; P247-W250 WeakPolarHBondContact O-CB 3.44Å; P247-W250 PolarHBondContact O-N 3.45Å; S248-W250 PolarHBondContact O-N 3.12Å; W250-R252 PolarHBondContact O-N 3.15Å; W250-F253 HydrophobicContact CB-CD2 4.28Å; W250-F253 HydrophobicContact CD2-CE2 4.45Å; W250-F253 AromaticContact CE3-CD2 3.84Å; W250-F253 HydrophobicContact CE3-CD2 3.84Å; W250-F253 AromaticContact CE3-CE2 3.79Å; W250-F253 HydrophobicContact CE3-CE2 3.79Å; W250-F253 HydrophobicContact CZ3-CE2 4.23Å; W250-F253 VanDerWaalsContact O-CD2 3.29Å; W250-F253 WeakPolarHBondContact O-CD2 3.36Å; W250-F253 PolarHBondContact O-N 3.24Å; W250-F253 VanDerWaalsContact O-N 3.12Å; W250-L258 HydrophobicContact CB-CD2 3.93Å; W250-L258 HydrophobicContact CE3-CD2 4.37Å; W250-F261 HydrophobicContact CE3-CB 4.18Å; W250-F261 HydrophobicContact CE3-CD2 4Å; W250-F261 HydrophobicContact CE3-CE2 4.48Å; W250-F261 HydrophobicContact CE3-CG 4.1Å; W250-F261 HydrophobicContact CH2-CB 4.23Å; W250-F261 AromaticContact CH2-CD1 3.92Å; W250-F261 HydrophobicContact CH2-CD1 3.92Å; W250-F261 HydrophobicContact CH2-CE1 4.34Å; W250-F261 HydrophobicContact CH2-CG 4.09Å; W250-F261 HydrophobicContact CZ3-CB 3.53Å; W250-F261 AromaticContact CZ3-CD1 3.5Å; W250-F261 HydrophobicContact CZ3-CD1 3.5Å; W250-F261 VanDerWaalsContact CZ3-CD1 3.5Å; W250-F261 AromaticContact CZ3-CD2 3.52Å; W250-F261 HydrophobicContact CZ3-CD2 3.52Å; W250-F261 AromaticContact CZ3-CE1 3.92Å; W250-F261 HydrophobicContact CZ3-CE1 3.92Å; W250-F261 AromaticContact CZ3-CE2 3.95Å; W250-F261 HydrophobicContact CZ3-CE2 3.95Å; W250-F261 AromaticContact CZ3-CG 3.27Å; W250-F261 HydrophobicContact CZ3-CG 3.27Å; W250-F261 HydrophobicContact CZ3-CZ 4.12Å; W250-L265 HydrophobicContact CH2-CD1 3.38Å; W250-L265 HydrophobicContact CZ2-CD1 4.06Å; W250-L265 HydrophobicContact CZ3-CD1 4.32Å
251R89.9Confident86.7Confident141 Ų14147.8 Ų47.853%0.53227%0.266SS..THydrogen-bonded Turntrans-55.9-27.2-175.6-69.6180-179-1493.8114.7P247 F253 R291P247-R251 PolarHBondContact O-N 3.33Å; R251-F253 VanDerWaalsContact C-N 3.29Å; R251-F253 PolarHBondContact O-N 2.96Å; R251-R291 WeakPolarHBondContact O-CB 3.35Å; R251-R291 VanDerWaalsContact O-CD 3.23Å; R251-R291 WeakPolarHBondContact O-CD 3.29Å
252R90.3Very high88Confident86 Ų8647.1 Ų47.133%0.32526%0.258SS..THydrogen-bonded Turntrans-75.1-14.4-177.465.8177.969-173.73.5114W250 S288W250-R252 PolarHBondContact O-N 3.15Å; R252-S288 PolarHBondContact O-N 2.83Å
253F93.5Very high89.3Confident0 Ų049.2 Ų49.20%026%0.258CS..BIsolated β-bridgetrans-85.7152-176.3-59.4-62.7000112.2F211 L214 T215 W250 R251 A257 L258 F261 L286 V287 R291F211-F253 AromaticContact CD2-CE2 3.53Å; F211-F253 HydrophobicContact CD2-CE2 3.53Å; F211-F253 AromaticContact CD2-CZ 3.69Å; F211-F253 HydrophobicContact CD2-CZ 3.69Å; F211-F253 AromaticContact CE2-CE2 3.56Å; F211-F253 HydrophobicContact CE2-CE2 3.56Å; F211-F253 AromaticContact CE2-CZ 3.94Å; F211-F253 HydrophobicContact CE2-CZ 3.94Å; F211-F253 HydrophobicContact CG-CZ 4.42Å; L214-F253 HydrophobicContact CB-CE1 3.92Å; L214-F253 HydrophobicContact CB-CZ 4.47Å; L214-F253 HydrophobicContact CD1-CD1 4.27Å; L214-F253 HydrophobicContact CD1-CE1 3.65Å; L214-F253 HydrophobicContact CG-CE1 4.43Å; T215-F253 HydrophobicContact CG2-CE1 4.23Å; T215-F253 HydrophobicContact CG2-CZ 3.63Å; W250-F253 HydrophobicContact CB-CD2 4.28Å; W250-F253 HydrophobicContact CD2-CE2 4.45Å; W250-F253 AromaticContact CE3-CD2 3.84Å; W250-F253 HydrophobicContact CE3-CD2 3.84Å; W250-F253 AromaticContact CE3-CE2 3.79Å; W250-F253 HydrophobicContact CE3-CE2 3.79Å; W250-F253 HydrophobicContact CZ3-CE2 4.23Å; W250-F253 VanDerWaalsContact O-CD2 3.29Å; W250-F253 WeakPolarHBondContact O-CD2 3.36Å; W250-F253 PolarHBondContact O-N 3.24Å; W250-F253 VanDerWaalsContact O-N 3.12Å; R251-F253 VanDerWaalsContact C-N 3.29Å; R251-F253 PolarHBondContact O-N 2.96Å; F253-A257 HydrophobicContact CB-CB 4Å; F253-L258 HydrophobicContact CB-CD2 4.03Å; F253-L258 HydrophobicContact CB-CG 3.99Å; F253-L258 HydrophobicContact CD2-CD2 4.39Å; F253-F261 AromaticContact CD1-CE2 3.97Å; F253-F261 HydrophobicContact CD1-CE2 3.97Å; F253-F261 HydrophobicContact CD2-CD2 4.41Å; F253-F261 HydrophobicContact CD2-CE2 4.05Å; F253-F261 AromaticContact CE1-CE2 3.95Å; F253-F261 HydrophobicContact CE1-CE2 3.95Å; F253-F261 HydrophobicContact CE1-CZ 4.34Å; F253-F261 HydrophobicContact CE2-CE2 4.03Å; F253-F261 HydrophobicContact CG-CE2 4.02Å; F253-F261 AromaticContact CZ-CE2 3.98Å; F253-F261 HydrophobicContact CZ-CE2 3.98Å; F253-F261 HydrophobicContact CZ-CZ 4.21Å; F253-L286 WeakPolarHBondContact CA-O 3.15Å; F253-V287 HydrophobicContact CD1-CG2 4.24Å; F253-V287 HydrophobicContact CE1-CG2 4.31Å; F253-R291 PolarHBondContact O-NH1 2.64Å
254T92.8Very high90.7Very high20 Ų2044.6 Ų44.612%0.12322%0.219CC..  trans-68.8162.117160.70000110.6D256 A257 L258 E285 L286T254-D256 PolarHBondContact O-N 2.75Å; T254-A257 PolarHBondContact O-N 2.91Å; T254-A257 WeakPolarHBondContact OG1-CB 3.46Å; T254-A257 PolarHBondContact OG1-N 3.37Å; T254-L258 VanDerWaalsContact O-CG 3.28Å; T254-L258 WeakPolarHBondContact O-CG 3.34Å; T254-L258 PolarHBondContact O-N 3.26Å; T254-E285 WeakPolarHBondContact CB-O 3.43Å; T254-E285 HydrophobicContact CG2-CB 4.26Å; T254-E285 WeakPolarHBondContact CG2-O 3.44Å; T254-E285 PolarHBondContact OG1-O 3.45Å; T254-L286 PolarHBondContact N-O 3.01Å; T254-L286 PolarHBondContact OG1-O 3.38Å
