A0A3Q0KVL4_SCHMA Loading...

PCI domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KVL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 281 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
1M53.2Low86Confident172 Ų17277.3 Ų77.385%0.84742%0.42SS*.  0-50.80-68.3-59.5170.800113.1
2S71.4Confident86.7Confident73 Ų7377.8 Ų77.851%0.5142%0.417SS..Hα-helixtrans-64.6-42.7177.650.50000113.3E4 K5 L6S2-E4 PolarHBondContact O-N 2.98Å; S2-K5 PolarHBondContact O-N 3.09Å; S2-L6 WeakPolarHBondContact O-CB 3.33Å; S2-L6 PolarHBondContact O-N 2.95Å
3S81.1Confident87.2Confident63 Ų6371.8 Ų71.844%0.44139%0.385SS..Hα-helixtrans-58.7-46.7-178.9-156.40000113.5K5 L6 E7S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.49Å; S3-L6 WeakPolarHBondContact O-CB 3.38Å; S3-L6 PolarHBondContact O-N 3.5Å; S3-E7 WeakPolarHBondContact O-CG 3.37Å; S3-E7 PolarHBondContact O-N 3.1Å; S3-E7 PolarHBondContact OG-OE1 3.4Å
4E88.1Confident87.5Confident133 Ų13371.3 Ų71.362%0.62139%0.39SS*.Hα-helixtrans-63.1-39.1-178.9-67.1169.7-158.500112.3S2 S8S2-E4 PolarHBondContact O-N 2.98Å; E4-S8 WeakPolarHBondContact O-CB 3.34Å; E4-S8 PolarHBondContact O-N 2.93Å
5K89.7Confident87.8Confident79 Ų7974.9 Ų74.934%0.34341%0.409SS..Hα-helixtrans-67.8-43.1176.7-70.8170.2167.7-177.30111S2 S3 S8 F9 P32S2-K5 PolarHBondContact O-N 3.09Å; S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.49Å; K5-S8 PolarHBondContact O-N 3.13Å; K5-F9 WeakPolarHBondContact O-CD2 3.46Å; K5-F9 PolarHBondContact O-N 3.33Å; K5-P32 PolarHBondContact NZ-O 3.34Å
6L91.2Very high88.1Confident22 Ų2271.9 Ų71.912%0.11539%0.394CS..Hα-helixtrans-57.8-54.2176.7-176.877.9000110.6S2 S3 S8 F9 L10 L34 F40S2-L6 WeakPolarHBondContact O-CB 3.33Å; S2-L6 PolarHBondContact O-N 2.95Å; S3-L6 WeakPolarHBondContact O-CB 3.38Å; S3-L6 PolarHBondContact O-N 3.5Å; L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 3.22Å; L6-F9 PolarHBondContact O-N 2.88Å; L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 3.37Å; L6-L34 HydrophobicContact CB-CD1 4.43Å; L6-L34 HydrophobicContact CD1-CD1 3.94Å; L6-F40 HydrophobicContact CD1-CD2 4.42Å; L6-F40 HydrophobicContact CD1-CE1 4.46Å; L6-F40 HydrophobicContact CD1-CE2 3.51Å; L6-F40 HydrophobicContact CD1-CZ 3.56Å; L6-F40 HydrophobicContact CG-CZ 4.49Å
7E92.7Very high88.3Confident121 Ų12173.7 Ų73.757%0.56540%0.403SS*.Hα-helixtrans-59.7-41.8179.3-72.6173.4-150.600112.4S3 F9 L10 S11S3-E7 WeakPolarHBondContact O-CG 3.37Å; S3-E7 PolarHBondContact O-N 3.1Å; S3-E7 PolarHBondContact OG-OE1 3.4Å; E7-F9 PolarHBondContact O-N 3.32Å; E7-L10 PolarHBondContact O-N 3.31Å; E7-S11 WeakPolarHBondContact O-CB 3.42Å; E7-S11 PolarHBondContact O-N 3.29Å
8S94.2Very high88.3Confident58 Ų5874.9 Ų74.941%0.40641%0.408SS..Hα-helixtrans-60-46.6175.7-179.40000111.8E4 K5 L6 S11 Q12E4-S8 WeakPolarHBondContact O-CB 3.34Å; E4-S8 PolarHBondContact O-N 2.93Å; K5-S8 PolarHBondContact O-N 3.13Å; L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 3.22Å; S8-S11 PolarHBondContact O-N 3.14Å; S8-Q12 WeakPolarHBondContact O-CG 3.41Å; S8-Q12 PolarHBondContact O-N 2.88Å; S8-Q12 PolarHBondContact OG-NE2 3.07Å
9F95.5Very high88.4Confident28 Ų2875.4 Ų75.412%0.12342%0.417CS..Hα-helixtrans-68.8-35.2178.2-79.4-60.1000113K5 L6 E7 Q12 L13 L24 I28 C31 L34 F40K5-F9 WeakPolarHBondContact O-CD2 3.46Å; K5-F9 PolarHBondContact O-N 3.33Å; L6-F9 PolarHBondContact O-N 2.88Å; E7-F9 PolarHBondContact O-N 3.32Å; F9-Q12 PolarHBondContact O-N 3.18Å; F9-L13 VanDerWaalsContact O-CB 3.25Å; F9-L13 WeakPolarHBondContact O-CB 3.3Å; F9-L13 PolarHBondContact O-N 2.95Å; F9-L24 HydrophobicContact CD1-CD1 3.84Å; F9-L24 HydrophobicContact CE1-CD1 4.22Å; F9-I28 HydrophobicContact CB-CD1 4.3Å; F9-I28 HydrophobicContact CB-CG1 3.93Å; F9-I28 HydrophobicContact CD1-CD1 4.39Å; F9-I28 HydrophobicContact CD1-CG1 3.53Å; F9-I28 HydrophobicContact CD2-CG1 4.24Å; F9-I28 HydrophobicContact CE1-CG1 4.04Å; F9-I28 HydrophobicContact CG-CD1 4.49Å; F9-I28 HydrophobicContact CG-CG1 3.65Å; F9-C31 HydrophobicContact CE2-CB 3.75Å; F9-C31 HydrophobicContact CZ-CB 4.26Å; F9-L34 HydrophobicContact CD2-CD2 4.48Å; F9-F40 HydrophobicContact CB-CE1 3.55Å; F9-F40 HydrophobicContact CB-CZ 3.75Å
10L94.5Very high88.7Confident34 Ų3477.6 Ų77.618%0.17842%0.422CS..Hα-helixtrans-66.9-38.6175.3-71.1171.2000112.1L6 E7 L13 S14 E39 F40L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 3.37Å; E7-L10 PolarHBondContact O-N 3.31Å; L10-L13 WeakPolarHBondContact O-CB 3.44Å; L10-L13 PolarHBondContact O-N 3.13Å; L10-S14 PolarHBondContact O-N 2.88Å; L10-S14 PolarHBondContact O-OG 2.93Å; L10-E39 HydrophobicContact CD1-CB 4.39Å; L10-E39 VanDerWaalsContact CD1-OE2 3.25Å; L10-E39 WeakPolarHBondContact CD1-OE2 3.24Å; L10-E39 HydrophobicContact CD2-CB 4.41Å; L10-F40 HydrophobicContact CD2-CD1 3.61Å; L10-F40 HydrophobicContact CD2-CE1 3.72Å; L10-F40 HydrophobicContact CG-CD1 4.26Å; L10-F40 HydrophobicContact CG-CE1 3.83Å
11S94.1Very high88.9Confident67 Ų6774 Ų7447%0.46940%0.403SS..Hα-helixtrans-64.2-44.1172.4-1790000111.6E7 S8 L13 S14 N15E7-S11 WeakPolarHBondContact O-CB 3.42Å; E7-S11 PolarHBondContact O-N 3.29Å; S8-S11 PolarHBondContact O-N 3.14Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.45Å; S11-S14 WeakPolarHBondContact O-CB 3.49Å; S11-S14 PolarHBondContact O-N 3.42Å; S11-N15 PolarHBondContact O-N 3.41Å; S11-N15 PolarHBondContact O-ND2 2.9Å
12Q94.4Very high90.9Very high83 Ų8366.5 Ų66.539%0.38837%0.367SS..Hα-helixtrans-61-44.3173.7-72.7174.841.100111.3S8 F9 S14 N15 T16 L24S8-Q12 WeakPolarHBondContact O-CG 3.41Å; S8-Q12 PolarHBondContact O-N 2.88Å; S8-Q12 PolarHBondContact OG-NE2 3.07Å; F9-Q12 PolarHBondContact O-N 3.18Å; Q12-S14 VanDerWaalsContact C-N 3.28Å; Q12-S14 PolarHBondContact O-N 3.19Å; Q12-N15 CarbonylContact O-C 3.53Å; Q12-N15 PolarHBondContact O-N 3.28Å; Q12-T16 VanDerWaalsContact O-CB 3.26Å; Q12-T16 WeakPolarHBondContact O-CB 3.23Å; Q12-T16 PolarHBondContact O-N 3.27Å; Q12-T16 PolarHBondContact O-OG1 3.46Å; Q12-L24 HydrophobicContact CB-CD1 4.19Å; Q12-L24 HydrophobicContact CB-CD2 4.39Å
13L93.2Very high92Very high0 Ų069.4 Ų69.40%037%0.373CS..Hα-helixtrans-58.2-43.2178.2-169.362.5000110.9F9 L10 S11 N15 T16 L21 L24 F40 H43 K45 I46F9-L13 VanDerWaalsContact O-CB 3.25Å; F9-L13 WeakPolarHBondContact O-CB 3.3Å; F9-L13 PolarHBondContact O-N 2.95Å; L10-L13 WeakPolarHBondContact O-CB 3.44Å; L10-L13 PolarHBondContact O-N 3.13Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.45Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 2.91Å; L13-T16 PolarHBondContact O-N 3.07Å; L13-L21 HydrophobicContact CD1-CD1 3.34Å; L13-L24 HydrophobicContact CB-CD2 4.06Å; L13-L24 HydrophobicContact CD1-CD2 3.71Å; L13-F40 HydrophobicContact CD2-CD1 4.21Å; L13-H43 HydrophobicContact CD2-CB 3.54Å; L13-H43 WeakPolarHBondContact CD2-ND1 3.38Å; L13-K45 WeakPolarHBondContact O-CD 3.31Å; L13-K45 VanDerWaalsContact O-CE 3.3Å; L13-K45 WeakPolarHBondContact O-CE 3.48Å; L13-K45 PolarHBondContact O-NZ 3.31Å; L13-I46 HydrophobicContact CD1-CD1 4.02Å; L13-I46 HydrophobicContact CD1-CG1 4.13Å; L13-I46 HydrophobicContact CD2-CG1 3.93Å
14S91.9Very high92.7Very high65 Ų6567 Ų6746%0.45536%0.355SS..Hα-helixtrans-60-32.4175.4-61.30000113.5L10 S11 Q12 K45L10-S14 PolarHBondContact O-N 2.88Å; L10-S14 PolarHBondContact O-OG 2.93Å; S11-S14 WeakPolarHBondContact O-CB 3.49Å; S11-S14 PolarHBondContact O-N 3.42Å; Q12-S14 VanDerWaalsContact C-N 3.28Å; Q12-S14 PolarHBondContact O-N 3.19Å; S14-K45 WeakPolarHBondContact O-CE 3.46Å; S14-K45 PolarHBondContact O-NZ 2.87Å
15N92.2Very high93.1Very high125 Ų12560.6 Ų60.667%0.66833%0.325SS*.Hα-helixtrans-99.7-9.8-177.1-64.9-54.2000114.8S11 Q12 L13S11-N15 PolarHBondContact O-N 3.41Å; S11-N15 PolarHBondContact O-ND2 2.9Å; Q12-N15 CarbonylContact O-C 3.53Å; Q12-N15 PolarHBondContact O-N 3.28Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 2.91Å
16T91.9Very high93.4Very high28 Ų2858.9 Ų58.917%0.17232%0.318CS..  trans-82.8137.3-173.5-64.70000112.4Q12 L13 K20 L24 K45Q12-T16 VanDerWaalsContact O-CB 3.26Å; Q12-T16 WeakPolarHBondContact O-CB 3.23Å; Q12-T16 PolarHBondContact O-N 3.27Å; Q12-T16 PolarHBondContact O-OG1 3.46Å; L13-T16 PolarHBondContact O-N 3.07Å; T16-K20 HydrophobicContact CG2-CB 3.66Å; T16-L24 HydrophobicContact CG2-CD2 4.14Å; T16-K45 PolarHBondContact O-NZ 2.91Å
17D91.3Very high93.6Very high102 Ų10260 Ų6055%0.54533%0.328SS..  trans-71.3150.6172.5-60.3-44.9000111.5S19 K20 L21D17-S19 PolarHBondContact O-N 2.89Å; D17-S19 VanDerWaalsContact O-N 3.13Å; D17-K20 PolarHBondContact O-N 2.99Å; D17-L21 PolarHBondContact O-N 3Å
18L88.2Confident93.8Very high95 Ų9554.3 Ų54.350%0.49730%0.301SS..G310 helixtrans-55.8-33.5-179.1-75.1166000113.4K20 L21 I49 Y54L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 2.88Å; L18-L21 HydrophobicContact CD2-CD2 4.18Å; L18-L21 VanDerWaalsContact O-CB 3.28Å; L18-L21 WeakPolarHBondContact O-CB 3.33Å; L18-L21 PolarHBondContact O-N 3.31Å; L18-I49 HydrophobicContact CD2-CG2 4.04Å; L18-Y54 WeakPolarHBondContact O-CE2 3.35Å
19S90.6Very high93.9Very high84 Ų8451.5 Ų51.559%0.58728%0.282SS*.G310 helixtrans-67.2-24.4178.955.50000114D17D17-S19 PolarHBondContact O-N 2.89Å; D17-S19 VanDerWaalsContact O-N 3.13Å
20K93.7Very high93.9Very high119 Ų11952.7 Ų52.752%0.51729%0.288SS..G310 helixtrans-98.6-7.3178.6-65.8179.4-177.1172.50112.8T16 D17 L18 P22 E23 L24T16-K20 HydrophobicContact CG2-CB 3.66Å; D17-K20 PolarHBondContact O-N 2.99Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 2.88Å; K20-P22 VanDerWaalsContact C-CD 3.49Å; K20-E23 PolarHBondContact O-N 2.89Å; K20-L24 PolarHBondContact O-N 3.46Å; K20-L24 VanDerWaalsContact O-N 3.13Å
21L94.3Very high93.9Very high2 Ų251.7 Ų51.71%0.0128%0.283CS..Hα-helixtrans-57.6-40.4-179.4-174.460.5000113.5L13 D17 L18 E23 L24 I25 I46 I49L13-L21 HydrophobicContact CD1-CD1 3.34Å; D17-L21 PolarHBondContact O-N 3Å; L18-L21 HydrophobicContact CD2-CD2 4.18Å; L18-L21 VanDerWaalsContact O-CB 3.28Å; L18-L21 WeakPolarHBondContact O-CB 3.33Å; L18-L21 PolarHBondContact O-N 3.31Å; L21-E23 VanDerWaalsContact C-N 3.34Å; L21-E23 PolarHBondContact O-N 3.45Å; L21-L24 PolarHBondContact O-N 3.19Å; L21-I25 HydrophobicContact CD1-CD1 4.23Å; L21-I25 HydrophobicContact CD1-CG1 4.25Å; L21-I25 HydrophobicContact CG-CD1 3.89Å; L21-I25 HydrophobicContact CG-CG1 4.38Å; L21-I25 WeakPolarHBondContact O-CG1 3.34Å; L21-I25 PolarHBondContact O-N 3.42Å; L21-I46 HydrophobicContact CD1-CD1 3.77Å; L21-I46 HydrophobicContact CD2-CD1 4.38Å; L21-I46 HydrophobicContact CG-CD1 4.32Å; L21-I49 HydrophobicContact CD2-CD1 3.78Å; L21-I49 HydrophobicContact CD2-CG1 4.15Å; L21-I49 HydrophobicContact CD2-CG2 3.77Å; L21-I49 HydrophobicContact CG-CD1 4.39Å
22P94.7Very high93.8Very high16 Ų1652.7 Ų52.710%0.10429%0.288CS..Hα-helixtrans-53.1-46.3173.1-33.140.9000114.3K20 I25 Q26 Y54 Y57K20-P22 VanDerWaalsContact C-CD 3.49Å; P22-I25 PolarHBondContact O-N 3.47Å; P22-Q26 VanDerWaalsContact O-CB 3.29Å; P22-Q26 WeakPolarHBondContact O-CB 3.43Å; P22-Q26 WeakPolarHBondContact O-CG 3.45Å; P22-Q26 PolarHBondContact O-N 3.32Å; P22-Y54 HydrophobicContact CG-CD1 3.61Å; P22-Y54 HydrophobicContact CG-CD2 4.47Å; P22-Y54 HydrophobicContact CG-CE1 3.74Å; P22-Y54 HydrophobicContact CG-CG 4.01Å; P22-Y57 HydrophobicContact CB-CD1 4.14Å; P22-Y57 HydrophobicContact CB-CD2 4.07Å; P22-Y57 HydrophobicContact CB-CE1 3.78Å; P22-Y57 HydrophobicContact CB-CE2 3.7Å; P22-Y57 HydrophobicContact CB-CG 4.28Å; P22-Y57 HydrophobicContact CG-CD2 4.11Å; P22-Y57 HydrophobicContact CG-CE2 3.98Å
23E94.9Very high93.6Very high133 Ų13349.6 Ų49.662%0.62128%0.279SS*.Hα-helixtrans-68.9-36-179.4-173178.3-173.500111.6K20 L21 Q26 S27K20-E23 PolarHBondContact O-N 2.89Å; L21-E23 VanDerWaalsContact C-N 3.34Å; L21-E23 PolarHBondContact O-N 3.45Å; E23-Q26 WeakPolarHBondContact O-CB 3.46Å; E23-Q26 PolarHBondContact O-N 2.88Å; E23-S27 PolarHBondContact O-N 3.1Å; E23-S27 PolarHBondContact O-OG 3.34Å