255D89.9Confident92Very high76 Ų7641.8 Ų41.841%0.40619%0.19SC..Hα-helixtrans-64.2-31.1178.9-62.4-38.3000112Y246 L258 R259 R291Y246-D255 PolarHBondContact OH-OD1 3.48Å; D255-L258 PolarHBondContact O-N 2.77Å; D255-R259 WeakPolarHBondContact O-CG 3.44Å; D255-R259 PolarHBondContact O-N 3.34Å; D255-R291 IonicContact OD1-CZ 2.61Å; D255-R291 IonicContact OD1-NH1 2.72Å; D255-R291 PolarHBondContact OD1-NH1 3.13Å; D255-R291 IonicContact OD1-NH2 3.55Å; D255-R291 PolarHBondContact OD1-NH2 3.43Å; D255-R291 IonicContact OD2-CZ 3.55Å; D255-R291 IonicContact OD2-NH1 3.51Å; D255-R291 IonicContact OD2-NH2 3.75Å; D255-R291 PolarHBondContact OD2-NH2 2.96Å
256D91.3Very high92.7Very high37 Ų3738.2 Ų38.220%0.19817%0.169CC..Hα-helixtrans-63.9-47.6172.9-66.5-32000112.1T254 L258 R259 M260 F281 Y284T254-D256 PolarHBondContact O-N 2.75Å; D256-L258 VanDerWaalsContact C-N 3.33Å; D256-L258 PolarHBondContact O-N 3.02Å; D256-R259 PolarHBondContact O-N 3.47Å; D256-R259 IonicContact OD1-CZ 3.65Å; D256-R259 IonicContact OD1-NE 2.9Å; D256-R259 IonicContact OD1-NH2 2.68Å; D256-R259 PolarHBondContact OD1-NH2 3.14Å; D256-M260 PolarHBondContact O-N 3.35Å; D256-F281 WeakPolarHBondContact O-CD1 3.25Å; D256-F281 WeakPolarHBondContact O-CE1 3.45Å; D256-Y284 HydrophobicContact CB-CD2 4.37Å; D256-Y284 HydrophobicContact CB-CG 4.38Å
257A93.6Very high93.1Very high0 Ų036.5 Ų36.50%016%0.164CC..Hα-helixtrans-64-38.917600000112F253 T254 M260 F261 L286F253-A257 HydrophobicContact CB-CB 4Å; T254-A257 PolarHBondContact O-N 2.91Å; T254-A257 WeakPolarHBondContact OG1-CB 3.46Å; T254-A257 PolarHBondContact OG1-N 3.37Å; A257-M260 HydrophobicContact CB-CE 4.31Å; A257-M260 WeakPolarHBondContact O-CB 3.49Å; A257-M260 PolarHBondContact O-N 2.74Å; A257-F261 HydrophobicContact CB-CD2 4.48Å; A257-F261 HydrophobicContact CB-CE2 4.49Å; A257-F261 WeakPolarHBondContact O-CD2 3.49Å; A257-F261 PolarHBondContact O-N 3.31Å; A257-L286 HydrophobicContact CB-CB 4.24Å; A257-L286 HydrophobicContact CB-CD2 4.05Å; A257-L286 VanDerWaalsContact CB-O 3.3Å; A257-L286 WeakPolarHBondContact CB-O 3.38Å
258L92.9Very high93.3Very high4 Ų439.6 Ų39.62%0.02118%0.178CC..Hα-helixtrans-62.9-43.4176.2-70.8170.1000111.9W236 Y246 W250 F253 T254 D255 D256 M260 F261 Q262W236-L258 HydrophobicContact CH2-CB 4.02Å; W236-L258 HydrophobicContact CH2-CD2 3.89Å; W236-L258 HydrophobicContact CH2-CG 4.5Å; W236-L258 HydrophobicContact CZ2-CB 4.18Å; W236-L258 HydrophobicContact CZ2-CD2 4.14Å; Y246-L258 HydrophobicContact CD1-CD1 3.33Å; Y246-L258 HydrophobicContact CE1-CD1 3.31Å; Y246-L258 HydrophobicContact CG-CD1 4.18Å; W250-L258 HydrophobicContact CB-CD2 3.93Å; W250-L258 HydrophobicContact CE3-CD2 4.37Å; F253-L258 HydrophobicContact CB-CD2 4.03Å; F253-L258 HydrophobicContact CB-CG 3.99Å; F253-L258 HydrophobicContact CD2-CD2 4.39Å; T254-L258 VanDerWaalsContact O-CG 3.28Å; T254-L258 WeakPolarHBondContact O-CG 3.34Å; T254-L258 PolarHBondContact O-N 3.26Å; D255-L258 PolarHBondContact O-N 2.77Å; D256-L258 VanDerWaalsContact C-N 3.33Å; D256-L258 PolarHBondContact O-N 3.02Å; L258-M260 VanDerWaalsContact C-N 3.31Å; L258-M260 PolarHBondContact O-N 3.21Å; L258-F261 PolarHBondContact O-N 3.36Å; L258-Q262 VanDerWaalsContact O-CG 3.25Å; L258-Q262 WeakPolarHBondContact O-CG 3.42Å; L258-Q262 PolarHBondContact O-N 2.71Å
259R91.8Very high93.5Very high140 Ų14038.8 Ų38.853%0.52817%0.172SC..Hα-helixtrans-60-41.6174-73.7-171.3-66.3171.8-3.2112D255 D256 R263 F281D255-R259 WeakPolarHBondContact O-CG 3.44Å; D255-R259 PolarHBondContact O-N 3.34Å; D256-R259 PolarHBondContact O-N 3.47Å; D256-R259 IonicContact OD1-CZ 3.65Å; D256-R259 IonicContact OD1-NE 2.9Å; D256-R259 IonicContact OD1-NH2 2.68Å; D256-R259 PolarHBondContact OD1-NH2 3.14Å; R259-R263 WeakPolarHBondContact O-CG 3.45Å; R259-R263 PolarHBondContact O-N 3.46Å; R259-F281 HydrophobicContact CB-CE1 4.39Å
260M94.6Very high93.7Very high2 Ų244.1 Ų44.11%0.0120%0.197CC..Hα-helixtrans-61.3-50.8174.2175.3-169.169.400112L210 D256 A257 L258 Q262 R263 L264 I278 F281 L286L210-M260 HydrophobicContact CD2-CE 3.38Å; L210-M260 HydrophobicContact CD2-SD 3.94Å; L210-M260 HydrophobicContact CG-CE 4.33Å; D256-M260 PolarHBondContact O-N 3.35Å; A257-M260 HydrophobicContact CB-CE 4.31Å; A257-M260 WeakPolarHBondContact O-CB 3.49Å; A257-M260 PolarHBondContact O-N 2.74Å; L258-M260 VanDerWaalsContact C-N 3.31Å; L258-M260 PolarHBondContact O-N 3.21Å; M260-Q262 VanDerWaalsContact C-N 3.28Å; M260-Q262 PolarHBondContact O-N 3.14Å; M260-R263 PolarHBondContact O-N 3.26Å; M260-L264 HydrophobicContact CG-CD1 3.86Å; M260-L264 HydrophobicContact CG-CG 4.44Å; M260-L264 PolarHBondContact O-N 3.45Å; M260-I278 HydrophobicContact CE-CD1 4.29Å; M260-I278 HydrophobicContact CG-CD1 4.31Å; M260-I278 HydrophobicContact SD-CD1 3.15Å; M260-I278 WeakPolarHBondContact SD-CD1 3.28Å; M260-F281 HydrophobicContact CB-CB 4.21Å; M260-F281 HydrophobicContact CB-CD1 3.72Å; M260-F281 HydrophobicContact CB-CD2 3.58Å; M260-F281 HydrophobicContact CB-CE1 3.86Å; M260-F281 HydrophobicContact CB-CE2 3.75Å; M260-F281 HydrophobicContact CB-CG 3.56Å; M260-F281 HydrophobicContact CB-CZ 3.88Å; M260-F281 HydrophobicContact CG-CB 4.18Å; M260-F281 HydrophobicContact CG-CD1 4.47Å; M260-F281 HydrophobicContact CG-CD2 3.53Å; M260-F281 HydrophobicContact CG-CE2 3.97Å; M260-F281 HydrophobicContact CG-CG 3.82Å; M260-F281 HydrophobicContact SD-CB 3.57Å; M260-F281 VanDerWaalsContact SD-CB 3.57Å; M260-F281 HydrophobicContact SD-CD2 4.03Å; M260-F281 HydrophobicContact SD-CG 3.91Å; M260-L286 HydrophobicContact CE-CD2 4.23Å
261F95.4Very high93.8Very high0 Ų050.4 Ų50.40%022%0.224CC..Hα-helixtrans-61.4-35.8-179.5-80.1-64.4000112.7G207 L210 F211 L214 W250 F253 A257 L258 R263 L264 L265G207-F261 WeakPolarHBondContact O-CE1 3.22Å; L210-F261 HydrophobicContact CB-CE1 4.02Å; L210-F261 HydrophobicContact CB-CZ 4.37Å; L210-F261 HydrophobicContact CD2-CE1 4.13Å; L210-F261 HydrophobicContact CD2-CZ 4.26Å; L210-F261 HydrophobicContact CG-CE1 3.8Å; L210-F261 HydrophobicContact CG-CZ 3.75Å; F211-F261 HydrophobicContact CB-CE1 3.98Å; F211-F261 HydrophobicContact CB-CZ 4.14Å; L214-F261 HydrophobicContact CD1-CZ 4.25Å; W250-F261 HydrophobicContact CE3-CB 4.18Å; W250-F261 HydrophobicContact CE3-CD2 4Å; W250-F261 HydrophobicContact CE3-CE2 4.48Å; W250-F261 HydrophobicContact CE3-CG 4.1Å; W250-F261 HydrophobicContact CH2-CB 4.23Å; W250-F261 AromaticContact CH2-CD1 3.92Å; W250-F261 HydrophobicContact CH2-CD1 3.92Å; W250-F261 HydrophobicContact CH2-CE1 4.34Å; W250-F261 HydrophobicContact CH2-CG 4.09Å; W250-F261 HydrophobicContact CZ3-CB 3.53Å; W250-F261 AromaticContact CZ3-CD1 3.5Å; W250-F261 HydrophobicContact CZ3-CD1 3.5Å; W250-F261 VanDerWaalsContact CZ3-CD1 3.5Å; W250-F261 AromaticContact CZ3-CD2 3.52Å; W250-F261 HydrophobicContact CZ3-CD2 3.52Å; W250-F261 AromaticContact CZ3-CE1 3.92Å; W250-F261 HydrophobicContact CZ3-CE1 3.92Å; W250-F261 AromaticContact CZ3-CE2 3.95Å; W250-F261 HydrophobicContact CZ3-CE2 3.95Å; W250-F261 AromaticContact CZ3-CG 3.27Å; W250-F261 HydrophobicContact CZ3-CG 3.27Å; W250-F261 HydrophobicContact CZ3-CZ 4.12Å; F253-F261 AromaticContact CD1-CE2 3.97Å; F253-F261 HydrophobicContact CD1-CE2 3.97Å; F253-F261 HydrophobicContact CD2-CD2 4.41Å; F253-F261 HydrophobicContact CD2-CE2 4.05Å; F253-F261 AromaticContact CE1-CE2 3.95Å; F253-F261 HydrophobicContact CE1-CE2 3.95Å; F253-F261 HydrophobicContact CE1-CZ 4.34Å; F253-F261 HydrophobicContact CE2-CE2 4.03Å; F253-F261 HydrophobicContact CG-CE2 4.02Å; F253-F261 AromaticContact CZ-CE2 3.98Å; F253-F261 HydrophobicContact CZ-CE2 3.98Å; F253-F261 HydrophobicContact CZ-CZ 4.21Å; A257-F261 HydrophobicContact CB-CD2 4.48Å; A257-F261 HydrophobicContact CB-CE2 4.49Å; A257-F261 WeakPolarHBondContact O-CD2 3.49Å; A257-F261 PolarHBondContact O-N 3.31Å; L258-F261 PolarHBondContact O-N 3.36Å; F261-R263 VanDerWaalsContact C-N 3.28Å; F261-R263 PolarHBondContact O-N 3.04Å; F261-L264 PolarHBondContact O-N 3.31Å; F261-L265 HydrophobicContact CD1-CD1 3.99Å; F261-L265 VanDerWaalsContact O-CB 3.27Å; F261-L265 WeakPolarHBondContact O-CB 3.29Å; F261-L265 PolarHBondContact O-N 2.67Å
262Q92.9Very high94.1Very high39 Ų3944.7 Ų44.718%0.18220%0.202CC..Hα-helixtrans-59.2-40.2173.2-73.4168.1-14.800112.8W236 Q237 C241 L258 M260 A266W236-Q262 HydrophobicContact CE3-CG 4.26Å; W236-Q262 HydrophobicContact CH2-CG 3.4Å; W236-Q262 HydrophobicContact CZ2-CG 4.29Å; W236-Q262 HydrophobicContact CZ3-CG 3.35Å; Q237-Q262 PolarHBondContact NE2-O 2.95Å; C241-Q262 PolarHBondContact SG-NE2 3.3Å; L258-Q262 VanDerWaalsContact O-CG 3.25Å; L258-Q262 WeakPolarHBondContact O-CG 3.42Å; L258-Q262 PolarHBondContact O-N 2.71Å; M260-Q262 VanDerWaalsContact C-N 3.28Å; M260-Q262 PolarHBondContact O-N 3.14Å; Q262-A266 PolarHBondContact O-N 2.79Å
263R95.1Very high94.4Very high109 Ų10941.2 Ų41.241%0.41119%0.191SC..Hα-helixtrans-77.9-34.1-179.2-62.6177.875.4-137.3-6.1112.2R259 M260 F261 R272 C273 D277R259-R263 WeakPolarHBondContact O-CG 3.45Å; R259-R263 PolarHBondContact O-N 3.46Å; M260-R263 PolarHBondContact O-N 3.26Å; F261-R263 VanDerWaalsContact C-N 3.28Å; F261-R263 PolarHBondContact O-N 3.04Å; R263-R272 VanDerWaalsContact O-CA 3.28Å; R263-R272 WeakPolarHBondContact O-CA 3.44Å; R263-C273 HydrophobicContact CB-CB 4.01Å; R263-C273 VanDerWaalsContact CB-SG 3.56Å; R263-C273 PolarHBondContact O-N 3.15Å; R263-C273 PolarHBondContact O-SG 3.31Å; R263-C273 VanDerWaalsContact O-SG 3.39Å; R263-D277 IonicContact CZ-OD2 2.72Å; R263-D277 IonicContact NH1-OD2 3.66Å; R263-D277 PolarHBondContact NH1-OD2 3.1Å; R263-D277 IonicContact NH2-OD2 3.78Å; R263-D277 PolarHBondContact NH2-OD2 3.26Å
264L97Very high94.5Very high1 Ų143.1 Ų43.11%0.00521%0.211CC..Hα-helixtrans-73-41175.5-71172.1000111.9V203 F206 L210 M260 F261 R272V203-L264 HydrophobicContact CG1-CD2 3.75Å; F206-L264 HydrophobicContact CD1-CD1 4.29Å; F206-L264 HydrophobicContact CD1-CD2 4.1Å; F206-L264 HydrophobicContact CE1-CD1 4.41Å; F206-L264 HydrophobicContact CE1-CD2 4.46Å; L210-L264 HydrophobicContact CD2-CD1 4.28Å; M260-L264 HydrophobicContact CG-CD1 3.86Å; M260-L264 HydrophobicContact CG-CG 4.44Å; M260-L264 PolarHBondContact O-N 3.45Å; F261-L264 PolarHBondContact O-N 3.31Å; L264-R272 WeakPolarHBondContact O-CD 3.47Å
265L97.3Very high94.5Very high0 Ų042.2 Ų42.20%021%0.205CC..SBendtrans-107.730.8-171.8-60169.1000112.1W204 V208 W220 F233 Q237 W250 F261 A267W204-L265 HydrophobicContact CD2-CD2 3.8Å; W204-L265 HydrophobicContact CE3-CB 4.26Å; W204-L265 HydrophobicContact CE3-CD2 3.89Å; W204-L265 HydrophobicContact CG-CD2 4.21Å; W204-L265 HydrophobicContact CH2-CB 4.39Å; W204-L265 HydrophobicContact CH2-CD2 4.4Å; W204-L265 HydrophobicContact CZ2-CD2 4.41Å; W204-L265 HydrophobicContact CZ3-CB 3.97Å; W204-L265 HydrophobicContact CZ3-CD2 4.21Å; W204-L265 VanDerWaalsContact CZ3-O 3.24Å; W204-L265 WeakPolarHBondContact CZ3-O 3.38Å; W204-L265 VanDerWaalsContact O-CD2 3.25Å; W204-L265 WeakPolarHBondContact O-CD2 3.37Å; V208-L265 HydrophobicContact CG2-CD2 3.86Å; W220-L265 HydrophobicContact CH2-CD1 4.06Å; W220-L265 HydrophobicContact CZ2-CD2 4.49Å; F233-L265 HydrophobicContact CE1-CB 3.97Å; F233-L265 WeakPolarHBondContact CE1-O 3.31Å; F233-L265 HydrophobicContact CZ-CB 3.74Å; F233-L265 HydrophobicContact CZ-CD1 4.33Å; Q237-L265 VanDerWaalsContact NE2-C 3.34Å; Q237-L265 PolarHBondContact NE2-O 2.84Å; W250-L265 HydrophobicContact CH2-CD1 3.38Å; W250-L265 HydrophobicContact CZ2-CD1 4.06Å; W250-L265 HydrophobicContact CZ3-CD1 4.32Å; F261-L265 HydrophobicContact CD1-CD1 3.99Å; F261-L265 VanDerWaalsContact O-CB 3.27Å; F261-L265 WeakPolarHBondContact O-CB 3.29Å; F261-L265 PolarHBondContact O-N 2.67Å; L265-A267 PolarHBondContact O-N 2.78Å