24L95.8Very high93.7Very high12 Ų1249.8 Ų49.86%0.06328%0.28CS..Hα-helixtrans-67.6-46.1175.1-177.360.7000111.8F9 Q12 L13 T16 K20 L21 Q26 S27 I28F9-L24 HydrophobicContact CD1-CD1 3.84Å; F9-L24 HydrophobicContact CE1-CD1 4.22Å; Q12-L24 HydrophobicContact CB-CD1 4.19Å; Q12-L24 HydrophobicContact CB-CD2 4.39Å; L13-L24 HydrophobicContact CB-CD2 4.06Å; L13-L24 HydrophobicContact CD1-CD2 3.71Å; T16-L24 HydrophobicContact CG2-CD2 4.14Å; K20-L24 PolarHBondContact O-N 3.46Å; K20-L24 VanDerWaalsContact O-N 3.13Å; L21-L24 PolarHBondContact O-N 3.19Å; L24-Q26 VanDerWaalsContact C-N 3.25Å; L24-Q26 PolarHBondContact O-N 3.36Å; L24-S27 WeakPolarHBondContact O-CB 3.42Å; L24-S27 PolarHBondContact O-N 3.3Å; L24-I28 HydrophobicContact CD1-CD1 4.33Å; L24-I28 HydrophobicContact CD1-CG1 4.42Å; L24-I28 HydrophobicContact CG-CD1 3.93Å; L24-I28 HydrophobicContact CG-CG1 4.47Å; L24-I28 VanDerWaalsContact O-CG1 3.3Å; L24-I28 WeakPolarHBondContact O-CG1 3.47Å; L24-I28 PolarHBondContact O-N 2.89Å
25I96.6Very high93.8Very high0 Ų047.2 Ų47.20%026%0.26CS..Hα-helixtrans-59.1-42.6176.1-71.4168000110.4L21 P22 S27 I28 T29 I46 I49 Y57 L60 M61L21-I25 HydrophobicContact CD1-CD1 4.23Å; L21-I25 HydrophobicContact CD1-CG1 4.25Å; L21-I25 HydrophobicContact CG-CD1 3.89Å; L21-I25 HydrophobicContact CG-CG1 4.38Å; L21-I25 WeakPolarHBondContact O-CG1 3.34Å; L21-I25 PolarHBondContact O-N 3.42Å; P22-I25 PolarHBondContact O-N 3.47Å; I25-S27 PolarHBondContact O-N 3.27Å; I25-I28 PolarHBondContact O-N 2.96Å; I25-T29 HydrophobicContact CG2-CG2 4.48Å; I25-T29 WeakPolarHBondContact O-CB 3.3Å; I25-T29 WeakPolarHBondContact O-CG2 3.19Å; I25-T29 PolarHBondContact O-N 2.87Å; I25-T29 PolarHBondContact O-OG1 3.43Å; I25-I46 HydrophobicContact CD1-CD1 3.47Å; I25-I46 VanDerWaalsContact CD1-CD1 3.47Å; I25-I46 HydrophobicContact CG1-CD1 3.57Å; I25-I49 HydrophobicContact CD1-CD1 3.75Å; I25-Y57 HydrophobicContact CB-CD1 4.48Å; I25-Y57 HydrophobicContact CG2-CD1 4.27Å; I25-L60 HydrophobicContact CG2-CD2 4Å; I25-M61 HydrophobicContact CB-CE 4.35Å; I25-M61 HydrophobicContact CG1-CE 4.06Å; I25-M61 HydrophobicContact CG2-CE 3.94Å
26Q95.7Very high93.9Very high43 Ų4344 Ų4420%0.20125%0.245CC..Hα-helixtrans-55.3-50.1172-88.3-170.66200111.2P22 E23 L24 I28 T29 E30 Y57 R83P22-Q26 VanDerWaalsContact O-CB 3.29Å; P22-Q26 WeakPolarHBondContact O-CB 3.43Å; P22-Q26 WeakPolarHBondContact O-CG 3.45Å; P22-Q26 PolarHBondContact O-N 3.32Å; E23-Q26 WeakPolarHBondContact O-CB 3.46Å; E23-Q26 PolarHBondContact O-N 2.88Å; L24-Q26 VanDerWaalsContact C-N 3.25Å; L24-Q26 PolarHBondContact O-N 3.36Å; Q26-I28 PolarHBondContact O-N 2.87Å; Q26-T29 PolarHBondContact O-N 3.12Å; Q26-T29 PolarHBondContact O-OG1 2.98Å; Q26-E30 PolarHBondContact O-N 3.36Å; Q26-E30 VanDerWaalsContact O-N 3.1Å; Q26-Y57 HydrophobicContact CG-CE1 4.13Å; Q26-Y57 PolarHBondContact NE2-OH 3.3Å; Q26-R83 PolarHBondContact O-NH2 3.43Å; Q26-R83 VanDerWaalsContact OE1-NE 3.15Å
27S96Very high94Very high46 Ų4642.7 Ų42.732%0.32224%0.237SC..Hα-helixtrans-63.8-40.7179.1-59.30000113.3E23 L24 I25 E30 C31E23-S27 PolarHBondContact O-N 3.1Å; E23-S27 PolarHBondContact O-OG 3.34Å; L24-S27 WeakPolarHBondContact O-CB 3.42Å; L24-S27 PolarHBondContact O-N 3.3Å; I25-S27 PolarHBondContact O-N 3.27Å; S27-E30 PolarHBondContact O-N 2.93Å; S27-C31 PolarHBondContact O-N 2.89Å
28I96.2Very high94.2Very high0 Ų038.1 Ų38.10%021%0.214CC..Hα-helixtrans-61.3-49.5176.3-70.1165.1000110.4F9 L24 I25 Q26 E30 C31 L34 F37 F40 M61 K89F9-I28 HydrophobicContact CB-CD1 4.3Å; F9-I28 HydrophobicContact CB-CG1 3.93Å; F9-I28 HydrophobicContact CD1-CD1 4.39Å; F9-I28 HydrophobicContact CD1-CG1 3.53Å; F9-I28 HydrophobicContact CD2-CG1 4.24Å; F9-I28 HydrophobicContact CE1-CG1 4.04Å; F9-I28 HydrophobicContact CG-CD1 4.49Å; F9-I28 HydrophobicContact CG-CG1 3.65Å; L24-I28 HydrophobicContact CD1-CD1 4.33Å; L24-I28 HydrophobicContact CD1-CG1 4.42Å; L24-I28 HydrophobicContact CG-CD1 3.93Å; L24-I28 HydrophobicContact CG-CG1 4.47Å; L24-I28 VanDerWaalsContact O-CG1 3.3Å; L24-I28 WeakPolarHBondContact O-CG1 3.47Å; L24-I28 PolarHBondContact O-N 2.89Å; I25-I28 PolarHBondContact O-N 2.96Å; Q26-I28 PolarHBondContact O-N 2.87Å; I28-E30 PolarHBondContact O-N 3.04Å; I28-C31 WeakPolarHBondContact O-CB 3.37Å; I28-C31 PolarHBondContact O-N 3.43Å; I28-C31 VanDerWaalsContact O-N 3.12Å; I28-L34 HydrophobicContact CG2-CD2 3.97Å; I28-F37 HydrophobicContact CG2-CD1 4.05Å; I28-F37 HydrophobicContact CG2-CE1 4.1Å; I28-F40 HydrophobicContact CD1-CD1 3.88Å; I28-F40 HydrophobicContact CD1-CE1 3.95Å; I28-F40 HydrophobicContact CD1-CG 4.4Å; I28-F40 HydrophobicContact CG1-CE1 4.35Å; I28-F40 HydrophobicContact CG2-CD1 4.44Å; I28-F40 HydrophobicContact CG2-CD2 3.73Å; I28-F40 HydrophobicContact CG2-CE1 4.34Å; I28-F40 HydrophobicContact CG2-CE2 3.64Å; I28-F40 HydrophobicContact CG2-CG 4.15Å; I28-F40 HydrophobicContact CG2-CZ 3.94Å; I28-M61 HydrophobicContact CB-CE 4.49Å; I28-M61 HydrophobicContact CD1-CE 4.43Å; I28-M61 HydrophobicContact CG2-CE 4.07Å; I28-K89 PolarHBondContact O-NZ 2.65Å
29T96.4Very high94.4Very high0 Ų038.5 Ų38.50%021%0.213CC..Hα-helixtrans-69.6-17.4-178.550.70000113I25 Q26 L60 F64 Q86 K89I25-T29 HydrophobicContact CG2-CG2 4.48Å; I25-T29 WeakPolarHBondContact O-CB 3.3Å; I25-T29 WeakPolarHBondContact O-CG2 3.19Å; I25-T29 PolarHBondContact O-N 2.87Å; I25-T29 PolarHBondContact O-OG1 3.43Å; Q26-T29 PolarHBondContact O-N 3.12Å; Q26-T29 PolarHBondContact O-OG1 2.98Å; T29-L60 HydrophobicContact CG2-CG 4.37Å; T29-F64 HydrophobicContact CG2-CB 4.39Å; T29-F64 HydrophobicContact CG2-CD1 3.9Å; T29-F64 HydrophobicContact CG2-CD2 4.06Å; T29-F64 HydrophobicContact CG2-CE1 4.18Å; T29-F64 HydrophobicContact CG2-CE2 4.34Å; T29-F64 HydrophobicContact CG2-CG 3.83Å; T29-F64 HydrophobicContact CG2-CZ 4.4Å; T29-F64 WeakPolarHBondContact O-CE1 3.46Å; T29-Q86 PolarHBondContact OG1-NE2 3.37Å; T29-K89 WeakPolarHBondContact O-CD 3.43Å; T29-K89 PolarHBondContact O-NZ 3.15Å
30E95Very high94.7Very high52 Ų5234.5 Ų34.524%0.24319%0.186CC..Hα-helixtrans-87.7-19.5170.5-78.3-174.2152.900114.7Q26 S27 I28 P32 R83 T85 Q86Q26-E30 PolarHBondContact O-N 3.36Å; Q26-E30 VanDerWaalsContact O-N 3.1Å; S27-E30 PolarHBondContact O-N 2.93Å; I28-E30 PolarHBondContact O-N 3.04Å; E30-P32 VanDerWaalsContact O-CD 3.26Å; E30-P32 WeakPolarHBondContact O-CD 3.3Å; E30-P32 VanDerWaalsContact O-N 3.14Å; E30-R83 WeakPolarHBondContact OE1-CD 3.49Å; E30-R83 IonicContact OE1-CZ 3.34Å; E30-R83 IonicContact OE1-NE 3.25Å; E30-R83 PolarHBondContact OE1-NE 2.78Å; E30-R83 VanDerWaalsContact OE1-NE 3.15Å; E30-R83 IonicContact OE1-NH1 3.26Å; E30-R83 PolarHBondContact OE1-NH1 2.98Å; E30-R83 IonicContact OE1-NH2 2.72Å; E30-R83 PolarHBondContact OE1-NH2 2.83Å; E30-R83 VanDerWaalsContact OE1-NH2 3.15Å; E30-R83 IonicContact OE2-CZ 2.65Å; E30-R83 IonicContact OE2-NH1 3.13Å; E30-R83 PolarHBondContact OE2-NH1 3.44Å; E30-R83 IonicContact OE2-NH2 2.67Å; E30-R83 PolarHBondContact OE2-NH2 2.81Å; E30-T85 WeakPolarHBondContact CG-OG1 3.37Å; E30-T85 PolarHBondContact OE1-OG1 3.25Å; E30-Q86 HydrophobicContact CG-CG 3.52Å
31C94.4Very high94.8Very high13 Ų1329.2 Ų29.29%0.08816%0.163CC..  trans-58.6119.3-167.1-172.90000112.2F9 S27 I28 G33 L34 K89F9-C31 HydrophobicContact CE2-CB 3.75Å; F9-C31 HydrophobicContact CZ-CB 4.26Å; S27-C31 PolarHBondContact O-N 2.89Å; I28-C31 WeakPolarHBondContact O-CB 3.37Å; I28-C31 PolarHBondContact O-N 3.43Å; I28-C31 VanDerWaalsContact O-N 3.12Å; C31-G33 PolarHBondContact O-N 3.45Å; C31-L34 HydrophobicContact CB-CB 4.12Å; C31-L34 HydrophobicContact CB-CD2 4.04Å; C31-L34 PolarHBondContact O-N 2.89Å; C31-K89 VanDerWaalsContact O-CE 3.27Å; C31-K89 WeakPolarHBondContact O-CE 3.43Å; C31-K89 PolarHBondContact O-NZ 3.02Å
32P91.9Very high94.7Very high88 Ų8833.6 Ų33.657%0.57119%0.186SC*.THydrogen-bonded Turntrans-64.6136.7179.8-22.933.7000112K5 E30 L34K5-P32 PolarHBondContact NZ-O 3.34Å; E30-P32 VanDerWaalsContact O-CD 3.26Å; E30-P32 WeakPolarHBondContact O-CD 3.3Å; E30-P32 VanDerWaalsContact O-N 3.14Å; P32-L34 VanDerWaalsContact C-N 3.29Å; P32-L34 PolarHBondContact O-N 3.3Å
33G91.6Very high94.8Very high18 Ų1834.3 Ų34.319%0.18619%0.188CC..THydrogen-bonded Turntrans79.13178.800000115.5C31C31-G33 PolarHBondContact O-N 3.45Å
34L94.4Very high94.7Very high4 Ų432.7 Ų32.72%0.02119%0.189CC..  trans-98.5106.5173.9177.666000109.7L6 F9 I28 C31 P32 F37 F40 K89L6-L34 HydrophobicContact CB-CD1 4.43Å; L6-L34 HydrophobicContact CD1-CD1 3.94Å; F9-L34 HydrophobicContact CD2-CD2 4.48Å; I28-L34 HydrophobicContact CG2-CD2 3.97Å; C31-L34 HydrophobicContact CB-CB 4.12Å; C31-L34 HydrophobicContact CB-CD2 4.04Å; C31-L34 PolarHBondContact O-N 2.89Å; P32-L34 VanDerWaalsContact C-N 3.29Å; P32-L34 PolarHBondContact O-N 3.3Å; L34-F37 HydrophobicContact CD2-CE1 4.13Å; L34-F37 HydrophobicContact CG-CE1 4.18Å; L34-F37 HydrophobicContact CG-CZ 4.46Å; L34-F37 VanDerWaalsContact O-CZ 3.25Å; L34-F37 WeakPolarHBondContact O-CZ 3.45Å; L34-F40 HydrophobicContact CD1-CE2 4.28Å; L34-F40 HydrophobicContact CD2-CE2 3.82Å; L34-F40 HydrophobicContact CD2-CZ 4.17Å; L34-F40 HydrophobicContact CG-CE2 4.47Å; L34-K89 WeakPolarHBondContact O-CE 3.41Å; L34-K89 PolarHBondContact O-NZ 2.98Å
35F94Very high94.6Very high11 Ų1134.7 Ų34.75%0.04820%0.198CC..  trans-116.6-1.4-175.2-60.5-77.5000114.4Q92 L93 I96 L129 L132 A134 I152F35-Q92 HydrophobicContact CE1-CB 4.44Å; F35-L93 HydrophobicContact CB-CD2 4.03Å; F35-L93 HydrophobicContact CD1-CD2 3.79Å; F35-L93 HydrophobicContact CD1-CG 4.4Å; F35-L93 HydrophobicContact CG-CD2 4.42Å; F35-I96 HydrophobicContact CD1-CD1 3.57Å; F35-I96 HydrophobicContact CE1-CD1 3.81Å; F35-I96 HydrophobicContact CG-CD1 4.03Å; F35-I96 HydrophobicContact CZ-CD1 4.42Å; F35-L129 HydrophobicContact CE1-CD2 3.9Å; F35-L129 HydrophobicContact CZ-CD2 3.83Å; F35-L132 HydrophobicContact CE2-CB 4.32Å; F35-L132 HydrophobicContact CE2-CD1 4.2Å; F35-L132 HydrophobicContact CZ-CB 4.44Å; F35-L132 HydrophobicContact CZ-CD1 3.71Å; F35-A134 HydrophobicContact CD2-CB 4.3Å; F35-A134 HydrophobicContact CE2-CB 3.69Å; F35-A134 HydrophobicContact CZ-CB 3.89Å; F35-I152 HydrophobicContact CB-CD1 3.52Å; F35-I152 HydrophobicContact CD1-CD1 4.47Å; F35-I152 HydrophobicContact CD2-CD1 3.23Å; F35-I152 HydrophobicContact CE2-CD1 3.99Å; F35-I152 HydrophobicContact CG-CD1 3.51Å
36V93.8Very high94.6Very high58 Ų5834.7 Ų34.735%0.35220%0.198SC..  trans-116.5126.2-179.1-178.80000106.9D155V36-D155 WeakPolarHBondContact CG1-OD1 3.08Å
37F95.7Very high94.5Very high0 Ų037 Ų370%021%0.207CC..  trans-129.1-2.8-172.8-58.4-88.9000114I28 L34 E39 F40 L41 M61 F64 C65 K89 L93 D155I28-F37 HydrophobicContact CG2-CD1 4.05Å; I28-F37 HydrophobicContact CG2-CE1 4.1Å; L34-F37 HydrophobicContact CD2-CE1 4.13Å; L34-F37 HydrophobicContact CG-CE1 4.18Å; L34-F37 HydrophobicContact CG-CZ 4.46Å; L34-F37 VanDerWaalsContact O-CZ 3.25Å; L34-F37 WeakPolarHBondContact O-CZ 3.45Å; F37-E39 VanDerWaalsContact C-N 3.27Å; F37-E39 PolarHBondContact O-N 3.02Å; F37-F40 HydrophobicContact CB-CD2 4.33Å; F37-F40 HydrophobicContact CD1-CD2 4.08Å; F37-F40 HydrophobicContact CD1-CE2 4.42Å; F37-F40 WeakPolarHBondContact O-CB 3.41Å; F37-F40 PolarHBondContact O-N 3.26Å; F37-L41 PolarHBondContact O-N 2.96Å; F37-M61 HydrophobicContact CB-SD 4.07Å; F37-M61 HydrophobicContact CD1-SD 4Å; F37-M61 HydrophobicContact CG-SD 4.41Å; F37-F64 HydrophobicContact CD1-CB 4.43Å; F37-F64 HydrophobicContact CD2-CB 3.97Å; F37-F64 HydrophobicContact CE1-CB 4.48Å; F37-F64 HydrophobicContact CE1-CD1 4.29Å; F37-F64 HydrophobicContact CE2-CB 4.03Å; F37-F64 HydrophobicContact CE2-CD1 4.1Å; F37-F64 HydrophobicContact CG-CB 4.17Å; F37-F64 HydrophobicContact CZ-CB 4.27Å; F37-F64 AromaticContact CZ-CD1 3.77Å; F37-F64 HydrophobicContact CZ-CD1 3.77Å; F37-C65 HydrophobicContact CB-CB 4.26Å; F37-K89 HydrophobicContact CZ-CD 4.49Å; F37-L93 HydrophobicContact CE2-CD1 3.87Å; F37-L93 HydrophobicContact CE2-CD2 4.24Å; F37-D155 WeakPolarHBondContact CA-OD2 3.46Å; F37-D155 PolarHBondContact N-OD1 2.81Å; F37-D155 PolarHBondContact N-OD2 3.04Å
38G94.4Very high94.4Very high7 Ų738.6 Ų38.67%0.07222%0.218CC..Hα-helixtrans-55.5-42.8-177.500000112.1F40 L41 D42 D155G38-F40 VanDerWaalsContact C-N 3.29Å; G38-F40 PolarHBondContact O-N 3.3Å; G38-L41 PolarHBondContact O-N 3.18Å; G38-L41 VanDerWaalsContact O-N 3.15Å; G38-D42 WeakPolarHBondContact O-CB 3.46Å; G38-D42 PolarHBondContact O-N 2.98Å; G38-D155 VanDerWaalsContact CA-OD1 3.29Å; G38-D155 WeakPolarHBondContact CA-OD1 3.49Å; G38-D155 PolarHBondContact N-OD1 3.17Å; G38-D155 PolarHBondContact N-OD2 3.41Å
39E93.5Very high94.4Very high102 Ų10239 Ų3948%0.47722%0.22SC..Hα-helixtrans-61.1-35.2176.9-65-176.4-150.300113.1L10 F37 H43L10-E39 HydrophobicContact CD1-CB 4.39Å; L10-E39 VanDerWaalsContact CD1-OE2 3.25Å; L10-E39 WeakPolarHBondContact CD1-OE2 3.24Å; L10-E39 HydrophobicContact CD2-CB 4.41Å; F37-E39 VanDerWaalsContact C-N 3.27Å; F37-E39 PolarHBondContact O-N 3.02Å; E39-H43 PolarHBondContact O-N 2.91Å