266A96.1Very high94.6Very high10 Ų1042.9 Ų42.98%0.08321%0.205CC..  trans-58.1131.4173.300000110.1Q262 E268 K271 R272Q262-A266 PolarHBondContact O-N 2.79Å; A266-E268 PolarHBondContact O-N 3.37Å; A266-K271 HydrophobicContact CB-CB 3.9Å; A266-R272 HydrophobicContact CB-CG 3.85Å; A266-R272 PolarHBondContact O-NE 3.39Å; A266-R272 PolarHBondContact O-NH2 2.79Å
267A94.3Very high94.6Very high7 Ų743.1 Ų43.16%0.05821%0.206CC..SBendtrans-60.7-36.6-178.400000112.4L265L265-A267 PolarHBondContact O-N 2.78Å
268E94.4Very high94.5Very high68 Ų6843.2 Ų43.232%0.31821%0.206SC..SBendtrans-82.6121172.3-6984.6-128.600110.7A266 E270 K271A266-E268 PolarHBondContact O-N 3.37Å; E268-E270 VanDerWaalsContact C-N 3.3Å; E268-E270 WeakPolarHBondContact CB-OE1 3.49Å; E268-E270 PolarHBondContact O-N 3.25Å; E268-K271 HydrophobicContact CB-CB 4.32Å; E268-K271 HydrophobicContact CB-CD 3.99Å; E268-K271 HydrophobicContact CB-CG 3.98Å; E268-K271 HydrophobicContact CG-CD 4.45Å; E268-K271 PolarHBondContact O-N 3.2Å; E268-K271 VanDerWaalsContact O-N 3.1Å; E268-K271 WeakPolarHBondContact OE2-CD 3.24Å; E268-K271 WeakPolarHBondContact OE2-CE 3.48Å; E268-K271 IonicContact OE2-NZ 2.94Å; E268-K271 PolarHBondContact OE2-NZ 2.86Å
269P96Very high94.5Very high34 Ų3446 Ų4622%0.22122%0.218CC..G310 helixtrans-55.1-40.1-176.1-27.535.5000114.6E185 S200 K271 R272E185-P269 HydrophobicContact CB-CG 4.08Å; E185-P269 HydrophobicContact CG-CG 3.83Å; S200-P269 WeakPolarHBondContact CB-O 3.46Å; S200-P269 WeakPolarHBondContact OG-CB 3.47Å; P269-K271 PolarHBondContact O-N 2.88Å; P269-R272 WeakPolarHBondContact O-CB 3.4Å; P269-R272 PolarHBondContact O-N 3.18Å
270E95.4Very high94.4Very high150 Ų15042.8 Ų42.870%0.70122%0.216SC*.G310 helixtrans-70-18.3-178.863-81.7-17400113.9E268E268-E270 VanDerWaalsContact C-N 3.3Å; E268-E270 WeakPolarHBondContact CB-OE1 3.49Å; E268-E270 PolarHBondContact O-N 3.25Å
271K95.3Very high94.1Very high134 Ų13443.7 Ų43.758%0.58322%0.22SC*.G310 helixtrans-89.9-7.2175.4-62.5-174.5-170164.20112.6A266 E268 P269A266-K271 HydrophobicContact CB-CB 3.9Å; E268-K271 HydrophobicContact CB-CB 4.32Å; E268-K271 HydrophobicContact CB-CD 3.99Å; E268-K271 HydrophobicContact CB-CG 3.98Å; E268-K271 HydrophobicContact CG-CD 4.45Å; E268-K271 PolarHBondContact O-N 3.2Å; E268-K271 VanDerWaalsContact O-N 3.1Å; E268-K271 WeakPolarHBondContact OE2-CD 3.24Å; E268-K271 WeakPolarHBondContact OE2-CE 3.48Å; E268-K271 IonicContact OE2-NZ 2.94Å; E268-K271 PolarHBondContact OE2-NZ 2.86Å; P269-K271 PolarHBondContact O-N 2.88Å
272R97.2Very high93.8Very high21 Ų2145.1 Ų45.18%0.07923%0.228CC..PPolyproline II helixtrans-71.2136.2178.3-64.1-176.7-163.4140.712.7110.1E185 S200 V203 R263 L264 A266 P269E185-R272 IonicContact OE1-CZ 3.92Å; E185-R272 IonicContact OE1-NH1 2.9Å; E185-R272 PolarHBondContact OE1-NH1 3.26Å; E185-R272 IonicContact OE1-NH2 2.89Å; E185-R272 PolarHBondContact OE1-NH2 2.82Å; E185-R272 IonicContact OE2-CZ 2.89Å; E185-R272 IonicContact OE2-NH1 2.83Å; E185-R272 PolarHBondContact OE2-NH1 3.29Å; E185-R272 IonicContact OE2-NH2 2.74Å; E185-R272 PolarHBondContact OE2-NH2 3.18Å; S200-R272 WeakPolarHBondContact O-CD 3.38Å; S200-R272 PolarHBondContact O-NH1 2.89Å; V203-R272 HydrophobicContact CG1-CB 4.15Å; R263-R272 VanDerWaalsContact O-CA 3.28Å; R263-R272 WeakPolarHBondContact O-CA 3.44Å; L264-R272 WeakPolarHBondContact O-CD 3.47Å; A266-R272 HydrophobicContact CB-CG 3.85Å; A266-R272 PolarHBondContact O-NE 3.39Å; A266-R272 PolarHBondContact O-NH2 2.79Å; P269-R272 WeakPolarHBondContact O-CB 3.4Å; P269-R272 PolarHBondContact O-N 3.18Å
273C96.1Very high93.6Very high14 Ų1450.4 Ų50.410%0.09525%0.25CS..PPolyproline II helixtrans-72.5170.9173.365.30000112.4V203 R263 D277V203-C273 VanDerWaalsContact CG1-O 3.23Å; V203-C273 WeakPolarHBondContact CG1-O 3.47Å; V203-C273 WeakPolarHBondContact CG2-O 3.4Å; R263-C273 HydrophobicContact CB-CB 4.01Å; R263-C273 VanDerWaalsContact CB-SG 3.56Å; R263-C273 PolarHBondContact O-N 3.15Å; R263-C273 PolarHBondContact O-SG 3.31Å; R263-C273 VanDerWaalsContact O-SG 3.39Å; C273-D277 HydrophobicContact CB-CB 4.09Å; C273-D277 VanDerWaalsContact CB-OD2 3.3Å; C273-D277 WeakPolarHBondContact CB-OD2 3.47Å
274G95.8Very high93.3Very high39 Ų3949.8 Ų49.840%0.40225%0.248SC..PPolyproline II helixtrans-73154.6171.300000111.6K276 D277G274-K276 PolarHBondContact O-N 3.02Å; G274-K276 VanDerWaalsContact O-N 3.16Å; G274-D277 WeakPolarHBondContact O-CB 3.39Å; G274-D277 PolarHBondContact O-N 2.91Å
275V93Very high93.1Very high2 Ų256.3 Ų56.31%0.01228%0.279CS..G310 helixtrans-57.8-30.1177.6-67.50000113G126 L129 D130 V203 F206 D277 I278G126-V275 WeakPolarHBondContact O-CG2 3.47Å; L129-V275 HydrophobicContact CB-CB 4.48Å; L129-V275 HydrophobicContact CB-CG1 4.14Å; L129-V275 HydrophobicContact CB-CG2 3.99Å; L129-V275 HydrophobicContact CD1-CG1 4.03Å; D130-V275 HydrophobicContact CB-CG2 3.89Å; V203-V275 HydrophobicContact CB-CG1 4.47Å; V203-V275 HydrophobicContact CG2-CG1 3.9Å; F206-V275 HydrophobicContact CG-CG1 4.38Å; V275-D277 PolarHBondContact O-N 2.77Å; V275-I278 WeakPolarHBondContact O-CB 3.19Å; V275-I278 WeakPolarHBondContact O-CG2 3.23Å; V275-I278 PolarHBondContact O-N 3.19Å
276K91.6Very high92.9Very high90 Ų9056.4 Ų56.439%0.39128%0.279SS..G310 helixtrans-65.9-18.5177.6-76.7-172161.5148.20114.3D130 G274 I278 F279D130-K276 HydrophobicContact CB-CD 4.22Å; D130-K276 HydrophobicContact CB-CG 3.87Å; D130-K276 WeakPolarHBondContact OD1-CD 3.34Å; D130-K276 VanDerWaalsContact OD1-CE 3.22Å; D130-K276 WeakPolarHBondContact OD1-CE 3.42Å; D130-K276 WeakPolarHBondContact OD1-CG 3.42Å; D130-K276 IonicContact OD1-NZ 2.6Å; D130-K276 PolarHBondContact OD1-NZ 2.94Å; D130-K276 WeakPolarHBondContact OD2-CE 3.35Å; D130-K276 IonicContact OD2-NZ 2.62Å; D130-K276 PolarHBondContact OD2-NZ 3.41Å; G274-K276 PolarHBondContact O-N 3.02Å; G274-K276 VanDerWaalsContact O-N 3.16Å; K276-I278 PolarHBondContact O-N 3.35Å; K276-I278 VanDerWaalsContact O-N 3.08Å; K276-F279 HydrophobicContact CB-CD2 4.13Å; K276-F279 HydrophobicContact CB-CE2 3.96Å; K276-F279 HydrophobicContact CD-CE2 4.26Å; K276-F279 HydrophobicContact CG-CD2 4.32Å; K276-F279 HydrophobicContact CG-CE2 3.67Å; K276-F279 HydrophobicContact CG-CZ 4.31Å; K276-F279 WeakPolarHBondContact O-CB 3.27Å; K276-F279 VanDerWaalsContact O-CD2 3.3Å; K276-F279 WeakPolarHBondContact O-CD2 3.48Å; K276-F279 VanDerWaalsContact O-CG 3.31Å; K276-F279 WeakPolarHBondContact O-CG 3.48Å; K276-F279 PolarHBondContact O-N 2.95Å
277D90.7Very high92.6Very high42 Ų4257 Ų5723%0.22528%0.282CS..G310 helixtrans-61.9-21.4179.4-77.933.5000111.8R263 C273 G274 V275 F279 C280 F281R263-D277 IonicContact CZ-OD2 2.72Å; R263-D277 IonicContact NH1-OD2 3.66Å; R263-D277 PolarHBondContact NH1-OD2 3.1Å; R263-D277 IonicContact NH2-OD2 3.78Å; R263-D277 PolarHBondContact NH2-OD2 3.26Å; C273-D277 HydrophobicContact CB-CB 4.09Å; C273-D277 VanDerWaalsContact CB-OD2 3.3Å; C273-D277 WeakPolarHBondContact CB-OD2 3.47Å; G274-D277 WeakPolarHBondContact O-CB 3.39Å; G274-D277 PolarHBondContact O-N 2.91Å; V275-D277 PolarHBondContact O-N 2.77Å; D277-F279 PolarHBondContact O-N 3.38Å; D277-F279 VanDerWaalsContact O-N 3.13Å; D277-C280 WeakPolarHBondContact O-CB 3.46Å; D277-C280 PolarHBondContact O-N 3.15Å; D277-F281 WeakPolarHBondContact O-CD2 3.48Å
278I91.1Very high92.1Very high1 Ų157.5 Ų57.51%0.00529%0.285CS..G310 helixtrans-49.9-34.7169.9-167.951.6000112.4F206 L210 M260 V275 K276 C280 F281 I282F206-I278 HydrophobicContact CE1-CB 4.13Å; F206-I278 HydrophobicContact CE1-CG1 4.15Å; F206-I278 HydrophobicContact CE1-CG2 4.45Å; F206-I278 HydrophobicContact CZ-CB 4.31Å; F206-I278 HydrophobicContact CZ-CG1 4.19Å; F206-I278 HydrophobicContact CZ-CG2 4.21Å; L210-I278 HydrophobicContact CD2-CD1 3.65Å; M260-I278 HydrophobicContact CE-CD1 4.29Å; M260-I278 HydrophobicContact CG-CD1 4.31Å; M260-I278 HydrophobicContact SD-CD1 3.15Å; M260-I278 WeakPolarHBondContact SD-CD1 3.28Å; V275-I278 WeakPolarHBondContact O-CB 3.19Å; V275-I278 WeakPolarHBondContact O-CG2 3.23Å; V275-I278 PolarHBondContact O-N 3.19Å; K276-I278 PolarHBondContact O-N 3.35Å; K276-I278 VanDerWaalsContact O-N 3.08Å; I278-C280 PolarHBondContact O-N 3.2Å; I278-F281 PolarHBondContact O-N 3.46Å; I278-I282 HydrophobicContact CD1-CG2 4.18Å; I278-I282 HydrophobicContact CG1-CG2 3.87Å; I278-I282 WeakPolarHBondContact O-CG2 3.4Å; I278-I282 PolarHBondContact O-N 2.95Å
279F92.7Very high90.9Very high62 Ų6260.6 Ų60.627%0.27230%0.3SS..G310 helixtrans-66-21.6-178.2-54.3-28000113.2Q123 L127 K276 D277 F281 I282Q123-F279 HydrophobicContact CB-CE1 4.34Å; Q123-F279 HydrophobicContact CG-CD1 4.16Å; Q123-F279 HydrophobicContact CG-CE1 3.73Å; L127-F279 HydrophobicContact CD2-CE2 3.88Å; L127-F279 HydrophobicContact CD2-CZ 3.62Å; L127-F279 HydrophobicContact CG-CZ 3.77Å; K276-F279 HydrophobicContact CB-CD2 4.13Å; K276-F279 HydrophobicContact CB-CE2 3.96Å; K276-F279 HydrophobicContact CD-CE2 4.26Å; K276-F279 HydrophobicContact CG-CD2 4.32Å; K276-F279 HydrophobicContact CG-CE2 3.67Å; K276-F279 HydrophobicContact CG-CZ 4.31Å; K276-F279 WeakPolarHBondContact O-CB 3.27Å; K276-F279 VanDerWaalsContact O-CD2 3.3Å; K276-F279 WeakPolarHBondContact O-CD2 3.48Å; K276-F279 VanDerWaalsContact O-CG 3.31Å; K276-F279 WeakPolarHBondContact O-CG 3.48Å; K276-F279 PolarHBondContact O-N 2.95Å; D277-F279 PolarHBondContact O-N 3.38Å; D277-F279 VanDerWaalsContact O-N 3.13Å; F279-F281 PolarHBondContact O-N 3.45Å; F279-I282 HydrophobicContact CD1-CD1 4.12Å
280C91.3Very high89.1Confident73 Ų7366.6 Ų66.649%0.49333%0.329SS..G310 helixtrans-70.7-24.1172.4-61.90000112D277 I278 K283 Y284D277-C280 WeakPolarHBondContact O-CB 3.46Å; D277-C280 PolarHBondContact O-N 3.15Å; I278-C280 PolarHBondContact O-N 3.2Å; C280-K283 WeakPolarHBondContact O-CE 3.47Å; C280-Y284 WeakPolarHBondContact O-CE2 3.32Å
281F88Confident87.6Confident21 Ų2163.2 Ų63.29%0.09231%0.31CS..THydrogen-bonded Turntrans-108-27.7-169.6-60.2-80.6000114.2D256 R259 M260 D277 I278 F279 K283 Y284D256-F281 WeakPolarHBondContact O-CD1 3.25Å; D256-F281 WeakPolarHBondContact O-CE1 3.45Å; R259-F281 HydrophobicContact CB-CE1 4.39Å; M260-F281 HydrophobicContact CB-CB 4.21Å; M260-F281 HydrophobicContact CB-CD1 3.72Å; M260-F281 HydrophobicContact CB-CD2 3.58Å; M260-F281 HydrophobicContact CB-CE1 3.86Å; M260-F281 HydrophobicContact CB-CE2 3.75Å; M260-F281 HydrophobicContact CB-CG 3.56Å; M260-F281 HydrophobicContact CB-CZ 3.88Å; M260-F281 HydrophobicContact CG-CB 4.18Å; M260-F281 HydrophobicContact CG-CD1 4.47Å; M260-F281 HydrophobicContact CG-CD2 3.53Å; M260-F281 HydrophobicContact CG-CE2 3.97Å; M260-F281 HydrophobicContact CG-CG 3.82Å; M260-F281 HydrophobicContact SD-CB 3.57Å; M260-F281 VanDerWaalsContact SD-CB 3.57Å; M260-F281 HydrophobicContact SD-CD2 4.03Å; M260-F281 HydrophobicContact SD-CG 3.91Å; D277-F281 WeakPolarHBondContact O-CD2 3.48Å; I278-F281 PolarHBondContact O-N 3.46Å; F279-F281 PolarHBondContact O-N 3.45Å; F281-K283 PolarHBondContact O-N 3.23Å; F281-Y284 PolarHBondContact O-N 3.09Å