40F96Very high94.3Very high0 Ų043 Ų430%024%0.239CC..Hα-helixtrans-72.4-44.4174.5-58.7-66.1000111.1L6 F9 L10 L13 I28 L34 F37 G38 D42 H43 I46 M61L6-F40 HydrophobicContact CD1-CD2 4.42Å; L6-F40 HydrophobicContact CD1-CE1 4.46Å; L6-F40 HydrophobicContact CD1-CE2 3.51Å; L6-F40 HydrophobicContact CD1-CZ 3.56Å; L6-F40 HydrophobicContact CG-CZ 4.49Å; F9-F40 HydrophobicContact CB-CE1 3.55Å; F9-F40 HydrophobicContact CB-CZ 3.75Å; L10-F40 HydrophobicContact CD2-CD1 3.61Å; L10-F40 HydrophobicContact CD2-CE1 3.72Å; L10-F40 HydrophobicContact CG-CD1 4.26Å; L10-F40 HydrophobicContact CG-CE1 3.83Å; L13-F40 HydrophobicContact CD2-CD1 4.21Å; I28-F40 HydrophobicContact CD1-CD1 3.88Å; I28-F40 HydrophobicContact CD1-CE1 3.95Å; I28-F40 HydrophobicContact CD1-CG 4.4Å; I28-F40 HydrophobicContact CG1-CE1 4.35Å; I28-F40 HydrophobicContact CG2-CD1 4.44Å; I28-F40 HydrophobicContact CG2-CD2 3.73Å; I28-F40 HydrophobicContact CG2-CE1 4.34Å; I28-F40 HydrophobicContact CG2-CE2 3.64Å; I28-F40 HydrophobicContact CG2-CG 4.15Å; I28-F40 HydrophobicContact CG2-CZ 3.94Å; L34-F40 HydrophobicContact CD1-CE2 4.28Å; L34-F40 HydrophobicContact CD2-CE2 3.82Å; L34-F40 HydrophobicContact CD2-CZ 4.17Å; L34-F40 HydrophobicContact CG-CE2 4.47Å; F37-F40 HydrophobicContact CB-CD2 4.33Å; F37-F40 HydrophobicContact CD1-CD2 4.08Å; F37-F40 HydrophobicContact CD1-CE2 4.42Å; F37-F40 WeakPolarHBondContact O-CB 3.41Å; F37-F40 PolarHBondContact O-N 3.26Å; G38-F40 VanDerWaalsContact C-N 3.29Å; G38-F40 PolarHBondContact O-N 3.3Å; F40-D42 PolarHBondContact O-N 3.35Å; F40-H43 VanDerWaalsContact O-CB 3.27Å; F40-H43 WeakPolarHBondContact O-CB 3.39Å; F40-H43 PolarHBondContact O-N 3.01Å; F40-H43 VanDerWaalsContact O-N 3.13Å; F40-I46 VanDerWaalsContact O-CB 3.25Å; F40-I46 WeakPolarHBondContact O-CB 3.36Å; F40-I46 WeakPolarHBondContact O-CG1 3.43Å; F40-M61 HydrophobicContact CB-CE 3.93Å; F40-M61 HydrophobicContact CB-CG 4.34Å; F40-M61 HydrophobicContact CB-SD 3.85Å; F40-M61 HydrophobicContact CG-CE 4.48Å
41L95Very high94.1Very high8 Ų847.8 Ų47.84%0.04227%0.266CS..Hα-helixtrans-61.8-34.1178.3-17067.2000111.5F37 G38 H43 I46 K47 Y58 M61 N62 C65 Y66F37-L41 PolarHBondContact O-N 2.96Å; G38-L41 PolarHBondContact O-N 3.18Å; G38-L41 VanDerWaalsContact O-N 3.15Å; L41-H43 VanDerWaalsContact C-N 3.33Å; L41-I46 HydrophobicContact CD1-CG2 4.41Å; L41-K47 WeakPolarHBondContact O-CG 3.44Å; L41-Y58 HydrophobicContact CD1-CD2 4.16Å; L41-Y58 HydrophobicContact CD1-CE2 3.64Å; L41-M61 HydrophobicContact CB-CG 4.19Å; L41-M61 HydrophobicContact CD1-CB 4.11Å; L41-M61 HydrophobicContact CD1-CG 4.05Å; L41-N62 HydrophobicContact CD1-CB 4.14Å; L41-C65 HydrophobicContact CD2-CB 4.1Å; L41-Y66 HydrophobicContact CD2-CD2 4.18Å; L41-Y66 HydrophobicContact CD2-CE2 3.44Å; L41-Y66 VanDerWaalsContact CD2-CE2 3.44Å
42D93.8Very high93.9Very high94 Ų9448.8 Ų48.850%0.50328%0.279SS..Hα-helixtrans-78.3-16177.7-82.3-35.2000114.7G38 F40 K47G38-D42 WeakPolarHBondContact O-CB 3.46Å; G38-D42 PolarHBondContact O-N 2.98Å; F40-D42 PolarHBondContact O-N 3.35Å; D42-K47 PolarHBondContact O-NZ 3.18Å; D42-K47 WeakPolarHBondContact OD1-CE 3.27Å; D42-K47 IonicContact OD1-NZ 2.9Å; D42-K47 PolarHBondContact OD1-NZ 3.46Å
43H95.4Very high93.9Very high31 Ų3152.7 Ų52.714%0.14429%0.289CS..SBendtrans-64.1132.7-178.6-169.6-84.8000111.5L13 E39 F40 L41 K45 I46 K47L13-H43 HydrophobicContact CD2-CB 3.54Å; L13-H43 WeakPolarHBondContact CD2-ND1 3.38Å; E39-H43 PolarHBondContact O-N 2.91Å; F40-H43 VanDerWaalsContact O-CB 3.27Å; F40-H43 WeakPolarHBondContact O-CB 3.39Å; F40-H43 PolarHBondContact O-N 3.01Å; F40-H43 VanDerWaalsContact O-N 3.13Å; L41-H43 VanDerWaalsContact C-N 3.33Å; H43-K45 VanDerWaalsContact C-N 3.26Å; H43-K45 PolarHBondContact ND1-N 3.11Å; H43-K45 PolarHBondContact O-N 2.95Å; H43-K45 VanDerWaalsContact O-N 3.08Å; H43-I46 HydrophobicContact CB-CG1 4.45Å; H43-I46 PolarHBondContact O-N 3.22Å; H43-K47 PolarHBondContact O-N 2.88Å; H43-K47 VanDerWaalsContact O-N 3.08Å
44P94Very high94Very high99 Ų9954.6 Ų54.664%0.64329%0.291SS*.Hα-helixtrans-53.8-37.1-174.1-29.334.9000114.9K47 S48P44-K47 PolarHBondContact O-N 3.37Å; P44-S48 PolarHBondContact O-N 3.35Å
45K93.5Very high94Very high55 Ų5556.2 Ų56.224%0.23930%0.303CS..Hα-helixtrans-68.4-31.9177.8-67.1-171.6-173.3-178.40114.2L13 S14 T16 H43 S48L13-K45 WeakPolarHBondContact O-CD 3.31Å; L13-K45 VanDerWaalsContact O-CE 3.3Å; L13-K45 WeakPolarHBondContact O-CE 3.48Å; L13-K45 PolarHBondContact O-NZ 3.31Å; S14-K45 WeakPolarHBondContact O-CE 3.46Å; S14-K45 PolarHBondContact O-NZ 2.87Å; T16-K45 PolarHBondContact O-NZ 2.91Å; H43-K45 VanDerWaalsContact C-N 3.26Å; H43-K45 PolarHBondContact ND1-N 3.11Å; H43-K45 PolarHBondContact O-N 2.95Å; H43-K45 VanDerWaalsContact O-N 3.08Å; K45-S48 PolarHBondContact O-OG 2.88Å
46I95.6Very high94.1Very high0 Ų059.5 Ų59.50%032%0.318CS..Hα-helixtrans-75.2-42.4175.4-64-68.8000108.7L13 L21 I25 F40 L41 H43 S48 I49 Y58 M61L13-I46 HydrophobicContact CD1-CD1 4.02Å; L13-I46 HydrophobicContact CD1-CG1 4.13Å; L13-I46 HydrophobicContact CD2-CG1 3.93Å; L21-I46 HydrophobicContact CD1-CD1 3.77Å; L21-I46 HydrophobicContact CD2-CD1 4.38Å; L21-I46 HydrophobicContact CG-CD1 4.32Å; I25-I46 HydrophobicContact CD1-CD1 3.47Å; I25-I46 VanDerWaalsContact CD1-CD1 3.47Å; I25-I46 HydrophobicContact CG1-CD1 3.57Å; F40-I46 VanDerWaalsContact O-CB 3.25Å; F40-I46 WeakPolarHBondContact O-CB 3.36Å; F40-I46 WeakPolarHBondContact O-CG1 3.43Å; L41-I46 HydrophobicContact CD1-CG2 4.41Å; H43-I46 HydrophobicContact CB-CG1 4.45Å; H43-I46 PolarHBondContact O-N 3.22Å; I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 3.25Å; I46-I49 WeakPolarHBondContact O-CG1 3.36Å; I46-I49 PolarHBondContact O-N 3.04Å; I46-Y58 HydrophobicContact CG2-CD2 3.92Å; I46-Y58 HydrophobicContact CG2-CE2 4.43Å; I46-Y58 WeakPolarHBondContact O-CD2 3.43Å; I46-M61 HydrophobicContact CG2-CB 4.4Å; I46-M61 HydrophobicContact CG2-CG 4.35Å
47K95.3Very high94.3Very high91 Ų9158.8 Ų58.840%0.39631%0.31SS..Hα-helixtrans-59.5-36.1173.3-70.1-177.7166.5155.40113L41 D42 H43 P44 I49 E50L41-K47 WeakPolarHBondContact O-CG 3.44Å; D42-K47 PolarHBondContact O-NZ 3.18Å; D42-K47 WeakPolarHBondContact OD1-CE 3.27Å; D42-K47 IonicContact OD1-NZ 2.9Å; D42-K47 PolarHBondContact OD1-NZ 3.46Å; H43-K47 PolarHBondContact O-N 2.88Å; H43-K47 VanDerWaalsContact O-N 3.08Å; P44-K47 PolarHBondContact O-N 3.37Å; K47-I49 PolarHBondContact O-N 3.36Å; K47-I49 VanDerWaalsContact O-N 3.15Å; K47-E50 WeakPolarHBondContact O-CB 3.49Å; K47-E50 PolarHBondContact O-N 3.23Å
48S93.7Very high94.3Very high79 Ų7960.1 Ų60.155%0.55232%0.315SS*.THydrogen-bonded Turntrans-65.6-18.2-178.965.50000114.7P44 K45 I46P44-S48 PolarHBondContact O-N 3.35Å; K45-S48 PolarHBondContact O-OG 2.88Å; I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 3.25Å
49I94.9Very high94.4Very high8 Ų862.2 Ų62.24%0.04132%0.324CS..THydrogen-bonded Turntrans-96.9-0.2179.858.9158.9000114L18 L21 I25 I46 K47 N51 G52 Y54 S55L18-I49 HydrophobicContact CD2-CG2 4.04Å; L21-I49 HydrophobicContact CD2-CD1 3.78Å; L21-I49 HydrophobicContact CD2-CG1 4.15Å; L21-I49 HydrophobicContact CD2-CG2 3.77Å; L21-I49 HydrophobicContact CG-CD1 4.39Å; I25-I49 HydrophobicContact CD1-CD1 3.75Å; I46-I49 WeakPolarHBondContact O-CG1 3.36Å; I46-I49 PolarHBondContact O-N 3.04Å; K47-I49 PolarHBondContact O-N 3.36Å; K47-I49 VanDerWaalsContact O-N 3.15Å; I49-N51 VanDerWaalsContact C-N 3.3Å; I49-N51 PolarHBondContact O-N 3.02Å; I49-G52 PolarHBondContact O-N 3.44Å; I49-Y54 HydrophobicContact CG2-CD2 4.22Å; I49-S55 VanDerWaalsContact O-CA 3.23Å; I49-S55 WeakPolarHBondContact O-CA 3.33Å; I49-S55 PolarHBondContact O-N 3.33Å
50E94.2Very high94.6Very high84 Ų8457.3 Ų57.339%0.39330%0.302SS..THydrogen-bonded Turntrans-52.2-44.5-177.1179174.7-163.500113.2K47 S55 Y58K47-E50 WeakPolarHBondContact O-CB 3.49Å; K47-E50 PolarHBondContact O-N 3.23Å; E50-S55 WeakPolarHBondContact O-CB 3.38Å; E50-Y58 HydrophobicContact CB-CD1 4.03Å; E50-Y58 HydrophobicContact CB-CD2 4.02Å; E50-Y58 HydrophobicContact CB-CE1 4.17Å; E50-Y58 HydrophobicContact CB-CE2 4.14Å; E50-Y58 HydrophobicContact CB-CG 3.96Å; E50-Y58 HydrophobicContact CG-CD1 3.78Å; E50-Y58 HydrophobicContact CG-CE1 3.62Å; E50-Y58 HydrophobicContact CG-CE2 4.38Å; E50-Y58 HydrophobicContact CG-CG 4.24Å
51N92.1Very high94.6Very high154 Ų15457.3 Ų57.382%0.82430%0.302SS*.THydrogen-bonded Turntrans-109.823-176.1-63-63.5000113.3I49I49-N51 VanDerWaalsContact C-N 3.3Å; I49-N51 PolarHBondContact O-N 3.02Å
52G89.8Confident94.7Very high34 Ų3459.1 Ų59.135%0.35131%0.311SS..SBendtrans-112.6-168.7-173.500000115I49 Y54 S55I49-G52 PolarHBondContact O-N 3.44Å; G52-Y54 PolarHBondContact O-N 3.07Å; G52-S55 WeakPolarHBondContact O-CB 3.48Å; G52-S55 PolarHBondContact O-N 3.45Å; G52-S55 PolarHBondContact O-OG 3.3Å
53E91.3Very high94.8Very high169 Ų16954.8 Ų54.879%0.7929%0.288SS*.THydrogen-bonded Turntrans-55.3-34172.5-174.6-177.9161.600112.1
54Y94.1Very high94.9Very high59 Ų5953.3 Ų53.323%0.23128%0.281CS..THydrogen-bonded Turntrans-95.518.5179.1-52.4-51.4000113.9L18 P22 I49 G52 Q56 Y57 Y58L18-Y54 WeakPolarHBondContact O-CE2 3.35Å; P22-Y54 HydrophobicContact CG-CD1 3.61Å; P22-Y54 HydrophobicContact CG-CD2 4.47Å; P22-Y54 HydrophobicContact CG-CE1 3.74Å; P22-Y54 HydrophobicContact CG-CG 4.01Å; I49-Y54 HydrophobicContact CG2-CD2 4.22Å; G52-Y54 PolarHBondContact O-N 3.07Å; Y54-Q56 PolarHBondContact O-N 3.37Å; Y54-Y57 HydrophobicContact CD1-CD2 4.28Å; Y54-Y57 HydrophobicContact CD1-CE2 4.4Å; Y54-Y57 WeakPolarHBondContact O-CA 3.47Å; Y54-Y57 WeakPolarHBondContact O-CB 3.28Å; Y54-Y57 PolarHBondContact O-N 2.92Å; Y54-Y58 PolarHBondContact O-N 3.48Å
55S94.9Very high94.9Very high38 Ų3848.6 Ų48.627%0.26625%0.25SS..Hα-helixtrans-54.3-35.3179.550.70000113.8I49 E50 G52 Y57 Y58 N59I49-S55 VanDerWaalsContact O-CA 3.23Å; I49-S55 WeakPolarHBondContact O-CA 3.33Å; I49-S55 PolarHBondContact O-N 3.33Å; E50-S55 WeakPolarHBondContact O-CB 3.38Å; G52-S55 WeakPolarHBondContact O-CB 3.48Å; G52-S55 PolarHBondContact O-N 3.45Å; G52-S55 PolarHBondContact O-OG 3.3Å; S55-Y57 PolarHBondContact O-N 3.01Å; S55-Y58 WeakPolarHBondContact O-CB 3.37Å; S55-Y58 PolarHBondContact O-N 3.31Å; S55-Y58 VanDerWaalsContact O-N 3.14Å; S55-N59 PolarHBondContact O-N 3.43Å
56Q96.2Very high95Very high80 Ų8048.9 Ų48.937%0.37425%0.251SS..Hα-helixtrans-59.9-33.2174.1-68.4-174.3-32.100112.6Y54 N59 L60 F77 P80Y54-Q56 PolarHBondContact O-N 3.37Å; Q56-N59 WeakPolarHBondContact O-CB 3.31Å; Q56-N59 PolarHBondContact O-N 3.36Å; Q56-L60 WeakPolarHBondContact O-CB 3.44Å; Q56-L60 PolarHBondContact O-N 2.9Å; Q56-F77 PolarHBondContact NE2-O 3.14Å; Q56-P80 VanDerWaalsContact O-CD 3.31Å; Q56-P80 WeakPolarHBondContact O-CD 3.22Å
57Y96.7Very high94.9Very high43 Ų4349.1 Ų49.117%0.16925%0.253CS..Hα-helixtrans-76.3-30.4176.9-67.9-83.2000112.7P22 I25 Q26 Y54 S55 L60 M61 P80P22-Y57 HydrophobicContact CB-CD1 4.14Å; P22-Y57 HydrophobicContact CB-CD2 4.07Å; P22-Y57 HydrophobicContact CB-CE1 3.78Å; P22-Y57 HydrophobicContact CB-CE2 3.7Å; P22-Y57 HydrophobicContact CB-CG 4.28Å; P22-Y57 HydrophobicContact CG-CD2 4.11Å; P22-Y57 HydrophobicContact CG-CE2 3.98Å; I25-Y57 HydrophobicContact CB-CD1 4.48Å; I25-Y57 HydrophobicContact CG2-CD1 4.27Å; Q26-Y57 HydrophobicContact CG-CE1 4.13Å; Q26-Y57 PolarHBondContact NE2-OH 3.3Å; Y54-Y57 HydrophobicContact CD1-CD2 4.28Å; Y54-Y57 HydrophobicContact CD1-CE2 4.4Å; Y54-Y57 WeakPolarHBondContact O-CA 3.47Å; Y54-Y57 WeakPolarHBondContact O-CB 3.28Å; Y54-Y57 PolarHBondContact O-N 2.92Å; S55-Y57 PolarHBondContact O-N 3.01Å; Y57-L60 HydrophobicContact CD1-CD2 4.42Å; Y57-L60 WeakPolarHBondContact O-CB 3.31Å; Y57-L60 PolarHBondContact O-N 3.28Å; Y57-M61 PolarHBondContact O-N 2.94Å; Y57-P80 HydrophobicContact CD1-CG 3.98Å; Y57-P80 HydrophobicContact CE1-CB 3.98Å; Y57-P80 HydrophobicContact CE1-CG 3.82Å; Y57-P80 HydrophobicContact CE2-CB 4.44Å