282I88.4Confident85.7Confident31 Ų3163.7 Ų63.716%0.15931%0.308CS..THydrogen-bonded Turntrans-59.5-19.3-178.759.7177000114.3K119 Q123 I278 F279 Y284K119-I282 VanDerWaalsContact CD-O 3.32Å; K119-I282 WeakPolarHBondContact CD-O 3.49Å; K119-I282 WeakPolarHBondContact CE-O 3.46Å; K119-I282 HydrophobicContact CG-CB 4.32Å; K119-I282 HydrophobicContact CG-CG2 4.39Å; Q123-I282 HydrophobicContact CG-CD1 4.39Å; I278-I282 HydrophobicContact CD1-CG2 4.18Å; I278-I282 HydrophobicContact CG1-CG2 3.87Å; I278-I282 WeakPolarHBondContact O-CG2 3.4Å; I278-I282 PolarHBondContact O-N 2.95Å; F279-I282 HydrophobicContact CD1-CD1 4.12Å; I282-Y284 VanDerWaalsContact C-N 3.27Å
283K88.5Confident83.3Confident149 Ų14973.1 Ų73.165%0.64834%0.344SS*.THydrogen-bonded Turntrans-75.8-13.6175.767.4-176-176.7177.70113.7C280 F281C280-K283 WeakPolarHBondContact O-CE 3.47Å; F281-K283 PolarHBondContact O-N 3.23Å
284Y90.1Very high80.7Confident96 Ų9677 Ų7738%0.37638%0.376SS..SBendtrans-101.1162.6177.7-57.2-73000110.7K119 D256 C280 F281 I282K119-Y284 VanDerWaalsContact CE-O 3.28Å; K119-Y284 WeakPolarHBondContact CE-O 3.43Å; K119-Y284 PolarHBondContact NZ-O 3.39Å; K119-Y284 VanDerWaalsContact NZ-O 3.17Å; D256-Y284 HydrophobicContact CB-CD2 4.37Å; D256-Y284 HydrophobicContact CB-CG 4.38Å; C280-Y284 WeakPolarHBondContact O-CE2 3.32Å; F281-Y284 PolarHBondContact O-N 3.09Å; I282-Y284 VanDerWaalsContact C-N 3.27Å
285E92.4Very high78.4Confident138 Ų13880.1 Ų80.165%0.64539%0.392SS*.  trans-67.2132.6166.7-67.6-173.5162.800109.7E115 T254E115-E285 VanDerWaalsContact OE1-CA 3.31Å; E115-E285 WeakPolarHBondContact OE1-CA 3.26Å; T254-E285 WeakPolarHBondContact CB-O 3.43Å; T254-E285 HydrophobicContact CG2-CB 4.26Å; T254-E285 WeakPolarHBondContact CG2-O 3.44Å; T254-E285 PolarHBondContact OG1-O 3.45Å
286L92.4Very high75.7Confident2 Ų290.5 Ų90.51%0.0143%0.433CS..SBendtrans-92.4-35.1-179.7-58.4179.9000111.7E115 K119 L210 L214 F253 T254 A257 M260E115-L286 VanDerWaalsContact CD-N 3.25Å; E115-L286 HydrophobicContact CG-CB 4.23Å; E115-L286 HydrophobicContact CG-CD1 4.36Å; E115-L286 HydrophobicContact CG-CG 4.38Å; E115-L286 PolarHBondContact OE1-N 3.1Å; E115-L286 PolarHBondContact OE2-N 2.88Å; E115-L286 VanDerWaalsContact OE2-N 3.13Å; K119-L286 HydrophobicContact CG-CD1 4.19Å; L210-L286 HydrophobicContact CD1-CD1 4.39Å; L214-L286 HydrophobicContact CD1-CB 4.15Å; L214-L286 HydrophobicContact CD1-CD1 4.17Å; L214-L286 HydrophobicContact CD2-CD1 4.46Å; F253-L286 WeakPolarHBondContact CA-O 3.15Å; T254-L286 PolarHBondContact N-O 3.01Å; T254-L286 PolarHBondContact OG1-O 3.38Å; A257-L286 HydrophobicContact CB-CB 4.24Å; A257-L286 HydrophobicContact CB-CD2 4.05Å; A257-L286 VanDerWaalsContact CB-O 3.3Å; A257-L286 WeakPolarHBondContact CB-O 3.38Å; M260-L286 HydrophobicContact CE-CD2 4.23Å
287V91Very high73.3Confident23 Ų2397.6 Ų97.614%0.13946%0.457CS..BIsolated β-bridgetrans-112131.3-178.3-174.20000110.6E115 L214 F253E115-V287 PolarHBondContact OE2-N 3.49Å; L214-V287 HydrophobicContact CB-CG2 4.43Å; L214-V287 HydrophobicContact CD2-CG2 4.01Å; F253-V287 HydrophobicContact CD1-CG2 4.24Å; F253-V287 HydrophobicContact CE1-CG2 4.31Å
288S82.9Confident70.9Confident18 Ų18100.2 Ų100.213%0.12649%0.485CS..  trans-93.6121.1177.5-177.40000111.8R252 L290 R291 R292R252-S288 PolarHBondContact O-N 2.83Å; S288-L290 VanDerWaalsContact C-N 3.3Å; S288-L290 PolarHBondContact O-N 3.37Å; S288-L290 PolarHBondContact OG-N 3.04Å; S288-R291 PolarHBondContact O-N 3.43Å; S288-R291 PolarHBondContact OG-N 2.94Å; S288-R292 PolarHBondContact O-N 2.95Å
289E68.6Low68.5Low133 Ų133109.8 Ų109.862%0.62153%0.527SS*.THydrogen-bonded Turntrans-62.4-36.1171.5-80.7-164.9165.400113.5R291 R292E289-R291 VanDerWaalsContact C-N 3.32Å; E289-R291 PolarHBondContact O-N 3.01Å; E289-R292 WeakPolarHBondContact O-CB 3.44Å; E289-R292 PolarHBondContact O-N 2.79Å; E289-R292 IonicContact OE1-CZ 2.94Å; E289-R292 IonicContact OE1-NH1 2.72Å; E289-R292 PolarHBondContact OE1-NH1 2.72Å; E289-R292 IonicContact OE1-NH2 2.96Å; E289-R292 PolarHBondContact OE1-NH2 3.18Å
290L58.8Low66Low160 Ų160118.9 Ų118.984%0.83856%0.559SS**G310 helixtrans-68.7-32.7-178.7-63.6171000111.7S288S288-L290 VanDerWaalsContact C-N 3.3Å; S288-L290 PolarHBondContact O-N 3.37Å; S288-L290 PolarHBondContact OG-N 3.04Å
291R63.7Low63.6Low78 Ų78118.9 Ų118.929%0.29457%0.571SS.*G310 helixtrans-84.8-7.4178-59.5-178.7-177.4175.8-3.2113.8Y246 R251 F253 D255 S288 E289 R293Y246-R291 PolarHBondContact OH-NH2 2.83Å; R251-R291 WeakPolarHBondContact O-CB 3.35Å; R251-R291 VanDerWaalsContact O-CD 3.23Å; R251-R291 WeakPolarHBondContact O-CD 3.29Å; F253-R291 PolarHBondContact O-NH1 2.64Å; D255-R291 IonicContact OD1-CZ 2.61Å; D255-R291 IonicContact OD1-NH1 2.72Å; D255-R291 PolarHBondContact OD1-NH1 3.13Å; D255-R291 IonicContact OD1-NH2 3.55Å; D255-R291 PolarHBondContact OD1-NH2 3.43Å; D255-R291 IonicContact OD2-CZ 3.55Å; D255-R291 IonicContact OD2-NH1 3.51Å; D255-R291 IonicContact OD2-NH2 3.75Å; D255-R291 PolarHBondContact OD2-NH2 2.96Å; S288-R291 PolarHBondContact O-N 3.43Å; S288-R291 PolarHBondContact OG-N 2.94Å; E289-R291 VanDerWaalsContact C-N 3.32Å; E289-R291 PolarHBondContact O-N 3.01Å; R291-R293 PolarHBondContact O-N 2.94Å