58Y96.7Very high94.9Very high28 Ų2846.2 Ų46.211%0.1124%0.243CC..Hα-helixtrans-62.6-48166.5176.4-93.7000110.6L41 I46 E50 Y54 S55 L60 M61 N62L41-Y58 HydrophobicContact CD1-CD2 4.16Å; L41-Y58 HydrophobicContact CD1-CE2 3.64Å; I46-Y58 HydrophobicContact CG2-CD2 3.92Å; I46-Y58 HydrophobicContact CG2-CE2 4.43Å; I46-Y58 WeakPolarHBondContact O-CD2 3.43Å; E50-Y58 HydrophobicContact CB-CD1 4.03Å; E50-Y58 HydrophobicContact CB-CD2 4.02Å; E50-Y58 HydrophobicContact CB-CE1 4.17Å; E50-Y58 HydrophobicContact CB-CE2 4.14Å; E50-Y58 HydrophobicContact CB-CG 3.96Å; E50-Y58 HydrophobicContact CG-CD1 3.78Å; E50-Y58 HydrophobicContact CG-CE1 3.62Å; E50-Y58 HydrophobicContact CG-CE2 4.38Å; E50-Y58 HydrophobicContact CG-CG 4.24Å; Y54-Y58 PolarHBondContact O-N 3.48Å; S55-Y58 WeakPolarHBondContact O-CB 3.37Å; S55-Y58 PolarHBondContact O-N 3.31Å; S55-Y58 VanDerWaalsContact O-N 3.14Å; Y58-L60 VanDerWaalsContact C-N 3.26Å; Y58-L60 PolarHBondContact O-N 3.48Å; Y58-M61 WeakPolarHBondContact O-CB 3.34Å; Y58-M61 PolarHBondContact O-N 2.97Å; Y58-N62 WeakPolarHBondContact O-CB 3.37Å; Y58-N62 PolarHBondContact O-N 3.42Å
59N96.8Very high95Very high50 Ų5042.9 Ų42.927%0.26722%0.218SC..Hα-helixtrans-58.9-38.9176.1-67.5-22000111.8S55 Q56 N62 L63 A78 Y79S55-N59 PolarHBondContact O-N 3.43Å; Q56-N59 WeakPolarHBondContact O-CB 3.31Å; Q56-N59 PolarHBondContact O-N 3.36Å; N59-N62 PolarHBondContact O-N 3.25Å; N59-L63 VanDerWaalsContact O-CB 3.31Å; N59-L63 WeakPolarHBondContact O-CB 3.35Å; N59-L63 PolarHBondContact O-N 2.95Å; N59-A78 WeakPolarHBondContact CB-O 3.39Å; N59-A78 PolarHBondContact ND2-O 3.47Å; N59-Y79 HydrophobicContact CB-CD1 3.9Å; N59-Y79 HydrophobicContact CB-CE1 3.89Å; N59-Y79 WeakPolarHBondContact O-CE1 3.09Å
60L97Very high95Very high0 Ų045.8 Ų45.80%023%0.232CC..Hα-helixtrans-59.9-46.1173.9179.663.7000111.4I25 T29 Q56 Y57 Y58 N62 L63 F64 P80 L82I25-L60 HydrophobicContact CG2-CD2 4Å; T29-L60 HydrophobicContact CG2-CG 4.37Å; Q56-L60 WeakPolarHBondContact O-CB 3.44Å; Q56-L60 PolarHBondContact O-N 2.9Å; Y57-L60 HydrophobicContact CD1-CD2 4.42Å; Y57-L60 WeakPolarHBondContact O-CB 3.31Å; Y57-L60 PolarHBondContact O-N 3.28Å; Y58-L60 VanDerWaalsContact C-N 3.26Å; Y58-L60 PolarHBondContact O-N 3.48Å; L60-N62 VanDerWaalsContact C-N 3.34Å; L60-L63 HydrophobicContact CD1-CD2 4.48Å; L60-L63 WeakPolarHBondContact O-CB 3.48Å; L60-L63 PolarHBondContact O-N 3.38Å; L60-F64 HydrophobicContact CD1-CD2 3.86Å; L60-F64 HydrophobicContact CD1-CE2 3.52Å; L60-F64 HydrophobicContact CG-CD2 4.41Å; L60-F64 HydrophobicContact CG-CE2 4.39Å; L60-F64 VanDerWaalsContact O-CD2 3.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.3Å; L60-F64 PolarHBondContact O-N 2.91Å; L60-F64 VanDerWaalsContact O-N 3.1Å; L60-P80 HydrophobicContact CB-CG 4.32Å; L60-P80 HydrophobicContact CD2-CG 3.85Å; L60-L82 HydrophobicContact CD1-CD1 3.71Å; L60-L82 HydrophobicContact CD1-CD2 4.1Å; L60-L82 HydrophobicContact CD1-CG 3.92Å
61M96.5Very high95Very high0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-63-44176.8-166.560.972.800111.2I25 I28 F37 F40 L41 I46 Y57 Y58 L63 F64 C65I25-M61 HydrophobicContact CB-CE 4.35Å; I25-M61 HydrophobicContact CG1-CE 4.06Å; I25-M61 HydrophobicContact CG2-CE 3.94Å; I28-M61 HydrophobicContact CB-CE 4.49Å; I28-M61 HydrophobicContact CD1-CE 4.43Å; I28-M61 HydrophobicContact CG2-CE 4.07Å; F37-M61 HydrophobicContact CB-SD 4.07Å; F37-M61 HydrophobicContact CD1-SD 4Å; F37-M61 HydrophobicContact CG-SD 4.41Å; F40-M61 HydrophobicContact CB-CE 3.93Å; F40-M61 HydrophobicContact CB-CG 4.34Å; F40-M61 HydrophobicContact CB-SD 3.85Å; F40-M61 HydrophobicContact CG-CE 4.48Å; L41-M61 HydrophobicContact CB-CG 4.19Å; L41-M61 HydrophobicContact CD1-CB 4.11Å; L41-M61 HydrophobicContact CD1-CG 4.05Å; I46-M61 HydrophobicContact CG2-CB 4.4Å; I46-M61 HydrophobicContact CG2-CG 4.35Å; Y57-M61 PolarHBondContact O-N 2.94Å; Y58-M61 WeakPolarHBondContact O-CB 3.34Å; Y58-M61 PolarHBondContact O-N 2.97Å; M61-L63 VanDerWaalsContact C-N 3.31Å; M61-L63 PolarHBondContact O-N 2.85Å; M61-F64 PolarHBondContact O-N 3.44Å; M61-C65 WeakPolarHBondContact O-CB 3.3Å; M61-C65 PolarHBondContact O-N 3.44Å
62N96.1Very high95.1Very high45 Ų4538.3 Ų38.324%0.24119%0.194CC..Hα-helixtrans-61.1-38.7177.1-170.138.2000112.4L41 Y58 N59 L60 C65 Y66L41-N62 HydrophobicContact CD1-CB 4.14Å; Y58-N62 WeakPolarHBondContact O-CB 3.37Å; Y58-N62 PolarHBondContact O-N 3.42Å; N59-N62 PolarHBondContact O-N 3.25Å; L60-N62 VanDerWaalsContact C-N 3.34Å; N62-C65 PolarHBondContact O-N 3.28Å; N62-Y66 PolarHBondContact O-N 3.49Å; N62-Y66 VanDerWaalsContact OD1-CD2 3.31Å; N62-Y66 WeakPolarHBondContact OD1-CD2 3.32Å
63L96.6Very high95.1Very high3 Ų339 Ų392%0.01619%0.193CC..Hα-helixtrans-63.4-41.8174.8174.171.7000112N59 L60 M61 C65 G67 L71 L72 Y79 L90N59-L63 VanDerWaalsContact O-CB 3.31Å; N59-L63 WeakPolarHBondContact O-CB 3.35Å; N59-L63 PolarHBondContact O-N 2.95Å; L60-L63 HydrophobicContact CD1-CD2 4.48Å; L60-L63 WeakPolarHBondContact O-CB 3.48Å; L60-L63 PolarHBondContact O-N 3.38Å; M61-L63 VanDerWaalsContact C-N 3.31Å; M61-L63 PolarHBondContact O-N 2.85Å; L63-C65 VanDerWaalsContact C-N 3.34Å; L63-G67 CarbonylContact O-C 3.44Å; L63-G67 WeakPolarHBondContact O-CA 3.29Å; L63-G67 PolarHBondContact O-N 3.31Å; L63-L71 HydrophobicContact CD1-CB 4.08Å; L63-L71 HydrophobicContact CD1-CD2 3.91Å; L63-L71 HydrophobicContact CD1-CG 4.12Å; L63-L72 HydrophobicContact CD1-CB 4.41Å; L63-L72 HydrophobicContact CD2-CB 4.04Å; L63-L72 HydrophobicContact CD2-CD1 3.47Å; L63-L72 VanDerWaalsContact CD2-CD1 3.47Å; L63-L72 HydrophobicContact CD2-CG 4.26Å; L63-Y79 HydrophobicContact CB-CD1 4.31Å; L63-Y79 HydrophobicContact CB-CE1 3.68Å; L63-Y79 HydrophobicContact CD1-CE1 4.37Å; L63-Y79 HydrophobicContact CD2-CD1 3.93Å; L63-Y79 HydrophobicContact CD2-CD2 4.49Å; L63-Y79 HydrophobicContact CD2-CE1 3.81Å; L63-Y79 HydrophobicContact CD2-CE2 4.35Å; L63-Y79 HydrophobicContact CD2-CG 4.27Å; L63-Y79 HydrophobicContact CG-CE1 4.17Å; L63-L90 HydrophobicContact CD1-CD1 4.44Å; L63-L90 HydrophobicContact CD1-CD2 4.39Å; L63-L90 HydrophobicContact CD2-CD2 3.84Å; L63-L90 HydrophobicContact CG-CD1 4.08Å; L63-L90 HydrophobicContact CG-CD2 4.17Å
64F96.7Very high95.1Very high0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-72-32.6177.9-85.6-113.7000112.1T29 F37 L60 M61 L82 Q86 K89 L90 L93 R154T29-F64 HydrophobicContact CG2-CB 4.39Å; T29-F64 HydrophobicContact CG2-CD1 3.9Å; T29-F64 HydrophobicContact CG2-CD2 4.06Å; T29-F64 HydrophobicContact CG2-CE1 4.18Å; T29-F64 HydrophobicContact CG2-CE2 4.34Å; T29-F64 HydrophobicContact CG2-CG 3.83Å; T29-F64 HydrophobicContact CG2-CZ 4.4Å; T29-F64 WeakPolarHBondContact O-CE1 3.46Å; F37-F64 HydrophobicContact CD1-CB 4.43Å; F37-F64 HydrophobicContact CD2-CB 3.97Å; F37-F64 HydrophobicContact CE1-CB 4.48Å; F37-F64 HydrophobicContact CE1-CD1 4.29Å; F37-F64 HydrophobicContact CE2-CB 4.03Å; F37-F64 HydrophobicContact CE2-CD1 4.1Å; F37-F64 HydrophobicContact CG-CB 4.17Å; F37-F64 HydrophobicContact CZ-CB 4.27Å; F37-F64 AromaticContact CZ-CD1 3.77Å; F37-F64 HydrophobicContact CZ-CD1 3.77Å; L60-F64 HydrophobicContact CD1-CD2 3.86Å; L60-F64 HydrophobicContact CD1-CE2 3.52Å; L60-F64 HydrophobicContact CG-CD2 4.41Å; L60-F64 HydrophobicContact CG-CE2 4.39Å; L60-F64 VanDerWaalsContact O-CD2 3.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.3Å; L60-F64 PolarHBondContact O-N 2.91Å; L60-F64 VanDerWaalsContact O-N 3.1Å; M61-F64 PolarHBondContact O-N 3.44Å; F64-L82 HydrophobicContact CE2-CD2 4.17Å; F64-Q86 HydrophobicContact CZ-CB 3.96Å; F64-Q86 WeakPolarHBondContact CZ-O 3.48Å; F64-K89 HydrophobicContact CE1-CB 4.26Å; F64-K89 HydrophobicContact CE1-CD 4.08Å; F64-K89 HydrophobicContact CE1-CG 4.39Å; F64-L90 HydrophobicContact CE2-CB 4.48Å; F64-L90 HydrophobicContact CE2-CD1 4.5Å; F64-L90 HydrophobicContact CZ-CB 4.19Å; F64-L93 HydrophobicContact CB-CD1 4.35Å; F64-L93 HydrophobicContact CD1-CD1 3.69Å; F64-L93 HydrophobicContact CE1-CD1 4.3Å; F64-L93 HydrophobicContact CG-CD1 4.24Å; F64-R154 PolarHBondContact O-NH2 3.07Å
65C95Very high95Very high0 Ų037.7 Ų37.70%020%0.2CC..Hα-helixtrans-68.3-56.4176.8-160.60000111.4F37 L41 M61 N62 L63 R154 D155F37-C65 HydrophobicContact CB-CB 4.26Å; L41-C65 HydrophobicContact CD2-CB 4.1Å; M61-C65 WeakPolarHBondContact O-CB 3.3Å; M61-C65 PolarHBondContact O-N 3.44Å; N62-C65 PolarHBondContact O-N 3.28Å; L63-C65 VanDerWaalsContact C-N 3.34Å; C65-R154 PolarHBondContact O-NH2 3.31Å; C65-D155 WeakPolarHBondContact SG-CB 3.44Å; C65-D155 PolarHBondContact SG-OD2 2.91Å
66Y94.8Very high94.8Very high62 Ų6241.2 Ų41.224%0.24321%0.208CC..Hα-helixtrans-125.1-6.6-168.2-52.3-59.6000115.4L41 N62 D155 R157L41-Y66 HydrophobicContact CD2-CD2 4.18Å; L41-Y66 HydrophobicContact CD2-CE2 3.44Å; L41-Y66 VanDerWaalsContact CD2-CE2 3.44Å; N62-Y66 PolarHBondContact O-N 3.49Å; N62-Y66 VanDerWaalsContact OD1-CD2 3.31Å; N62-Y66 WeakPolarHBondContact OD1-CD2 3.32Å; Y66-D155 HydrophobicContact CD1-CB 4.1Å; Y66-D155 HydrophobicContact CE1-CB 3.61Å; Y66-R157 HydrophobicContact CD1-CG 3.55Å; Y66-R157 HydrophobicContact CD2-CG 4.1Å; Y66-R157 VanDerWaalsContact CD2-NE 3.35Å; Y66-R157 HydrophobicContact CE1-CG 3.56Å; Y66-R157 HydrophobicContact CE2-CG 4.1Å; Y66-R157 HydrophobicContact CG-CG 3.82Å; Y66-R157 VanDerWaalsContact CG-NE 3.29Å
67G94.2Very high94.5Very high5 Ų546.5 Ų46.55%0.05223%0.23CC..  trans-95.1-179.9-174.900000114.1L63 R154L63-G67 CarbonylContact O-C 3.44Å; L63-G67 WeakPolarHBondContact O-CA 3.29Å; L63-G67 PolarHBondContact O-N 3.31Å; G67-R154 PolarHBondContact O-NH1 3.48Å; G67-R154 PolarHBondContact O-NH2 2.89Å
68T94.8Very high94.3Very high29 Ų2945.4 Ų45.418%0.17823%0.23CC..  trans-130.9168.117965.70000110.5E70 L71 L72 S94T68-E70 PolarHBondContact O-N 3.23Å; T68-L71 WeakPolarHBondContact O-CB 3.42Å; T68-L71 PolarHBondContact O-N 2.96Å; T68-L71 VanDerWaalsContact O-N 3.15Å; T68-L72 PolarHBondContact O-N 3.38Å; T68-S94 WeakPolarHBondContact CA-OG 3.46Å
69F96Very high94.3Very high9 Ų945 Ų454%0.03923%0.228CC..Hα-helixtrans-60.7-32.4175.3-178.6-94.9000112.9L71 L72 S73 V87 L90 K91 S94 K113 L114 D115F69-L71 VanDerWaalsContact C-N 3.31Å; F69-L71 PolarHBondContact O-N 3.44Å; F69-L72 HydrophobicContact CD2-CD2 4.4Å; F69-L72 HydrophobicContact CE2-CD2 4.33Å; F69-L72 PolarHBondContact O-N 3.49Å; F69-S73 WeakPolarHBondContact CE1-OG 3.46Å; F69-S73 PolarHBondContact O-N 3.35Å; F69-S73 VanDerWaalsContact O-N 3.1Å; F69-S73 PolarHBondContact O-OG 3.47Å; F69-S73 VanDerWaalsContact O-OG 3.07Å; F69-V87 HydrophobicContact CD2-CG1 4.4Å; F69-V87 HydrophobicContact CE2-CG1 3.79Å; F69-L90 HydrophobicContact CB-CD2 4.49Å; F69-L90 HydrophobicContact CB-CG 4.38Å; F69-L90 HydrophobicContact CD2-CD2 4.32Å; F69-K91 HydrophobicContact CB-CG 4.45Å; F69-K91 HydrophobicContact CD2-CG 3.83Å; F69-K91 HydrophobicContact CE2-CG 4.3Å; F69-K91 HydrophobicContact CG-CG 4.07Å; F69-S94 PolarHBondContact N-OG 2.67Å; F69-K113 WeakPolarHBondContact CD1-O 3.46Å; F69-L114 HydrophobicContact CB-CD2 4.43Å; F69-L114 WeakPolarHBondContact CD1-O 3.42Å; F69-L114 VanDerWaalsContact CE1-O 3.26Å; F69-L114 WeakPolarHBondContact CE1-O 3.3Å; F69-D115 HydrophobicContact CD1-CB 4.49Å; F69-D115 HydrophobicContact CE1-CB 3.57Å; F69-D115 HydrophobicContact CZ-CB 4.28Å
70E94.7Very high94.1Very high69 Ų6943.4 Ų43.432%0.32222%0.22SC..Hα-helixtrans-61.1-39.5174.6-61.9-179.3106.100111.9T68 S73 T74 K113T68-E70 PolarHBondContact O-N 3.23Å; E70-S73 PolarHBondContact O-N 2.86Å; E70-S73 VanDerWaalsContact O-N 3.11Å; E70-T74 PolarHBondContact O-N 2.93Å; E70-T74 PolarHBondContact O-OG1 2.94Å; E70-K113 HydrophobicContact CG-CB 4.25Å; E70-K113 HydrophobicContact CG-CG 4.48Å; E70-K113 VanDerWaalsContact CG-O 3.22Å; E70-K113 WeakPolarHBondContact CG-O 3.41Å
71L94Very high94Very high76 Ų7650.9 Ų50.940%0.39826%0.261SS..Hα-helixtrans-65.9-40.8178.6-177.962.7000111.7L63 T68 F69 S73 T74 N75L63-L71 HydrophobicContact CD1-CB 4.08Å; L63-L71 HydrophobicContact CD1-CD2 3.91Å; L63-L71 HydrophobicContact CD1-CG 4.12Å; T68-L71 WeakPolarHBondContact O-CB 3.42Å; T68-L71 PolarHBondContact O-N 2.96Å; T68-L71 VanDerWaalsContact O-N 3.15Å; F69-L71 VanDerWaalsContact C-N 3.31Å; F69-L71 PolarHBondContact O-N 3.44Å; L71-S73 PolarHBondContact O-N 2.89Å; L71-T74 PolarHBondContact O-N 2.77Å; L71-N75 PolarHBondContact O-N 3.49Å; L71-N75 VanDerWaalsContact O-N 3.13Å
72L93.7Very high93.8Very high6 Ų652.5 Ų52.53%0.03127%0.269CS..Hα-helixtrans-59.7-40172.6-174.378.2000110.1L63 T68 F69 R76 Y79 L82 L90L63-L72 HydrophobicContact CD1-CB 4.41Å; L63-L72 HydrophobicContact CD2-CB 4.04Å; L63-L72 HydrophobicContact CD2-CD1 3.47Å; L63-L72 VanDerWaalsContact CD2-CD1 3.47Å; L63-L72 HydrophobicContact CD2-CG 4.26Å; T68-L72 PolarHBondContact O-N 3.38Å; F69-L72 HydrophobicContact CD2-CD2 4.4Å; F69-L72 HydrophobicContact CE2-CD2 4.33Å; F69-L72 PolarHBondContact O-N 3.49Å; L72-R76 WeakPolarHBondContact O-CA 3.39Å; L72-R76 WeakPolarHBondContact O-CD 3.38Å; L72-R76 VanDerWaalsContact O-CG 3.26Å; L72-R76 WeakPolarHBondContact O-CG 3.38Å; L72-R76 PolarHBondContact O-N 3.14Å; L72-R76 PolarHBondContact O-NH1 3.18Å; L72-Y79 HydrophobicContact CD1-CD2 3.52Å; L72-Y79 HydrophobicContact CD1-CE2 4.08Å; L72-Y79 HydrophobicContact CD1-CG 3.82Å; L72-L82 HydrophobicContact CD1-CD1 3.82Å; L72-L82 HydrophobicContact CD1-CD2 3.8Å; L72-L82 HydrophobicContact CD1-CG 4.45Å; L72-L82 HydrophobicContact CD2-CD2 3.72Å; L72-L82 HydrophobicContact CG-CD2 4.43Å; L72-L90 HydrophobicContact CB-CD2 3.77Å; L72-L90 HydrophobicContact CD2-CD2 3.76Å; L72-L90 HydrophobicContact CG-CD2 4.21Å
73S90.1Very high93.8Very high48 Ų4853.9 Ų53.934%0.33627%0.271SS..Hα-helixtrans-73-33.2-175.1-59.10000112.8F69 E70 L71 R76F69-S73 WeakPolarHBondContact CE1-OG 3.46Å; F69-S73 PolarHBondContact O-N 3.35Å; F69-S73 VanDerWaalsContact O-N 3.1Å; F69-S73 PolarHBondContact O-OG 3.47Å; F69-S73 VanDerWaalsContact O-OG 3.07Å; E70-S73 PolarHBondContact O-N 2.86Å; E70-S73 VanDerWaalsContact O-N 3.11Å; L71-S73 PolarHBondContact O-N 2.89Å; S73-R76 VanDerWaalsContact CA-CZ 3.42Å; S73-R76 PolarHBondContact OG-NH1 2.86Å; S73-R76 PolarHBondContact OG-NH2 3.3Å
74T91.6Very high93.7Very high123 Ų12359.1 Ų59.176%0.75531%0.305SS*.Hα-helixtrans-76.4-33.9178.4-52.90000112.2E70 L71E70-T74 PolarHBondContact O-N 2.93Å; E70-T74 PolarHBondContact O-OG1 2.94Å; L71-T74 PolarHBondContact O-N 2.77Å
75N92.2Very high93.7Very high77 Ų7762.6 Ų62.641%0.41233%0.326SS..  trans-129.953.1-173.2-165.37.9000113.1L71 F77 A78 Y79L71-N75 PolarHBondContact O-N 3.49Å; L71-N75 VanDerWaalsContact O-N 3.13Å; N75-F77 VanDerWaalsContact C-N 3.26Å; N75-F77 PolarHBondContact O-N 2.95Å; N75-A78 WeakPolarHBondContact ND2-CB 3.07Å; N75-A78 PolarHBondContact O-N 3.23Å; N75-Y79 HydrophobicContact CB-CE2 4.38Å; N75-Y79 WeakPolarHBondContact O-CD2 3.39Å; N75-Y79 WeakPolarHBondContact O-CE2 3.48Å
76R90Very high93.7Very high112 Ų11262.6 Ų62.642%0.42333%0.326SS..G310 helixtrans-54.5-37.5-176.1-69.9-76.9-165-113.9-3.7113.6L72 S73 A78 Y79L72-R76 WeakPolarHBondContact O-CA 3.39Å; L72-R76 WeakPolarHBondContact O-CD 3.38Å; L72-R76 VanDerWaalsContact O-CG 3.26Å; L72-R76 WeakPolarHBondContact O-CG 3.38Å; L72-R76 PolarHBondContact O-N 3.14Å; L72-R76 PolarHBondContact O-NH1 3.18Å; S73-R76 VanDerWaalsContact CA-CZ 3.42Å; S73-R76 PolarHBondContact OG-NH1 2.86Å; S73-R76 PolarHBondContact OG-NH2 3.3Å; R76-A78 PolarHBondContact O-N 3.12Å; R76-Y79 PolarHBondContact O-N 3.29Å
77F90.5Very high93.8Very high192 Ų19261.5 Ų61.584%0.84233%0.326SS*.G310 helixtrans-68.4-16.7-176.3-56-73000114.5Q56 N75 Y79Q56-F77 PolarHBondContact NE2-O 3.14Å; N75-F77 VanDerWaalsContact C-N 3.26Å; N75-F77 PolarHBondContact O-N 2.95Å; F77-Y79 VanDerWaalsContact C-N 3.25Å; F77-Y79 PolarHBondContact O-N 2.95Å
78A93.3Very high93.9Very high19 Ų1964.9 Ų64.916%0.15734%0.337CS..G310 helixtrans-78.4-9.1178.200000113.7N59 N75 R76N59-A78 WeakPolarHBondContact CB-O 3.39Å; N59-A78 PolarHBondContact ND2-O 3.47Å; N75-A78 WeakPolarHBondContact ND2-CB 3.07Å; N75-A78 PolarHBondContact O-N 3.23Å; R76-A78 PolarHBondContact O-N 3.12Å
79Y95.3Very high94Very high20 Ų2063.8 Ų63.88%0.07833%0.33CS..SBendtrans-122.2154.5-173.5-50.2-71.5000110.3N59 L63 L72 N75 R76 F77N59-Y79 HydrophobicContact CB-CD1 3.9Å; N59-Y79 HydrophobicContact CB-CE1 3.89Å; N59-Y79 WeakPolarHBondContact O-CE1 3.09Å; L63-Y79 HydrophobicContact CB-CD1 4.31Å; L63-Y79 HydrophobicContact CB-CE1 3.68Å; L63-Y79 HydrophobicContact CD1-CE1 4.37Å; L63-Y79 HydrophobicContact CD2-CD1 3.93Å; L63-Y79 HydrophobicContact CD2-CD2 4.49Å; L63-Y79 HydrophobicContact CD2-CE1 3.81Å; L63-Y79 HydrophobicContact CD2-CE2 4.35Å; L63-Y79 HydrophobicContact CD2-CG 4.27Å; L63-Y79 HydrophobicContact CG-CE1 4.17Å; L72-Y79 HydrophobicContact CD1-CD2 3.52Å; L72-Y79 HydrophobicContact CD1-CE2 4.08Å; L72-Y79 HydrophobicContact CD1-CG 3.82Å; N75-Y79 HydrophobicContact CB-CE2 4.38Å; N75-Y79 WeakPolarHBondContact O-CD2 3.39Å; N75-Y79 WeakPolarHBondContact O-CE2 3.48Å; R76-Y79 PolarHBondContact O-N 3.29Å; F77-Y79 VanDerWaalsContact C-N 3.25Å; F77-Y79 PolarHBondContact O-N 2.95Å
80P94.1Very high94Very high16 Ų1663.4 Ų63.410%0.10433%0.328CS..PPolyproline II helixtrans-68.5172.2168.834-36.2000109.6Q56 Y57 L60 L82Q56-P80 VanDerWaalsContact O-CD 3.31Å; Q56-P80 WeakPolarHBondContact O-CD 3.22Å; Y57-P80 HydrophobicContact CD1-CG 3.98Å; Y57-P80 HydrophobicContact CE1-CB 3.98Å; Y57-P80 HydrophobicContact CE1-CG 3.82Å; Y57-P80 HydrophobicContact CE2-CB 4.44Å; L60-P80 HydrophobicContact CB-CG 4.32Å; L60-P80 HydrophobicContact CD2-CG 3.85Å; P80-L82 WeakPolarHBondContact O-CD1 3.25Å; P80-L82 PolarHBondContact O-N 3.04Å; P80-L82 VanDerWaalsContact O-N 3.14Å
81D93Very high94.1Very high158 Ų15861 Ų6185%0.84532%0.317SS*.PPolyproline II helixtrans-63.7117.9172.5-71.1-31.3000110.4
82L93.6Very high94.3Very high34 Ų3458.1 Ų58.118%0.17830%0.301CS..PPolyproline II helixtrans-82133.1177.6-84.968000110.5L60 F64 L72 P80 Q86 V87L60-L82 HydrophobicContact CD1-CD1 3.71Å; L60-L82 HydrophobicContact CD1-CD2 4.1Å; L60-L82 HydrophobicContact CD1-CG 3.92Å; F64-L82 HydrophobicContact CE2-CD2 4.17Å; L72-L82 HydrophobicContact CD1-CD1 3.82Å; L72-L82 HydrophobicContact CD1-CD2 3.8Å; L72-L82 HydrophobicContact CD1-CG 4.45Å; L72-L82 HydrophobicContact CD2-CD2 3.72Å; L72-L82 HydrophobicContact CG-CD2 4.43Å; P80-L82 WeakPolarHBondContact O-CD1 3.25Å; P80-L82 PolarHBondContact O-N 3.04Å; P80-L82 VanDerWaalsContact O-N 3.14Å; L82-Q86 HydrophobicContact CB-CB 4.25Å; L82-Q86 HydrophobicContact CD2-CB 4.29Å; L82-Q86 HydrophobicContact CG-CB 4.21Å; L82-V87 HydrophobicContact CB-CG2 3.77Å; L82-V87 HydrophobicContact CD2-CG2 4.32Å
83R94.8Very high94.4Very high74 Ų7457.8 Ų57.828%0.27930%0.299SS..PPolyproline II helixtrans-69154.5170.7-67173-71.7158.712.3110.7Q26 E30 T85 Q86 V87Q26-R83 PolarHBondContact O-NH2 3.43Å; Q26-R83 VanDerWaalsContact OE1-NE 3.15Å; E30-R83 WeakPolarHBondContact OE1-CD 3.49Å; E30-R83 IonicContact OE1-CZ 3.34Å; E30-R83 IonicContact OE1-NE 3.25Å; E30-R83 PolarHBondContact OE1-NE 2.78Å; E30-R83 VanDerWaalsContact OE1-NE 3.15Å; E30-R83 IonicContact OE1-NH1 3.26Å; E30-R83 PolarHBondContact OE1-NH1 2.98Å; E30-R83 IonicContact OE1-NH2 2.72Å; E30-R83 PolarHBondContact OE1-NH2 2.83Å; E30-R83 VanDerWaalsContact OE1-NH2 3.15Å; E30-R83 IonicContact OE2-CZ 2.65Å; E30-R83 IonicContact OE2-NH1 3.13Å; E30-R83 PolarHBondContact OE2-NH1 3.44Å; E30-R83 IonicContact OE2-NH2 2.67Å; E30-R83 PolarHBondContact OE2-NH2 2.81Å; R83-T85 PolarHBondContact O-N 3.38Å; R83-T85 VanDerWaalsContact O-N 3.16Å; R83-Q86 HydrophobicContact CB-CG 4.41Å; R83-Q86 WeakPolarHBondContact O-CB 3.34Å; R83-Q86 PolarHBondContact O-N 2.95Å; R83-V87 PolarHBondContact O-N 3Å
84P95.2Very high94.8Very high112 Ų11256 Ų5673%0.72729%0.286SS*.Hα-helixtrans-56.2-36-176.8-27.135.2000114.1V87 R88P84-V87 PolarHBondContact O-N 3.49Å; P84-R88 WeakPolarHBondContact O-CB 3.19Å; P84-R88 PolarHBondContact O-N 3.26Å
85T96Very high95Very high73 Ų7350.1 Ų50.145%0.44825%0.251SS..Hα-helixtrans-58.5-46.2172.240.70000112.8E30 R83 R88 K89E30-T85 WeakPolarHBondContact CG-OG1 3.37Å; E30-T85 PolarHBondContact OE1-OG1 3.25Å; R83-T85 PolarHBondContact O-N 3.38Å; R83-T85 VanDerWaalsContact O-N 3.16Å; T85-R88 PolarHBondContact O-N 3.36Å; T85-K89 WeakPolarHBondContact O-CB 3.37Å; T85-K89 PolarHBondContact O-N 3.17Å
86Q96.6Very high95.2Very high1 Ų146.4 Ų46.41%0.00523%0.231CC..Hα-helixtrans-66.6-43.7177.1-65.1172.6-65.200110.7T29 E30 F64 L82 R83 R88 K89 L90T29-Q86 PolarHBondContact OG1-NE2 3.37Å; E30-Q86 HydrophobicContact CG-CG 3.52Å; F64-Q86 HydrophobicContact CZ-CB 3.96Å; F64-Q86 WeakPolarHBondContact CZ-O 3.48Å; L82-Q86 HydrophobicContact CB-CB 4.25Å; L82-Q86 HydrophobicContact CD2-CB 4.29Å; L82-Q86 HydrophobicContact CG-CB 4.21Å; R83-Q86 HydrophobicContact CB-CG 4.41Å; R83-Q86 WeakPolarHBondContact O-CB 3.34Å; R83-Q86 PolarHBondContact O-N 2.95Å; Q86-R88 VanDerWaalsContact C-N 3.33Å; Q86-R88 PolarHBondContact O-N 3.42Å; Q86-K89 PolarHBondContact O-N 2.92Å; Q86-L90 WeakPolarHBondContact O-CB 2.98Å; Q86-L90 PolarHBondContact O-N 3.29Å
87V96.3Very high95.5Very high38 Ų3843.3 Ų43.323%0.2322%0.223CC..Hα-helixtrans-59.2-46.8175173.90000110.7F69 L82 R83 P84 K89 L90 K91F69-V87 HydrophobicContact CD2-CG1 4.4Å; F69-V87 HydrophobicContact CE2-CG1 3.79Å; L82-V87 HydrophobicContact CB-CG2 3.77Å; L82-V87 HydrophobicContact CD2-CG2 4.32Å; R83-V87 PolarHBondContact O-N 3Å; P84-V87 PolarHBondContact O-N 3.49Å; V87-K89 VanDerWaalsContact C-N 3.32Å; V87-K89 PolarHBondContact O-N 3.47Å; V87-L90 PolarHBondContact O-N 3.14Å; V87-K91 WeakPolarHBondContact O-CG 3.38Å; V87-K91 PolarHBondContact O-N 3.28Å
88R96.4Very high95.7Very high76 Ų7634.7 Ų34.729%0.28719%0.185SC..Hα-helixtrans-56.5-47.1176.7-168.3177.7-17471.2-1.6111.3P84 T85 Q86 K91 Q92 L125 E128P84-R88 WeakPolarHBondContact O-CB 3.19Å; P84-R88 PolarHBondContact O-N 3.26Å; T85-R88 PolarHBondContact O-N 3.36Å; Q86-R88 VanDerWaalsContact C-N 3.33Å; Q86-R88 PolarHBondContact O-N 3.42Å; R88-K91 WeakPolarHBondContact O-CB 3.48Å; R88-K91 PolarHBondContact O-N 3.37Å; R88-Q92 WeakPolarHBondContact O-CG 3.41Å; R88-Q92 PolarHBondContact O-N 2.78Å; R88-L125 HydrophobicContact CG-CD2 3.53Å; R88-E128 IonicContact CZ-OE1 3.75Å; R88-E128 VanDerWaalsContact CZ-OE1 3.29Å; R88-E128 IonicContact CZ-OE2 2.78Å; R88-E128 IonicContact NE-OE1 3.44Å; R88-E128 PolarHBondContact NE-OE1 3.22Å; R88-E128 VanDerWaalsContact NE-OE1 3.13Å; R88-E128 IonicContact NE-OE2 2.98Å; R88-E128 PolarHBondContact NE-OE2 2.86Å; R88-E128 IonicContact NH2-OE1 3.04Å; R88-E128 PolarHBondContact NH2-OE1 3.13Å; R88-E128 IonicContact NH2-OE2 2.72Å; R88-E128 PolarHBondContact NH2-OE2 3.3Å
89K96.3Very high95.9Very high7 Ų733.8 Ų33.83%0.0318%0.178CC..Hα-helixtrans-66.2-37178.6-164-176.1-172.5-177.80113I28 T29 C31 L34 F37 F64 T85 Q86 V87 K91 Q92 L93I28-K89 PolarHBondContact O-NZ 2.65Å; T29-K89 WeakPolarHBondContact O-CD 3.43Å; T29-K89 PolarHBondContact O-NZ 3.15Å; C31-K89 VanDerWaalsContact O-CE 3.27Å; C31-K89 WeakPolarHBondContact O-CE 3.43Å; C31-K89 PolarHBondContact O-NZ 3.02Å; L34-K89 WeakPolarHBondContact O-CE 3.41Å; L34-K89 PolarHBondContact O-NZ 2.98Å; F37-K89 HydrophobicContact CZ-CD 4.49Å; F64-K89 HydrophobicContact CE1-CB 4.26Å; F64-K89 HydrophobicContact CE1-CD 4.08Å; F64-K89 HydrophobicContact CE1-CG 4.39Å; T85-K89 WeakPolarHBondContact O-CB 3.37Å; T85-K89 PolarHBondContact O-N 3.17Å; Q86-K89 PolarHBondContact O-N 2.92Å; V87-K89 VanDerWaalsContact C-N 3.32Å; V87-K89 PolarHBondContact O-N 3.47Å; K89-K91 VanDerWaalsContact C-N 3.33Å; K89-K91 PolarHBondContact O-N 3.08Å; K89-Q92 WeakPolarHBondContact O-CB 3.38Å; K89-Q92 PolarHBondContact O-N 2.8Å; K89-L93 WeakPolarHBondContact O-CG 3.47Å; K89-L93 PolarHBondContact O-N 3.27Å
90L97.1Very high95.7Very high0 Ų036.9 Ų36.90%019%0.193CC..Hα-helixtrans-65.4-38174.9-175.264.4000111.7L63 F64 F69 L72 Q86 V87 Q92 L93 S94L63-L90 HydrophobicContact CD1-CD1 4.44Å; L63-L90 HydrophobicContact CD1-CD2 4.39Å; L63-L90 HydrophobicContact CD2-CD2 3.84Å; L63-L90 HydrophobicContact CG-CD1 4.08Å; L63-L90 HydrophobicContact CG-CD2 4.17Å; F64-L90 HydrophobicContact CE2-CB 4.48Å; F64-L90 HydrophobicContact CE2-CD1 4.5Å; F64-L90 HydrophobicContact CZ-CB 4.19Å; F69-L90 HydrophobicContact CB-CD2 4.49Å; F69-L90 HydrophobicContact CB-CG 4.38Å; F69-L90 HydrophobicContact CD2-CD2 4.32Å; L72-L90 HydrophobicContact CB-CD2 3.77Å; L72-L90 HydrophobicContact CD2-CD2 3.76Å; L72-L90 HydrophobicContact CG-CD2 4.21Å; Q86-L90 WeakPolarHBondContact O-CB 2.98Å; Q86-L90 PolarHBondContact O-N 3.29Å; V87-L90 PolarHBondContact O-N 3.14Å; L90-Q92 VanDerWaalsContact C-N 3.35Å; L90-L93 PolarHBondContact O-N 2.98Å; L90-S94 WeakPolarHBondContact O-CB 3.34Å; L90-S94 PolarHBondContact O-N 2.87Å; L90-S94 PolarHBondContact O-OG 3.26Å