292R55.7Low61.2Low145 Ų145126.9 Ų126.955%0.54761%0.609SS.*G310 helixtrans-66.9-15.2176-82.5-171.7-129.8150.5-0.4114S288 E289S288-R292 PolarHBondContact O-N 2.95Å; E289-R292 WeakPolarHBondContact O-CB 3.44Å; E289-R292 PolarHBondContact O-N 2.79Å; E289-R292 IonicContact OE1-CZ 2.94Å; E289-R292 IonicContact OE1-NH1 2.72Å; E289-R292 PolarHBondContact OE1-NH1 2.72Å; E289-R292 IonicContact OE1-NH2 2.96Å; E289-R292 PolarHBondContact OE1-NH2 3.18Å
293R46.5Very low58.8Low218 Ų218137.2 Ų137.282%0.82365%0.646SS**G310 helixtrans-124.130.9-157.9-101.4-179.4171.2153.6-1.9117.7R291R291-R293 PolarHBondContact O-N 2.94Å
294A41.8Very low56.1Low95 Ų95136.3 Ų136.379%0.78566%0.659SS**SBendtrans-88.2-9.1174.600000115.3
295S46.3Very low53.4Low105 Ų105137.6 Ų137.673%0.73468%0.681SS**SBendtrans-101.7-3.2-170.149.80000116.6
296Y37.8Very low50.5Low221 Ų221136.9 Ų136.987%0.86769%0.692SS**SBendtrans-123.1-4.2-175.7-108.1-90.8000116.4
297R40.4Very low47.6Very low238 Ų238140.7 Ų140.790%0.89873%0.732SS**SBendtrans-95.70-175-138.6177-165.8175.53.1115.6
298A39.8Very low44.7Very low98 Ų98146.2 Ų146.281%0.8177%0.765SS**SBendtrans-102.226.3-175.800000115.2
299K41Very low42.1Very low202 Ų202151.6 Ų151.688%0.87880%0.801SS**SBendtrans-131.220.1175.3-91.4-170.9178.9179.70115.9
300R39.4Very low40.3Very low252 Ų252151.9 Ų151.995%0.95181%0.812SS**SBendtrans-136.380164.2-85.6-169174.5-171.7-0.8109.5
301G41.3Very low38.8Very low73 Ų73148.1 Ų148.175%0.75381%0.812SS**SBendtrans-179.332.2176.800000113.5
302E38.7Very low37Very low190 Ų190149.9 Ų149.989%0.88884%0.836SS**  trans-162.377.4172.3-112.3170.1-154.800108.8
303R37.7Very low35.7Very low248 Ų248148.5 Ų148.594%0.93685%0.847SS**  trans-174.785156.6-107176.3-171.5-160.51.5107.8
304S31.8Very low34.8Very low130 Ų130142.8 Ų142.891%0.90985%0.847SS**  trans-174.475.4152-75.40000107.6
305S32.7Very low34.1Very low122 Ų122142.9 Ų142.985%0.85385%0.848SS**  trans-119.988.5163.260.20000107.8
306S32.6Very low33.3Very low124 Ų124143.8 Ų143.887%0.86785%0.854SS**  trans-166.6121.7156.555.70000110.2
307G30.2Very low32.8Very low82 Ų82138.5 Ų138.585%0.84585%0.849SS**  trans116.380.1160.900000114.9
308V30Very low32.3Very low139 Ų139133.1 Ų133.184%0.84285%0.848SS**  trans-73.6124.1152.5172.50000107
309C28.7Very low31.7Very low131 Ų131140 Ų14089%0.88585%0.853SS**  trans-151.3127.2151.9-93.20000109.2
310T30.9Very low31.2Very low139 Ų139135.7 Ų135.785%0.85385%0.849SS**  trans-71.2146.4179.1460000112.7
311G27.8Very low30.6Very low80 Ų80128.9 Ų128.983%0.82584%0.839SS**  trans170.6112.8165.500000114
312S26.5Very low30Very low116 Ų116131.2 Ų131.281%0.81184%0.839SS**  trans-68.6152.1178.8-165.30000113.4
313C27.7Very low29.6Very low115 Ų115133.1 Ų133.178%0.77784%0.838SS**  154.9128.2123.8-81.20000114.9
314A27.4Very low29.4Very low98 Ų98129.7 Ų129.781%0.8183%0.832SS**  trans59.4113.4135.600000122.9
315A27.6Very low29.5Very low98 Ų98129.4 Ų129.481%0.8183%0.827SS**  trans17.9131.3130.500000120.7
316S28.6Very low29.4Very low123 Ų123132 Ų13286%0.8683%0.826SS**  -174.1149.2113.542.60000112.7
317S27.7Very low29.7Very low111 Ų111131.5 Ų131.578%0.77682%0.82SS**  trans-66.1151.4179.849.80000115.4
318S29.5Very low29.6Very low124 Ų124133.1 Ų133.187%0.86782%0.818SS**  -168.3140.7126.243.60000112.6
319R28.6Very low29.9Very low242 Ų242133 Ų13391%0.91382%0.818SS**  trans-90.2146.7177-75.5170.2162.8-175.8-5.2110.6
320S29.4Very low30.3Very low113 Ų113132 Ų13279%0.7981%0.81SS**  trans-178.7104.814250.20000108
321S27.6Very low30.6Very low108 Ų108131 Ų13176%0.75581%0.806SS**  68.3108.777.6-63.70000116.1
322V29Very low30.6Very low123 Ų123130.9 Ų130.975%0.74581%0.805SS**  trans77.9123.4138.5-172.70000115.2
323R29.5Very low30.7Very low230 Ų230131.3 Ų131.387%0.86880%0.802SS**  175.8148.863.2-143162.4-134-141.42.8109.8
324H34.5Very low30.8Very low175 Ų175131 Ų13181%0.8180%0.802SS**  trans-68.1155.3159.9-77.3-85.8000111.2
325P32.8Very low30.9Very low125 Ų125131.8 Ų131.881%0.81280%0.8SS**  -144.4152.310134.9-18000115
326E30.2Very low30.9Very low177 Ų177134.9 Ų134.983%0.82780%0.802SS**  trans-107.6175.3155.6-92.5-150.5169.600108.3
327P40.2Very low30.9Very low113 Ų113140.7 Ų140.773%0.73481%0.805SS**  cis-131.1167.6-23.728-7.8000112.4
328S28.2Very low30.9Very low115 Ų115141.4 Ų141.480%0.80481%0.807SS**  trans-148.8120.2163.6590000112.1
329T35.5Very low30.9Very low136 Ų136139.7 Ų139.783%0.83480%0.8SS**  trans-64.7150.2164.7-26.40000110.2
330P37.4Very low30.9Very low111 Ų111134.2 Ų134.272%0.72180%0.796SS**  -153.7-155.9104.539.6-17.3000112.6
331P36.1Very low30.8Very low118 Ų118137.3 Ų137.377%0.76680%0.803SS**  -112.8178.9-98.534.3-14.7000113.9
332G28.2Very low30.7Very low78 Ų78142 Ų14280%0.80481%0.81SS**  trans-64.9163.9-16800000117.9
333T29.3Very low30.7Very low125 Ų125147.3 Ų147.377%0.76782%0.816SS**  trans-140.3118.8166.8-340000109.1
334S30Very low30.5Very low109 Ų109141.6 Ų141.676%0.76281%0.812SS**  trans-61.9133.6165.1119.40000109.2
335C28.7Very low30.1Very low114 Ų114139.5 Ų139.577%0.7781%0.811SS**  trans-140.992.3168.7-770000110.5
336L27Very low29.7Very low163 Ų163141.6 Ų141.685%0.85382%0.815SS**  trans28.9113.7134.1-61.3166.8000118.4
337R28.6Very low29.6Very low244 Ų244138.1 Ų138.192%0.92181%0.809SS**PPolyproline II helixtrans-62.1139.4159-81.3176.4166.7175.9-3.8111.4
338P29Very low29Very low127 Ų127139.9 Ų139.983%0.82581%0.813SS**PPolyproline II helixtrans-86.1130.9157.2-9.527.2000111.3