91K97.2Very high95.5Very high19 Ų1940.6 Ų40.68%0.08321%0.211CC..Hα-helixtrans-61.2-44.3170.9-67.9-173.9-178.9-162.30110.8F69 V87 R88 K89 L93 S94 I95 L114 I116 E121 L125F69-K91 HydrophobicContact CB-CG 4.45Å; F69-K91 HydrophobicContact CD2-CG 3.83Å; F69-K91 HydrophobicContact CE2-CG 4.3Å; F69-K91 HydrophobicContact CG-CG 4.07Å; V87-K91 WeakPolarHBondContact O-CG 3.38Å; V87-K91 PolarHBondContact O-N 3.28Å; R88-K91 WeakPolarHBondContact O-CB 3.48Å; R88-K91 PolarHBondContact O-N 3.37Å; K89-K91 VanDerWaalsContact C-N 3.33Å; K89-K91 PolarHBondContact O-N 3.08Å; K91-L93 PolarHBondContact O-N 3.47Å; K91-S94 WeakPolarHBondContact O-CB 3.36Å; K91-S94 PolarHBondContact O-N 2.83Å; K91-I95 WeakPolarHBondContact O-CG1 3.3Å; K91-I95 PolarHBondContact O-N 2.93Å; K91-L114 HydrophobicContact CB-CD2 4.15Å; K91-L114 HydrophobicContact CD-CB 4.4Å; K91-L114 WeakPolarHBondContact CE-O 3.24Å; K91-L114 HydrophobicContact CG-CB 4.41Å; K91-L114 HydrophobicContact CG-CD2 4.42Å; K91-L114 PolarHBondContact NZ-O 3.05Å; K91-I116 HydrophobicContact CD-CD1 4.14Å; K91-I116 HydrophobicContact CD-CG1 4.22Å; K91-E121 IonicContact NZ-OE1 3.87Å; K91-E121 PolarHBondContact NZ-OE1 3.01Å; K91-L125 HydrophobicContact CB-CD1 4.13Å; K91-L125 HydrophobicContact CD-CD1 4.21Å
92Q97Very high95.6Very high15 Ų1536.1 Ų36.17%0.0719%0.186CC..Hα-helixtrans-58.5-47.3174.5-71.1173.1-23.600112.9F35 R88 K89 L90 S94 I95 I96 L125 E128 L129F35-Q92 HydrophobicContact CE1-CB 4.44Å; R88-Q92 WeakPolarHBondContact O-CG 3.41Å; R88-Q92 PolarHBondContact O-N 2.78Å; K89-Q92 WeakPolarHBondContact O-CB 3.38Å; K89-Q92 PolarHBondContact O-N 2.8Å; L90-Q92 VanDerWaalsContact C-N 3.35Å; Q92-S94 PolarHBondContact O-N 2.86Å; Q92-I95 WeakPolarHBondContact O-CB 3.31Å; Q92-I95 PolarHBondContact O-N 3.26Å; Q92-I95 VanDerWaalsContact O-N 3.11Å; Q92-I96 WeakPolarHBondContact O-CG1 3.12Å; Q92-I96 PolarHBondContact O-N 3.32Å; Q92-L125 HydrophobicContact CG-CD2 3.89Å; Q92-E128 PolarHBondContact NE2-OE2 3.41Å; Q92-L129 HydrophobicContact CB-CD1 4.24Å; Q92-L129 HydrophobicContact CB-CD2 3.67Å; Q92-L129 HydrophobicContact CB-CG 4.25Å; Q92-L129 HydrophobicContact CG-CD1 4.37Å; Q92-L129 HydrophobicContact CG-CD2 3.87Å; Q92-L129 HydrophobicContact CG-CG 4.11Å
93L96.9Very high95.7Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-59.2-37.5176-73.8167.5000112.1F35 F37 F64 K89 L90 K91 I96 D97 R154F35-L93 HydrophobicContact CB-CD2 4.03Å; F35-L93 HydrophobicContact CD1-CD2 3.79Å; F35-L93 HydrophobicContact CD1-CG 4.4Å; F35-L93 HydrophobicContact CG-CD2 4.42Å; F37-L93 HydrophobicContact CE2-CD1 3.87Å; F37-L93 HydrophobicContact CE2-CD2 4.24Å; F64-L93 HydrophobicContact CB-CD1 4.35Å; F64-L93 HydrophobicContact CD1-CD1 3.69Å; F64-L93 HydrophobicContact CE1-CD1 4.3Å; F64-L93 HydrophobicContact CG-CD1 4.24Å; K89-L93 WeakPolarHBondContact O-CG 3.47Å; K89-L93 PolarHBondContact O-N 3.27Å; L90-L93 PolarHBondContact O-N 2.98Å; K91-L93 PolarHBondContact O-N 3.47Å; L93-I96 PolarHBondContact O-N 3.34Å; L93-D97 WeakPolarHBondContact O-CB 3.29Å; L93-D97 PolarHBondContact O-N 3.38Å; L93-R154 PolarHBondContact O-NH1 2.71Å
94S96.8Very high95.8Very high9 Ų941.2 Ų41.26%0.06321%0.21CC..Hα-helixtrans-68.1-34.6176.6-54.80000112.1T68 F69 L90 K91 Q92 D97 E98 L114T68-S94 WeakPolarHBondContact CA-OG 3.46Å; F69-S94 PolarHBondContact N-OG 2.67Å; L90-S94 WeakPolarHBondContact O-CB 3.34Å; L90-S94 PolarHBondContact O-N 2.87Å; L90-S94 PolarHBondContact O-OG 3.26Å; K91-S94 WeakPolarHBondContact O-CB 3.36Å; K91-S94 PolarHBondContact O-N 2.83Å; Q92-S94 PolarHBondContact O-N 2.86Å; S94-D97 PolarHBondContact O-N 2.81Å; S94-E98 PolarHBondContact O-N 3.12Å; S94-L114 VanDerWaalsContact CB-CD2 3.48Å
95I97.3Very high96Very high0 Ų035.9 Ų35.90%018%0.175CC..Hα-helixtrans-66.9-42.9172.2-62.8164.9000110.6K91 Q92 D97 E98 A99 L110 L114 L122 L125 V126 L129 I135 L146K91-I95 WeakPolarHBondContact O-CG1 3.3Å; K91-I95 PolarHBondContact O-N 2.93Å; Q92-I95 WeakPolarHBondContact O-CB 3.31Å; Q92-I95 PolarHBondContact O-N 3.26Å; Q92-I95 VanDerWaalsContact O-N 3.11Å; I95-D97 VanDerWaalsContact C-N 3.3Å; I95-D97 PolarHBondContact O-N 3.05Å; I95-E98 PolarHBondContact O-N 3.5Å; I95-A99 WeakPolarHBondContact O-CB 3.49Å; I95-A99 PolarHBondContact O-N 3.45Å; I95-L110 HydrophobicContact CG1-CD2 4.27Å; I95-L114 HydrophobicContact CD1-CD1 3.84Å; I95-L114 HydrophobicContact CG1-CD1 3.57Å; I95-L114 HydrophobicContact CG1-CD2 4.44Å; I95-L122 HydrophobicContact CD1-CD1 4.32Å; I95-L125 HydrophobicContact CD1-CB 3.97Å; I95-L125 HydrophobicContact CD1-CD1 4.41Å; I95-V126 HydrophobicContact CD1-CG2 4.38Å; I95-L129 HydrophobicContact CB-CD1 3.93Å; I95-L129 HydrophobicContact CD1-CD1 4.14Å; I95-L129 HydrophobicContact CG2-CD1 3.88Å; I95-I135 HydrophobicContact CG2-CD1 3.71Å; I95-L146 HydrophobicContact CG2-CD2 4.19Å
96I96.5Very high96Very high0 Ų035 Ų350%017%0.17CC..Hα-helixtrans-61.2-42177-65.2165.1000110.6F35 Q92 L93 A99 H100 L129 A134 I135 A151 I152 R154F35-I96 HydrophobicContact CD1-CD1 3.57Å; F35-I96 HydrophobicContact CE1-CD1 3.81Å; F35-I96 HydrophobicContact CG-CD1 4.03Å; F35-I96 HydrophobicContact CZ-CD1 4.42Å; Q92-I96 WeakPolarHBondContact O-CG1 3.12Å; Q92-I96 PolarHBondContact O-N 3.32Å; L93-I96 PolarHBondContact O-N 3.34Å; I96-A99 WeakPolarHBondContact O-CB 3.41Å; I96-A99 PolarHBondContact O-N 3.19Å; I96-H100 PolarHBondContact O-CD2 2.71Å; I96-H100 PolarHBondContact O-N 2.83Å; I96-L129 HydrophobicContact CD1-CD2 4.03Å; I96-L129 HydrophobicContact CG1-CD1 4.43Å; I96-L129 HydrophobicContact CG1-CD2 4.32Å; I96-A134 HydrophobicContact CD1-CB 4.13Å; I96-I135 HydrophobicContact CG1-CD1 3.89Å; I96-I135 HydrophobicContact CG1-CG1 4Å; I96-A151 HydrophobicContact CG2-CB 4.48Å; I96-I152 HydrophobicContact CD1-CD1 4.1Å; I96-I152 HydrophobicContact CD1-CG1 4.18Å; I96-I152 HydrophobicContact CG2-CG1 4.12Å; I96-I152 WeakPolarHBondContact CG2-O 3.17Å; I96-R154 HydrophobicContact CG2-CG 3.83Å
97D94.8Very high96.1Very high47 Ų4735.2 Ų35.225%0.25117%0.171SC..Hα-helixtrans-61.5-45.8176-164.651.9000111.7L93 S94 I95 A99 H100 N101L93-D97 WeakPolarHBondContact O-CB 3.29Å; L93-D97 PolarHBondContact O-N 3.38Å; S94-D97 PolarHBondContact O-N 2.81Å; I95-D97 VanDerWaalsContact C-N 3.3Å; I95-D97 PolarHBondContact O-N 3.05Å; D97-A99 VanDerWaalsContact C-N 3.26Å; D97-A99 PolarHBondContact O-N 3.25Å; D97-H100 PolarHBondContact O-N 3.27Å; D97-H100 VanDerWaalsContact O-N 3.12Å; D97-N101 PolarHBondContact O-N 3.3Å; D97-N101 PolarHBondContact O-ND2 2.72Å
98E96.1Very high96.1Very high11 Ų1139.3 Ų39.35%0.05119%0.192CC..Hα-helixtrans-61.7-35.4176-16358.6-135.900112.6S94 I95 H100 N101 Q102 I105 L109 L110 K113S94-E98 PolarHBondContact O-N 3.12Å; I95-E98 PolarHBondContact O-N 3.5Å; E98-H100 VanDerWaalsContact C-N 3.28Å; E98-H100 PolarHBondContact O-N 2.94Å; E98-N101 PolarHBondContact O-N 2.76Å; E98-N101 VanDerWaalsContact O-N 3.08Å; E98-Q102 PolarHBondContact O-N 3.33Å; E98-Q102 PolarHBondContact OE1-NE2 3.15Å; E98-I105 HydrophobicContact CB-CD1 4.21Å; E98-I105 HydrophobicContact CG-CD1 4Å; E98-I105 HydrophobicContact CG-CG1 4.15Å; E98-I105 HydrophobicContact CG-CG2 3.76Å; E98-L109 HydrophobicContact CG-CD2 4.27Å; E98-L109 WeakPolarHBondContact OE1-CD2 3.41Å; E98-L110 HydrophobicContact CB-CD2 4.44Å; E98-L110 HydrophobicContact CG-CD2 4.28Å; E98-K113 WeakPolarHBondContact OE2-CD 3.45Å; E98-K113 WeakPolarHBondContact OE2-CE 3.43Å; E98-K113 IonicContact OE2-NZ 2.88Å; E98-K113 PolarHBondContact OE2-NZ 3.23Å
99A96.1Very high96.1Very high0 Ų038.2 Ų38.20%019%0.192CC..Hα-helixtrans-66.7-23.317600000114.7I95 I96 D97 I105 I135 V148 A151I95-A99 WeakPolarHBondContact O-CB 3.49Å; I95-A99 PolarHBondContact O-N 3.45Å; I96-A99 WeakPolarHBondContact O-CB 3.41Å; I96-A99 PolarHBondContact O-N 3.19Å; D97-A99 VanDerWaalsContact C-N 3.26Å; D97-A99 PolarHBondContact O-N 3.25Å; A99-I105 HydrophobicContact CB-CD1 4.28Å; A99-I135 HydrophobicContact CB-CD1 4.14Å; A99-V148 HydrophobicContact CB-CB 4.41Å; A99-V148 HydrophobicContact CB-CG1 3.98Å; A99-V148 HydrophobicContact CB-CG2 3.95Å; A99-A151 HydrophobicContact CB-CB 3.75Å
100H91.4Very high96.1Very high85 Ų8538 Ų3839%0.39419%0.191SC..Hα-helixtrans-78.3-28.6169.7-77.4-65.6000112.4I96 D97 E98 I152I96-H100 PolarHBondContact O-CD2 2.71Å; I96-H100 PolarHBondContact O-N 2.83Å; D97-H100 PolarHBondContact O-N 3.27Å; D97-H100 VanDerWaalsContact O-N 3.12Å; E98-H100 VanDerWaalsContact C-N 3.28Å; E98-H100 PolarHBondContact O-N 2.94Å; H100-I152 PolarHBondContact CE1-O 2.84Å; H100-I152 PolarHBondContact NE2-O 3.33Å
101N90.7Very high96.2Very high93 Ų9340.3 Ų40.350%0.49720%0.201SC..Hα-helixtrans-81-38.8-178.1-65.2-33.6000112.2D97 E98D97-N101 PolarHBondContact O-N 3.3Å; D97-N101 PolarHBondContact O-ND2 2.72Å; E98-N101 PolarHBondContact O-N 2.76Å; E98-N101 VanDerWaalsContact O-N 3.08Å
102Q94.6Very high96.1Very high65 Ų6547.4 Ų47.430%0.30423%0.232SC..  trans-150149.5-179.966.7-172.3-35.300113.9E98 H104 I105E98-Q102 PolarHBondContact O-N 3.33Å; E98-Q102 PolarHBondContact OE1-NE2 3.15Å; Q102-H104 PolarHBondContact OE1-O 3.13Å; Q102-I105 HydrophobicContact CG-CG1 3.66Å
103K95.8Very high96Very high103 Ų10349.1 Ų49.145%0.44824%0.239SC..SBendtrans-86.6-20-178.2-61.1-69171.1-173.60113.9E147 V148 N149K103-E147 CarbonylContact O-C 3.58Å; K103-E147 WeakPolarHBondContact O-CA 3.38Å; K103-V148 WeakPolarHBondContact CD-O 3.49Å; K103-V148 PolarHBondContact O-N 3.22Å; K103-N149 PolarHBondContact NZ-O 3.11Å
104H97.7Very high96Very high112 Ų11249.1 Ų49.152%0.51924%0.239SC..EExtended strand (participates in β ladder)trans-122.8105177.8-57.893000107Q102 L145Q102-H104 PolarHBondContact OE1-O 3.13Å; H104-L145 HydrophobicContact CB-CD1 4.18Å; H104-L145 HydrophobicContact CB-CD2 4.31Å
105I98Very high95.9Very high0 Ų054.1 Ų54.10%027%0.265CS..EExtended strand (participates in β ladder)trans-109110.7-173.5-53164.6000108.8E98 A99 Q102 L109 L110 L146 V148E98-I105 HydrophobicContact CB-CD1 4.21Å; E98-I105 HydrophobicContact CG-CD1 4Å; E98-I105 HydrophobicContact CG-CG1 4.15Å; E98-I105 HydrophobicContact CG-CG2 3.76Å; A99-I105 HydrophobicContact CB-CD1 4.28Å; Q102-I105 HydrophobicContact CG-CG1 3.66Å; I105-L109 HydrophobicContact CG2-CD2 4.34Å; I105-L110 HydrophobicContact CB-CD1 4.48Å; I105-L110 HydrophobicContact CG2-CD1 3.78Å; I105-L110 HydrophobicContact CG2-CD2 3.79Å; I105-L110 HydrophobicContact CG2-CG 3.59Å; I105-L146 HydrophobicContact CB-CB 4.28Å; I105-L146 HydrophobicContact CD1-CD2 4.06Å; I105-L146 HydrophobicContact CD1-CG 4.46Å; I105-L146 PolarHBondContact N-O 3.32Å; I105-L146 PolarHBondContact O-N 2.77Å; I105-V148 HydrophobicContact CD1-CG2 3.8Å
106P97.5Very high95.8Very high53 Ų5354.4 Ų54.434%0.34427%0.266SS..EExtended strand (participates in β ladder)trans-63.6142.3174.4-21.433.7000111.5D108 L109 L110 L145P106-D108 PolarHBondContact O-N 2.97Å; P106-L109 WeakPolarHBondContact O-CB 3.45Å; P106-L109 PolarHBondContact O-N 3.01Å; P106-L109 VanDerWaalsContact O-N 3.15Å; P106-L110 PolarHBondContact O-N 3.38Å; P106-L145 HydrophobicContact CG-CD1 4.28Å
107Y97.6Very high95.6Very high6 Ų660.7 Ų60.72%0.02431%0.305CS..Hα-helixtrans-59.8-36.9176.5-78.319000111.6L109 L110 F111 L122 E123 L139 A144Y107-L109 PolarHBondContact O-N 3.44Å; Y107-L110 CarbonylContact O-C 3.57Å; Y107-L110 WeakPolarHBondContact O-CA 3.49Å; Y107-L110 PolarHBondContact O-N 2.84Å; Y107-F111 HydrophobicContact CD2-CZ 4.26Å; Y107-F111 WeakPolarHBondContact O-CD2 3.25Å; Y107-F111 WeakPolarHBondContact O-CG 3.43Å; Y107-F111 PolarHBondContact O-N 3.48Å; Y107-L122 HydrophobicContact CD1-CD2 4.01Å; Y107-L122 HydrophobicContact CD2-CD2 4.03Å; Y107-L122 HydrophobicContact CE1-CD2 4.48Å; Y107-L122 HydrophobicContact CE2-CD2 4.48Å; Y107-L122 HydrophobicContact CG-CD2 3.77Å; Y107-E123 HydrophobicContact CE2-CG 4.28Å; Y107-E123 PolarHBondContact OH-OE1 2.9Å; Y107-L139 HydrophobicContact CE1-CD2 4.18Å; Y107-L139 WeakPolarHBondContact OH-CD2 3.26Å; Y107-A144 WeakPolarHBondContact CB-O 3.34Å; Y107-A144 VanDerWaalsContact CD1-O 3.25Å; Y107-A144 WeakPolarHBondContact CD1-O 3.22Å; Y107-A144 HydrophobicContact CD2-CB 3.85Å; Y107-A144 HydrophobicContact CG-CB 3.87Å; Y107-A144 PolarHBondContact N-O 3Å
108D96.5Very high95.6Very high125 Ų12560.9 Ų60.967%0.66831%0.31SS*.Hα-helixtrans-56.3-37.2177.7-68-19.5000112.7P106 K112P106-D108 PolarHBondContact O-N 2.97Å; D108-K112 WeakPolarHBondContact O-CB 3.46Å; D108-K112 PolarHBondContact O-N 2.97Å; D108-K112 VanDerWaalsContact O-N 3.13Å
109L96.5Very high95.5Very high53 Ų5363.2 Ų63.228%0.27733%0.327SS..Hα-helixtrans-67.6-44.8175.9-178.264.8000110.8E98 I105 P106 Y107 K112 K113E98-L109 HydrophobicContact CG-CD2 4.27Å; E98-L109 WeakPolarHBondContact OE1-CD2 3.41Å; I105-L109 HydrophobicContact CG2-CD2 4.34Å; P106-L109 WeakPolarHBondContact O-CB 3.45Å; P106-L109 PolarHBondContact O-N 3.01Å; P106-L109 VanDerWaalsContact O-N 3.15Å; Y107-L109 PolarHBondContact O-N 3.44Å; L109-K112 PolarHBondContact O-N 3.13Å; L109-K113 HydrophobicContact CD1-CD 4.41Å; L109-K113 HydrophobicContact CD1-CG 4.29Å; L109-K113 HydrophobicContact CG-CD 4.48Å; L109-K113 WeakPolarHBondContact O-CB 3.42Å; L109-K113 WeakPolarHBondContact O-CG 3.43Å; L109-K113 PolarHBondContact O-N 3.36Å
110L97.1Very high95.5Very high2 Ų270 Ų701%0.0135%0.353CS..Hα-helixtrans-66.1-40.6178.4-66174.4000111.6I95 E98 I105 P106 Y107 K112 K113 L114 L122 L146I95-L110 HydrophobicContact CG1-CD2 4.27Å; E98-L110 HydrophobicContact CB-CD2 4.44Å; E98-L110 HydrophobicContact CG-CD2 4.28Å; I105-L110 HydrophobicContact CB-CD1 4.48Å; I105-L110 HydrophobicContact CG2-CD1 3.78Å; I105-L110 HydrophobicContact CG2-CD2 3.79Å; I105-L110 HydrophobicContact CG2-CG 3.59Å; P106-L110 PolarHBondContact O-N 3.38Å; Y107-L110 CarbonylContact O-C 3.57Å; Y107-L110 WeakPolarHBondContact O-CA 3.49Å; Y107-L110 PolarHBondContact O-N 2.84Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 3.36Å; L110-K113 PolarHBondContact O-N 2.84Å; L110-L114 HydrophobicContact CB-CD1 4.14Å; L110-L114 HydrophobicContact CD2-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 2.99Å; L110-L122 HydrophobicContact CB-CD1 3.83Å; L110-L122 HydrophobicContact CB-CD2 3.87Å; L110-L122 HydrophobicContact CD1-CD1 3.94Å; L110-L122 HydrophobicContact CD1-CD2 4.09Å; L110-L122 HydrophobicContact CD1-CG 4.48Å; L110-L122 HydrophobicContact CG-CD1 4.43Å; L110-L146 HydrophobicContact CD1-CD2 4.23Å
111F97.2Very high95.7Very high49 Ų4969.2 Ų69.222%0.21535%0.35CS..Hα-helixtrans-57.2-46.7174.2-70.2-32.7000111.5Y107 D115 I116 L122Y107-F111 HydrophobicContact CD2-CZ 4.26Å; Y107-F111 WeakPolarHBondContact O-CD2 3.25Å; Y107-F111 WeakPolarHBondContact O-CG 3.43Å; Y107-F111 PolarHBondContact O-N 3.48Å; F111-D115 WeakPolarHBondContact O-CA 3.41Å; F111-D115 PolarHBondContact O-N 3.02Å; F111-I116 WeakPolarHBondContact CA-O 3.44Å; F111-I116 VanDerWaalsContact CB-O 3.26Å; F111-I116 WeakPolarHBondContact CB-O 3.22Å; F111-I116 HydrophobicContact CD1-CB 4Å; F111-I116 HydrophobicContact CD1-CG2 3.92Å; F111-I116 WeakPolarHBondContact CD1-O 3.44Å; F111-I116 HydrophobicContact CE1-CG2 4.02Å; F111-I116 WeakPolarHBondContact CG-O 3.46Å; F111-I116 PolarHBondContact O-N 2.94Å; F111-L122 HydrophobicContact CD1-CD2 4.16Å; F111-L122 HydrophobicContact CE1-CB 4.02Å; F111-L122 HydrophobicContact CE1-CD2 3.81Å; F111-L122 HydrophobicContact CZ-CD2 4.34Å
112K95.4Very high96.1Very high167 Ų16764.8 Ų64.873%0.72633%0.326SS*.Hα-helixtrans-64.9-48.1177.8-172.7-178.4177.8-175.20112.3D108 L109 L110 L114D108-K112 WeakPolarHBondContact O-CB 3.46Å; D108-K112 PolarHBondContact O-N 2.97Å; D108-K112 VanDerWaalsContact O-N 3.13Å; L109-K112 PolarHBondContact O-N 3.13Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 3.36Å; K112-L114 PolarHBondContact O-N 3.39Å
113K95.4Very high96.2Very high51 Ų5162.9 Ų62.922%0.22232%0.317CS..Hα-helixtrans-70.9-30-176-73.5-159.9162.6-166.70113.7F69 E70 E98 L109 L110F69-K113 WeakPolarHBondContact CD1-O 3.46Å; E70-K113 HydrophobicContact CG-CB 4.25Å; E70-K113 HydrophobicContact CG-CG 4.48Å; E70-K113 VanDerWaalsContact CG-O 3.22Å; E70-K113 WeakPolarHBondContact CG-O 3.41Å; E98-K113 WeakPolarHBondContact OE2-CD 3.45Å; E98-K113 WeakPolarHBondContact OE2-CE 3.43Å; E98-K113 IonicContact OE2-NZ 2.88Å; E98-K113 PolarHBondContact OE2-NZ 3.23Å; L109-K113 HydrophobicContact CD1-CD 4.41Å; L109-K113 HydrophobicContact CD1-CG 4.29Å; L109-K113 HydrophobicContact CG-CD 4.48Å; L109-K113 WeakPolarHBondContact O-CB 3.42Å; L109-K113 WeakPolarHBondContact O-CG 3.43Å; L109-K113 PolarHBondContact O-N 3.36Å; L110-K113 PolarHBondContact O-N 2.84Å
114L96Very high96.3Very high1 Ų160.5 Ų60.51%0.00531%0.309CS..Hα-helixtrans-105.4-2.1-173-53175.5000113.4F69 K91 S94 I95 L110 K112 I116 L122F69-L114 HydrophobicContact CB-CD2 4.43Å; F69-L114 WeakPolarHBondContact CD1-O 3.42Å; F69-L114 VanDerWaalsContact CE1-O 3.26Å; F69-L114 WeakPolarHBondContact CE1-O 3.3Å; K91-L114 HydrophobicContact CB-CD2 4.15Å; K91-L114 HydrophobicContact CD-CB 4.4Å; K91-L114 WeakPolarHBondContact CE-O 3.24Å; K91-L114 HydrophobicContact CG-CB 4.41Å; K91-L114 HydrophobicContact CG-CD2 4.42Å; K91-L114 PolarHBondContact NZ-O 3.05Å; S94-L114 VanDerWaalsContact CB-CD2 3.48Å; I95-L114 HydrophobicContact CD1-CD1 3.84Å; I95-L114 HydrophobicContact CG1-CD1 3.57Å; I95-L114 HydrophobicContact CG1-CD2 4.44Å; L110-L114 HydrophobicContact CB-CD1 4.14Å; L110-L114 HydrophobicContact CD2-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 2.99Å; K112-L114 PolarHBondContact O-N 3.39Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 HydrophobicContact CB-CD1 3.64Å; L114-I116 HydrophobicContact CB-CG1 3.75Å; L114-I116 HydrophobicContact CD1-CD1 3.8Å; L114-I116 HydrophobicContact CG-CD1 4.39Å; L114-I116 PolarHBondContact O-N 3.11Å; L114-L122 HydrophobicContact CD1-CD1 3.92Å
115D94.8Very high96.3Very high114 Ų11455.1 Ų55.161%0.6128%0.284SS*.THydrogen-bonded Turntrans47.355.1-171.1-165.129.2000111F69 F111F69-D115 HydrophobicContact CD1-CB 4.49Å; F69-D115 HydrophobicContact CE1-CB 3.57Å; F69-D115 HydrophobicContact CZ-CB 4.28Å; F111-D115 WeakPolarHBondContact O-CA 3.41Å; F111-D115 PolarHBondContact O-N 3.02Å
116I95.1Very high96.3Very high5 Ų555.2 Ų55.23%0.02629%0.285CS..  trans-113132.5177.4-64.2173.8000107.6K91 F111 L114 S118 E121 L122 L125K91-I116 HydrophobicContact CD-CD1 4.14Å; K91-I116 HydrophobicContact CD-CG1 4.22Å; F111-I116 WeakPolarHBondContact CA-O 3.44Å; F111-I116 VanDerWaalsContact CB-O 3.26Å; F111-I116 WeakPolarHBondContact CB-O 3.22Å; F111-I116 HydrophobicContact CD1-CB 4Å; F111-I116 HydrophobicContact CD1-CG2 3.92Å; F111-I116 WeakPolarHBondContact CD1-O 3.44Å; F111-I116 HydrophobicContact CE1-CG2 4.02Å; F111-I116 WeakPolarHBondContact CG-O 3.46Å; F111-I116 PolarHBondContact O-N 2.94Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 HydrophobicContact CB-CD1 3.64Å; L114-I116 HydrophobicContact CB-CG1 3.75Å; L114-I116 HydrophobicContact CD1-CD1 3.8Å; L114-I116 HydrophobicContact CG-CD1 4.39Å; L114-I116 PolarHBondContact O-N 3.11Å; I116-S118 WeakPolarHBondContact CG2-O 3.47Å; I116-E121 HydrophobicContact CG2-CB 3.94Å; I116-E121 HydrophobicContact CG2-CG 4.21Å; I116-L122 HydrophobicContact CD1-CB 4.4Å; I116-L122 HydrophobicContact CD1-CD1 4.22Å; I116-L122 HydrophobicContact CG2-CB 4.24Å; I116-L125 HydrophobicContact CD1-CD1 3.49Å; I116-L125 VanDerWaalsContact CD1-CD1 3.49Å
117T92.6Very high96.3Very high133 Ų13355.4 Ų55.482%0.81628%0.282SS*.  trans-103-2317854.20000112.9
118S94.6Very high96.2Very high51 Ų5158.4 Ų58.436%0.35730%0.297SS..  trans-102.1124.8-175.5-179.60000111.1I116 R120 E121 L122I116-S118 WeakPolarHBondContact CG2-O 3.47Å; S118-R120 PolarHBondContact O-N 2.77Å; S118-R120 PolarHBondContact OG-N 3.19Å; S118-E121 PolarHBondContact O-N 2.88Å; S118-L122 PolarHBondContact O-N 3Å
119S95.3Very high96.3Very high59 Ų5952.5 Ų52.541%0.41327%0.265SS..Hα-helixtrans-56.4-34170.759.10000111.6L122 E123S119-L122 PolarHBondContact O-N 3.38Å; S119-E123 WeakPolarHBondContact O-CB 3.12Å; S119-E123 VanDerWaalsContact O-CG 3.22Å; S119-E123 WeakPolarHBondContact O-CG 3.36Å; S119-E123 PolarHBondContact O-N 2.83Å
120R95.9Very high96.4Very high143 Ų14352.7 Ų52.754%0.5426%0.263SS..Hα-helixtrans-64.4-44.3179.1-174.967.5-158.5-173.66112.4S118 L122 E123 D124S118-R120 PolarHBondContact O-N 2.77Å; S118-R120 PolarHBondContact OG-N 3.19Å; R120-L122 VanDerWaalsContact C-N 3.31Å; R120-L122 PolarHBondContact O-N 2.93Å; R120-E123 PolarHBondContact O-N 3.41Å; R120-D124 IonicContact CZ-OD1 3.58Å; R120-D124 VanDerWaalsContact CZ-OD1 3.25Å; R120-D124 IonicContact NE-OD1 3.37Å; R120-D124 PolarHBondContact NE-OD1 3.34Å; R120-D124 VanDerWaalsContact NE-OD1 3.13Å; R120-D124 IonicContact NE-OD2 3.36Å; R120-D124 PolarHBondContact NE-OD2 3.38Å; R120-D124 IonicContact NH2-OD1 3.15Å; R120-D124 PolarHBondContact NH2-OD1 3.19Å; R120-D124 IonicContact NH2-OD2 3.15Å; R120-D124 WeakPolarHBondContact O-CB 3.41Å; R120-D124 VanDerWaalsContact O-CG 3.24Å; R120-D124 PolarHBondContact O-N 2.98Å
121E96.5Very high96.3Very high69 Ų6961.9 Ų61.932%0.32230%0.299SS..Hα-helixtrans-62.7-42.4177.9-178.3-171.8163.500110.8K91 I116 S118 L125K91-E121 IonicContact NZ-OE1 3.87Å; K91-E121 PolarHBondContact NZ-OE1 3.01Å; I116-E121 HydrophobicContact CG2-CB 3.94Å; I116-E121 HydrophobicContact CG2-CG 4.21Å; S118-E121 PolarHBondContact O-N 2.88Å; E121-L125 WeakPolarHBondContact O-CG 3.27Å; E121-L125 PolarHBondContact O-N 3.32Å; E121-L125 VanDerWaalsContact O-N 3.14Å
122L97.6Very high96.2Very high0 Ų063 Ų630%031%0.307CS..Hα-helixtrans-62.3-49.2176.3177.461.3000111.5I95 Y107 L110 F111 L114 I116 S118 S119 R120 D124 L125 V126I95-L122 HydrophobicContact CD1-CD1 4.32Å; Y107-L122 HydrophobicContact CD1-CD2 4.01Å; Y107-L122 HydrophobicContact CD2-CD2 4.03Å; Y107-L122 HydrophobicContact CE1-CD2 4.48Å; Y107-L122 HydrophobicContact CE2-CD2 4.48Å; Y107-L122 HydrophobicContact CG-CD2 3.77Å; L110-L122 HydrophobicContact CB-CD1 3.83Å; L110-L122 HydrophobicContact CB-CD2 3.87Å; L110-L122 HydrophobicContact CD1-CD1 3.94Å; L110-L122 HydrophobicContact CD1-CD2 4.09Å; L110-L122 HydrophobicContact CD1-CG 4.48Å; L110-L122 HydrophobicContact CG-CD1 4.43Å; F111-L122 HydrophobicContact CD1-CD2 4.16Å; F111-L122 HydrophobicContact CE1-CB 4.02Å; F111-L122 HydrophobicContact CE1-CD2 3.81Å; F111-L122 HydrophobicContact CZ-CD2 4.34Å; L114-L122 HydrophobicContact CD1-CD1 3.92Å; I116-L122 HydrophobicContact CD1-CB 4.4Å; I116-L122 HydrophobicContact CD1-CD1 4.22Å; I116-L122 HydrophobicContact CG2-CB 4.24Å; S118-L122 PolarHBondContact O-N 3Å; S119-L122 PolarHBondContact O-N 3.38Å; R120-L122 VanDerWaalsContact C-N 3.31Å; R120-L122 PolarHBondContact O-N 2.93Å; L122-D124 VanDerWaalsContact C-N 3.34Å; L122-D124 PolarHBondContact O-N 3.32Å; L122-L125 WeakPolarHBondContact O-CB 3.38Å; L122-L125 PolarHBondContact O-N 2.88Å; L122-V126 WeakPolarHBondContact O-CG2 3.25Å; L122-V126 PolarHBondContact O-N 3.02Å
123E97.5Very high96.2Very high25 Ų2562.6 Ų62.612%0.11731%0.308CS..Hα-helixtrans-61.6-41.9179.8-74.3170.7-175.400111.8Y107 S119 R120 L125 V126 I127 L139 Q141Y107-E123 HydrophobicContact CE2-CG 4.28Å; Y107-E123 PolarHBondContact OH-OE1 2.9Å; S119-E123 WeakPolarHBondContact O-CB 3.12Å; S119-E123 VanDerWaalsContact O-CG 3.22Å; S119-E123 WeakPolarHBondContact O-CG 3.36Å; S119-E123 PolarHBondContact O-N 2.83Å; R120-E123 PolarHBondContact O-N 3.41Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 3.07Å; E123-V126 PolarHBondContact O-N 3.4Å; E123-I127 WeakPolarHBondContact O-CB 3.49Å; E123-I127 WeakPolarHBondContact O-CD1 3.49Å; E123-I127 WeakPolarHBondContact O-CG1 3.36Å; E123-I127 PolarHBondContact O-N 2.96Å; E123-L139 HydrophobicContact CB-CD1 4.47Å; E123-L139 HydrophobicContact CG-CD1 4.35Å; E123-Q141 VanDerWaalsContact OE1-CG 3.26Å; E123-Q141 WeakPolarHBondContact OE1-CG 3.34Å
124D97.8Very high96.2Very high52 Ų5260.2 Ų60.228%0.27830%0.298SS..Hα-helixtrans-63.2-37.1177.2-70.9-28.3000111.4R120 L122 E128R120-D124 IonicContact CZ-OD1 3.58Å; R120-D124 VanDerWaalsContact CZ-OD1 3.25Å; R120-D124 IonicContact NE-OD1 3.37Å; R120-D124 PolarHBondContact NE-OD1 3.34Å; R120-D124 VanDerWaalsContact NE-OD1 3.13Å; R120-D124 IonicContact NE-OD2 3.36Å; R120-D124 PolarHBondContact NE-OD2 3.38Å; R120-D124 IonicContact NH2-OD1 3.15Å; R120-D124 PolarHBondContact NH2-OD1 3.19Å; R120-D124 IonicContact NH2-OD2 3.15Å; R120-D124 WeakPolarHBondContact O-CB 3.41Å; R120-D124 VanDerWaalsContact O-CG 3.24Å; R120-D124 PolarHBondContact O-N 2.98Å; L122-D124 VanDerWaalsContact C-N 3.34Å; L122-D124 PolarHBondContact O-N 3.32Å; D124-E128 WeakPolarHBondContact O-CG 3.21Å; D124-E128 PolarHBondContact O-N 3.22Å
125L97Very high96.3Very high0 Ų060.3 Ų60.30%030%0.298CS..Hα-helixtrans-63-44.6172.3-73.1167.3000112R88 K91 Q92 I95 I116 E121 L122 E123 E128 L129R88-L125 HydrophobicContact CG-CD2 3.53Å; K91-L125 HydrophobicContact CB-CD1 4.13Å; K91-L125 HydrophobicContact CD-CD1 4.21Å; Q92-L125 HydrophobicContact CG-CD2 3.89Å; I95-L125 HydrophobicContact CD1-CB 3.97Å; I95-L125 HydrophobicContact CD1-CD1 4.41Å; I116-L125 HydrophobicContact CD1-CD1 3.49Å; I116-L125 VanDerWaalsContact CD1-CD1 3.49Å; E121-L125 WeakPolarHBondContact O-CG 3.27Å; E121-L125 PolarHBondContact O-N 3.32Å; E121-L125 VanDerWaalsContact O-N 3.14Å; L122-L125 WeakPolarHBondContact O-CB 3.38Å; L122-L125 PolarHBondContact O-N 2.88Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 3.07Å; L125-E128 PolarHBondContact O-N 3.34Å; L125-L129 WeakPolarHBondContact O-CG 3.46Å; L125-L129 PolarHBondContact O-N 2.99Å; L125-L129 VanDerWaalsContact O-N 3.11Å