339A29.1Very low29.3Very low88 Ų88140.6 Ų140.673%0.72782%0.815SS**PPolyproline II helixtrans-75.1154.3170.200000111.4
340P29.4Very low28.9Very low127 Ų127142 Ų14283%0.82582%0.817SS**PPolyproline II helixtrans-75.6138.8-175.128.3-31.8000112.9
341L27Very low28.5Very low178 Ų178141.9 Ų141.993%0.93282%0.818SS**PPolyproline II helixtrans-70.6127.7177.6-73.3161.6000111.1
342K25.2Very low28.9Very low207 Ų207141.7 Ų141.790%0.982%0.817SS**PPolyproline II helixtrans-71.9130.8173.4-67.9178.1177.9179.20109.9
343R28.2Very low28.9Very low233 Ų233149.1 Ų149.188%0.87982%0.821SS**PPolyproline II helixtrans-81.6121.6173.4-157.2172.1-167.3173.82.6109.2
344S26.1Very low28.8Very low110 Ų110150.2 Ų150.277%0.76982%0.822SS**PPolyproline II helixtrans-74.2136.8177.649.50000111.7
345V24.9Very low28.7Very low131 Ų131153.9 Ų153.979%0.79483%0.827SS**PPolyproline II helixtrans-74.4134.9171.7176.40000109.1
346L26.1Very low28.6Very low170 Ų170153.3 Ų153.389%0.8983%0.83SS**  trans-129.5130.4157.5-85.9167.4000109.2
347S27.2Very low28.6Very low103 Ų103149 Ų14972%0.7283%0.825SS**  trans-81.8155.2-169.539.30000113.8
348D28.6Very low28.6Very low150 Ų150146 Ų14680%0.80282%0.822SS**  trans-52.8164.1168.3-70.9-43000113.4
349P32.6Very low28.4Very low131 Ų131147.9 Ų147.985%0.85182%0.819SS**  -137.8155.9109.228.5-11.4000116
350L28.6Very low28.3Very low166 Ų166152.7 Ų152.787%0.86983%0.827SS**  trans-69.4156.3176.3-76.2139.8000114.4
351S27.5Very low28.1Very low108 Ų108152.1 Ų152.176%0.75583%0.825SS**  trans-57-164.8176-20.20000116.4
352P45.3Very low28.6Very low114 Ų114150 Ų15074%0.7482%0.822SS**  cis-131.4170.9-49.632.2-13.7000112.9
353R27.6Very low28.7Very low233 Ų233144.1 Ų144.188%0.87982%0.82SS**  trans174.3126.1139.6-100.2169.9-179.5-166.70.1114.6
354D27.5Very low28.7Very low149 Ų149143.3 Ų143.380%0.79782%0.817SS**  trans37.3136.3133.2-64.6-34.3000125.7
355E28.7Very low28.8Very low185 Ų185146.1 Ų146.186%0.86482%0.824SS**  trans83.1114.2146-72.9-157.8154.500124.2
356A26.9Very low29.1Very low102 Ų102148 Ų14884%0.84382%0.821SS**  64.7129.7126.300000122.2
357G26.5Very low29.2Very low72 Ų72146.8 Ų146.874%0.74282%0.816SS**  trans132.991.8143.800000118.6
358Q27.7Very low29.3Very low182 Ų182151.8 Ų151.885%0.8582%0.824SS**  trans53.5125.1137.5-70.9179.4-1.800123.8
359H26.2Very low29.4Very low166 Ų166150.4 Ų150.477%0.76983%0.827SS**  trans47.2114.6135.5-75.7-50.6000121.3
360Q26.8Very low29Very low190 Ų190152.3 Ų152.389%0.88882%0.824SS**  179.4139.1104.5-94.1171.145.400111.6
361S25Very low28.9Very low114 Ų114152.6 Ų152.680%0.79782%0.823SS**  trans-117.3165.3158.1-64.20000105.9
362P38.2Very low28.8Very low134 Ų134153.2 Ų153.287%0.8782%0.822SS**  cis-142.8163.224.537.2-15.9000116.3
363G27.2Very low27.9Very low83 Ų83155.4 Ų155.486%0.85683%0.825SS**  trans-153.5116170.200000110.4
364R27.9Very low27.8Very low216 Ų216148.6 Ų148.682%0.81582%0.818SS**  trans-100.5117.3-164.2-178.2-171.8-167.5-1763.7108.8
365D28.1Very low27.8Very low169 Ų169147.4 Ų147.490%0.90482%0.816SS**  trans-140119.3158.3-95.7-33.4000110.8
366K30.9Very low27.9Very low170 Ų170142.8 Ų142.874%0.73981%0.81SS**  trans-99.5119.4-177.4-79.7-174.7173.7-174.20110.4
367N27.8Very low28.5Very low145 Ų145144.5 Ų144.578%0.77580%0.803SS**  trans49.697.6138.1-67.21.9000119.3
368K29.2Very low28.6Very low208 Ų208150 Ų15090%0.90481%0.81SS**  trans-99.2113.2135.7-82.1-179.9177.8174.20108.4Q370K368-Q370 PolarHBondContact O-N 2.96Å
369S31.2Very low28.7Very low122 Ų122147.6 Ų147.685%0.85380%0.801SS**  trans-63.497172.3-60.30000109.7
370Q24.8Very low28.8Very low171 Ų171143.9 Ų143.980%0.79979%0.793SS**  trans-98105.2166.3-162.9158.10.800107.5K368 V372K368-Q370 PolarHBondContact O-N 2.96Å; Q370-V372 PolarHBondContact O-N 2.72Å
371M25.8Very low28.9Very low171 Ų171143.8 Ų143.884%0.84281%0.805SS**  trans-67.793.8174.6-166.5174.973.100107.7M373M371-M373 PolarHBondContact O-N 3.4Å
372V25.6Very low29.1Very low122 Ų122145.3 Ų145.374%0.73981%0.805SS**  trans-82.1109.2172.2-174.50000106.8Q370 A374Q370-V372 PolarHBondContact O-N 2.72Å; V372-A374 PolarHBondContact O-N 3Å
373M26.1Very low28.6Very low160 Ų160145.8 Ų145.879%0.78880%0.802SS**  trans-60.9101166.8-73.2-97.3-78.600107.4M371 T375M371-M373 PolarHBondContact O-N 3.4Å; M373-T375 PolarHBondContact O-N 2.94Å
374A25.1Very low28.7Very low90 Ų90149.3 Ų149.374%0.74480%0.799SS**  trans-67.8111.8173.600000108.4V372 A376V372-A374 PolarHBondContact O-N 3Å; A374-A376 PolarHBondContact O-N 2.99Å
375T27.9Very low28.7Very low124 Ų124145.4 Ų145.476%0.76180%0.798SS**  trans-66.1116.8169.5-22.30000107.5M373 I377M373-T375 PolarHBondContact O-N 2.94Å; T375-I377 PolarHBondContact O-N 2.99Å
376A30.2Very low28.7Very low88 Ų88143.9 Ų143.973%0.72779%0.791SS**SBendtrans-70.673.4179.200000111.5A374A374-A376 PolarHBondContact O-N 2.99Å
377I40.2Very low28.6Very low138 Ų138142.2 Ų142.271%0.70880%0.795SS**  trans-148.378.5169-52.8179000107.9T375T375-I377 PolarHBondContact O-N 2.99Å
378E27.9Very low28.6Very low188 Ų188142 Ų14288%0.87980%0.796SS**  trans-17033.1158.6-113.8176.2-150.600113.9
379I30.3Very low28.6Very low130 Ų130136.9 Ų136.967%0.66779%0.788SS**  trans-13071172.5-47.9178.4000109
380C29.3Very low28.4Very low88 Ų88138.2 Ų138.260%0.59578%0.782SS**  trans-169.577.4157.9-93.30000108
381V27.6Very low28.7Very low188 Ų188135.2 Ų135.2100%1.13978%0.781SS**  trans-1380160.3-1740000108.6

Retrieved 381 of 381 residues in 791.5 ms (Link to these results)

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