126V97.6Very high96.4Very high1 Ų158.1 Ų58.11%0.00629%0.289CS..Hα-helixtrans-67.7-40.5179.6-179.10000110.9I95 L122 E123 E128 L129 F130 L139 L146I95-V126 HydrophobicContact CD1-CG2 4.38Å; L122-V126 WeakPolarHBondContact O-CG2 3.25Å; L122-V126 PolarHBondContact O-N 3.02Å; E123-V126 PolarHBondContact O-N 3.4Å; V126-E128 VanDerWaalsContact C-N 3.32Å; V126-E128 PolarHBondContact O-N 2.81Å; V126-L129 CarbonylContact O-C 3.59Å; V126-L129 WeakPolarHBondContact O-CB 3.37Å; V126-L129 PolarHBondContact O-N 3.28Å; V126-L129 VanDerWaalsContact O-N 3.09Å; V126-F130 HydrophobicContact CG1-CD1 4.25Å; V126-F130 HydrophobicContact CG1-CD2 4.45Å; V126-F130 HydrophobicContact CG1-CE1 3.75Å; V126-F130 HydrophobicContact CG1-CE2 3.96Å; V126-F130 HydrophobicContact CG1-CZ 3.59Å; V126-F130 WeakPolarHBondContact O-CG 3.37Å; V126-F130 PolarHBondContact O-N 3.19Å; V126-L139 HydrophobicContact CB-CD1 4.35Å; V126-L139 HydrophobicContact CB-CD2 4.14Å; V126-L139 HydrophobicContact CG1-CD1 4.27Å; V126-L139 HydrophobicContact CG1-CD2 3.92Å; V126-L139 HydrophobicContact CG1-CG 4.23Å; V126-L139 HydrophobicContact CG2-CD2 4.29Å; V126-L146 HydrophobicContact CG1-CD1 3.86Å; V126-L146 HydrophobicContact CG1-CD2 4.27Å; V126-L146 HydrophobicContact CG2-CD2 4.07Å
127I97.8Very high96.5Very high57 Ų5758.9 Ų58.929%0.29230%0.299SS..Hα-helixtrans-61.1-42.9176.8-71.1164.5000110.2E123 L129 F130 Y131 L139E123-I127 WeakPolarHBondContact O-CB 3.49Å; E123-I127 WeakPolarHBondContact O-CD1 3.49Å; E123-I127 WeakPolarHBondContact O-CG1 3.36Å; E123-I127 PolarHBondContact O-N 2.96Å; I127-L129 VanDerWaalsContact C-N 3.31Å; I127-L129 PolarHBondContact O-N 3.15Å; I127-F130 WeakPolarHBondContact O-CB 3.25Å; I127-F130 PolarHBondContact O-N 3.08Å; I127-F130 VanDerWaalsContact O-N 3.15Å; I127-Y131 HydrophobicContact CG2-CD2 3.66Å; I127-Y131 HydrophobicContact CG2-CE2 3.42Å; I127-Y131 VanDerWaalsContact CG2-CE2 3.42Å; I127-Y131 WeakPolarHBondContact O-CD2 3.39Å; I127-Y131 PolarHBondContact O-N 2.74Å; I127-L139 HydrophobicContact CG1-CD1 4.15Å
128E97Very high96.7Very high70 Ų7059 Ų5933%0.32729%0.288SS..Hα-helixtrans-58.7-42.1172.7-77.5173.7-165.800112.3R88 Q92 D124 L125 V126 F130 Y131 L132R88-E128 IonicContact CZ-OE1 3.75Å; R88-E128 VanDerWaalsContact CZ-OE1 3.29Å; R88-E128 IonicContact CZ-OE2 2.78Å; R88-E128 IonicContact NE-OE1 3.44Å; R88-E128 PolarHBondContact NE-OE1 3.22Å; R88-E128 VanDerWaalsContact NE-OE1 3.13Å; R88-E128 IonicContact NE-OE2 2.98Å; R88-E128 PolarHBondContact NE-OE2 2.86Å; R88-E128 IonicContact NH2-OE1 3.04Å; R88-E128 PolarHBondContact NH2-OE1 3.13Å; R88-E128 IonicContact NH2-OE2 2.72Å; R88-E128 PolarHBondContact NH2-OE2 3.3Å; Q92-E128 PolarHBondContact NE2-OE2 3.41Å; D124-E128 WeakPolarHBondContact O-CG 3.21Å; D124-E128 PolarHBondContact O-N 3.22Å; L125-E128 PolarHBondContact O-N 3.34Å; V126-E128 VanDerWaalsContact C-N 3.32Å; V126-E128 PolarHBondContact O-N 2.81Å; E128-F130 VanDerWaalsContact C-N 3.3Å; E128-F130 PolarHBondContact O-N 2.94Å; E128-Y131 PolarHBondContact O-N 3.15Å; E128-L132 WeakPolarHBondContact O-CB 3.42Å; E128-L132 WeakPolarHBondContact O-CG 3.26Å; E128-L132 PolarHBondContact O-N 2.99Å
129L97.6Very high96.8Very high0 Ų058 Ų580%028%0.278CS..Hα-helixtrans-65-33.4176.2-67.5172.3000112.3F35 Q92 I95 I96 L125 V126 I127 E133 A134 I135F35-L129 HydrophobicContact CE1-CD2 3.9Å; F35-L129 HydrophobicContact CZ-CD2 3.83Å; Q92-L129 HydrophobicContact CB-CD1 4.24Å; Q92-L129 HydrophobicContact CB-CD2 3.67Å; Q92-L129 HydrophobicContact CB-CG 4.25Å; Q92-L129 HydrophobicContact CG-CD1 4.37Å; Q92-L129 HydrophobicContact CG-CD2 3.87Å; Q92-L129 HydrophobicContact CG-CG 4.11Å; I95-L129 HydrophobicContact CB-CD1 3.93Å; I95-L129 HydrophobicContact CD1-CD1 4.14Å; I95-L129 HydrophobicContact CG2-CD1 3.88Å; I96-L129 HydrophobicContact CD1-CD2 4.03Å; I96-L129 HydrophobicContact CG1-CD1 4.43Å; I96-L129 HydrophobicContact CG1-CD2 4.32Å; L125-L129 WeakPolarHBondContact O-CG 3.46Å; L125-L129 PolarHBondContact O-N 2.99Å; L125-L129 VanDerWaalsContact O-N 3.11Å; V126-L129 CarbonylContact O-C 3.59Å; V126-L129 WeakPolarHBondContact O-CB 3.37Å; V126-L129 PolarHBondContact O-N 3.28Å; V126-L129 VanDerWaalsContact O-N 3.09Å; I127-L129 VanDerWaalsContact C-N 3.31Å; I127-L129 PolarHBondContact O-N 3.15Å; L129-E133 PolarHBondContact O-N 3.41Å; L129-A134 HydrophobicContact CB-CB 4.34Å; L129-A134 HydrophobicContact CD2-CB 3.87Å; L129-A134 PolarHBondContact O-N 2.92Å; L129-I135 HydrophobicContact CB-CB 4.46Å; L129-I135 HydrophobicContact CB-CD1 4.42Å; L129-I135 HydrophobicContact CB-CG1 4.33Å; L129-I135 HydrophobicContact CD1-CD1 3.74Å; L129-I135 HydrophobicContact CD1-CG1 4.42Å; L129-I135 PolarHBondContact O-N 3.36Å
130F97.7Very high96.9Very high57 Ų5756.7 Ų56.725%0.2527%0.267CS..Hα-helixtrans-66.3-44.4172.2-68-14.2000111.8V126 I127 E128 L132 E133 I135 L139 L146V126-F130 HydrophobicContact CG1-CD1 4.25Å; V126-F130 HydrophobicContact CG1-CD2 4.45Å; V126-F130 HydrophobicContact CG1-CE1 3.75Å; V126-F130 HydrophobicContact CG1-CE2 3.96Å; V126-F130 HydrophobicContact CG1-CZ 3.59Å; V126-F130 WeakPolarHBondContact O-CG 3.37Å; V126-F130 PolarHBondContact O-N 3.19Å; I127-F130 WeakPolarHBondContact O-CB 3.25Å; I127-F130 PolarHBondContact O-N 3.08Å; I127-F130 VanDerWaalsContact O-N 3.15Å; E128-F130 VanDerWaalsContact C-N 3.3Å; E128-F130 PolarHBondContact O-N 2.94Å; F130-L132 VanDerWaalsContact C-N 3.27Å; F130-L132 PolarHBondContact O-N 3.08Å; F130-E133 PolarHBondContact O-N 3.21Å; F130-I135 HydrophobicContact CD1-CB 4.38Å; F130-I135 VanDerWaalsContact CD1-O 3.24Å; F130-I135 WeakPolarHBondContact CD1-O 3.38Å; F130-I135 HydrophobicContact CE1-CB 4.36Å; F130-I135 HydrophobicContact CE1-CG2 4.11Å; F130-L139 HydrophobicContact CE2-CD1 4.3Å; F130-L139 HydrophobicContact CE2-CG 4.25Å; F130-L146 HydrophobicContact CZ-CD1 4.17Å
131Y96.3Very high96.9Very high196 Ų19655.3 Ų55.377%0.76927%0.266SS*.Hα-helixtrans-64.7-31.9176.8-82.4-70.1000113.2I127 E128I127-Y131 HydrophobicContact CG2-CD2 3.66Å; I127-Y131 HydrophobicContact CG2-CE2 3.42Å; I127-Y131 VanDerWaalsContact CG2-CE2 3.42Å; I127-Y131 WeakPolarHBondContact O-CD2 3.39Å; I127-Y131 PolarHBondContact O-N 2.74Å; E128-Y131 PolarHBondContact O-N 3.15Å
132L94.8Very high96.8Very high72 Ų7261.2 Ų61.238%0.37729%0.294SS..THydrogen-bonded Turntrans-82-1.1174.3-67.3172.3000113F35 E128 F130 A134F35-L132 HydrophobicContact CE2-CB 4.32Å; F35-L132 HydrophobicContact CE2-CD1 4.2Å; F35-L132 HydrophobicContact CZ-CB 4.44Å; F35-L132 HydrophobicContact CZ-CD1 3.71Å; E128-L132 WeakPolarHBondContact O-CB 3.42Å; E128-L132 WeakPolarHBondContact O-CG 3.26Å; E128-L132 PolarHBondContact O-N 2.99Å; F130-L132 VanDerWaalsContact C-N 3.27Å; F130-L132 PolarHBondContact O-N 3.08Å; L132-A134 HydrophobicContact CB-CB 4.43Å; L132-A134 PolarHBondContact O-N 3.22Å
133E95.4Very high96.7Very high159 Ų15968.1 Ų68.174%0.74332%0.324SS*.THydrogen-bonded Turntrans54.522.7-174-57-179.8171.100113.2L129 F130 I135L129-E133 PolarHBondContact O-N 3.41Å; F130-E133 PolarHBondContact O-N 3.21Å; E133-I135 VanDerWaalsContact C-N 3.34Å
134A95.7Very high96.7Very high1 Ų168.7 Ų68.71%0.00833%0.333CS..SBendtrans-73.5-31.8178.200000111.2F35 I96 L129 L132 A151 I152F35-A134 HydrophobicContact CD2-CB 4.3Å; F35-A134 HydrophobicContact CE2-CB 3.69Å; F35-A134 HydrophobicContact CZ-CB 3.89Å; I96-A134 HydrophobicContact CD1-CB 4.13Å; L129-A134 HydrophobicContact CB-CB 4.34Å; L129-A134 HydrophobicContact CD2-CB 3.87Å; L129-A134 PolarHBondContact O-N 2.92Å; L132-A134 HydrophobicContact CB-CB 4.43Å; L132-A134 PolarHBondContact O-N 3.22Å; A134-A151 CarbonylContact O-C 3.55Å; A134-A151 WeakPolarHBondContact O-CA 3.45Å; A134-I152 HydrophobicContact CB-CD1 3.74Å; A134-I152 HydrophobicContact CB-CG1 4.12Å; A134-I152 WeakPolarHBondContact O-CG1 3.37Å; A134-I152 PolarHBondContact O-N 3.42Å
135I96.9Very high96.6Very high2 Ų267.6 Ų67.61%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-134.5147173.8-56.1-178000107.9I95 I96 A99 L129 F130 E133 V148 S150 A151I95-I135 HydrophobicContact CG2-CD1 3.71Å; I96-I135 HydrophobicContact CG1-CD1 3.89Å; I96-I135 HydrophobicContact CG1-CG1 4Å; A99-I135 HydrophobicContact CB-CD1 4.14Å; L129-I135 HydrophobicContact CB-CB 4.46Å; L129-I135 HydrophobicContact CB-CD1 4.42Å; L129-I135 HydrophobicContact CB-CG1 4.33Å; L129-I135 HydrophobicContact CD1-CD1 3.74Å; L129-I135 HydrophobicContact CD1-CG1 4.42Å; L129-I135 PolarHBondContact O-N 3.36Å; F130-I135 HydrophobicContact CD1-CB 4.38Å; F130-I135 VanDerWaalsContact CD1-O 3.24Å; F130-I135 WeakPolarHBondContact CD1-O 3.38Å; F130-I135 HydrophobicContact CE1-CB 4.36Å; F130-I135 HydrophobicContact CE1-CG2 4.11Å; E133-I135 VanDerWaalsContact C-N 3.34Å; I135-V148 HydrophobicContact CG2-CB 4.49Å; I135-V148 HydrophobicContact CG2-CG1 3.7Å; I135-V148 HydrophobicContact CG2-CG2 4.17Å; I135-S150 CarbonylContact C-O 3.38Å; I135-S150 WeakPolarHBondContact CA-O 3.43Å; I135-A151 HydrophobicContact CG1-CB 4.14Å
136T97.3Very high96.7Very high68 Ų6867.6 Ų67.642%0.41733%0.327SS..EExtended strand (participates in β ladder)trans-124.1139.3167.463.90000109.3N149 S150T136-N149 PolarHBondContact O-N 3.46Å; T136-S150 PolarHBondContact N-O 3.15Å; T136-S150 PolarHBondContact O-N 3.39Å; T136-S150 WeakPolarHBondContact OG1-CB 3.4Å; T136-S150 PolarHBondContact OG1-N 3.1Å
137G97.2Very high96.7Very high22 Ų2270.2 Ų70.223%0.22734%0.339CS..EExtended strand (participates in β ladder)trans169.5-161.9-169.700000113E147G137-E147 CarbonylContact C-O 3.55Å; G137-E147 WeakPolarHBondContact CA-O 3.49Å
138K97.1Very high96.7Very high136 Ų13667.8 Ų67.859%0.59133%0.326SS*.EExtended strand (participates in β ladder)trans-137.9146.2176.4-63.7-178.7-177.4175.60110.3E147K138-E147 HydrophobicContact CB-CB 4.49Å; K138-E147 PolarHBondContact N-O 2.96Å; K138-E147 PolarHBondContact O-N 2.92Å
139L97.4Very high96.7Very high29 Ų2969.7 Ų69.715%0.15234%0.339CS..EExtended strand (participates in β ladder)trans-97120.5168.4-69164.6000107.8Y107 E123 V126 I127 F130 Q141 L146Y107-L139 HydrophobicContact CE1-CD2 4.18Å; Y107-L139 WeakPolarHBondContact OH-CD2 3.26Å; E123-L139 HydrophobicContact CB-CD1 4.47Å; E123-L139 HydrophobicContact CG-CD1 4.35Å; V126-L139 HydrophobicContact CB-CD1 4.35Å; V126-L139 HydrophobicContact CB-CD2 4.14Å; V126-L139 HydrophobicContact CG1-CD1 4.27Å; V126-L139 HydrophobicContact CG1-CD2 3.92Å; V126-L139 HydrophobicContact CG1-CG 4.23Å; V126-L139 HydrophobicContact CG2-CD2 4.29Å; I127-L139 HydrophobicContact CG1-CD1 4.15Å; F130-L139 HydrophobicContact CE2-CD1 4.3Å; F130-L139 HydrophobicContact CE2-CG 4.25Å; L139-Q141 PolarHBondContact O-OE1 3.27Å; L139-L146 HydrophobicContact CD2-CB 4.36Å; L139-L146 HydrophobicContact CD2-CD1 3.89Å; L139-L146 HydrophobicContact CG-CD1 4.49Å
140D96.9Very high96.6Very high32 Ų3272.9 Ų72.917%0.17136%0.362CS..EExtended strand (participates in β ladder)trans-101.391.9168.9-176.2-17.2000108Q142 K143 A144 L145D140-Q142 PolarHBondContact O-N 3.5Å; D140-Q142 PolarHBondContact OD1-N 3.03Å; D140-Q142 VanDerWaalsContact OD1-N 3.13Å; D140-K143 HydrophobicContact CB-CB 4.48Å; D140-K143 PolarHBondContact O-N 2.89Å; D140-K143 PolarHBondContact OD1-N 3.42Å; D140-K143 WeakPolarHBondContact OD2-CD 3.16Å; D140-K143 WeakPolarHBondContact OD2-CE 3.17Å; D140-K143 WeakPolarHBondContact OD2-CG 3.44Å; D140-K143 IonicContact OD2-NZ 3.32Å; D140-K143 PolarHBondContact OD2-NZ 3.17Å; D140-A144 WeakPolarHBondContact O-CA 3.09Å; D140-A144 PolarHBondContact O-N 3.17Å; D140-L145 HydrophobicContact CB-CB 4.36Å; D140-L145 PolarHBondContact N-O 3.13Å; D140-L145 PolarHBondContact O-N 3.37Å
141Q95.1Very high96.5Very high113 Ų11370.9 Ų70.953%0.52836%0.356SS..THydrogen-bonded Turntrans-68-25.2-178.6-61.986.4-4.100112.5E123 L139E123-Q141 VanDerWaalsContact OE1-CG 3.26Å; E123-Q141 WeakPolarHBondContact OE1-CG 3.34Å; L139-Q141 PolarHBondContact O-OE1 3.27Å
142Q94.9Very high96.4Very high193 Ų19364.1 Ų64.190%0.90233%0.332SS*.THydrogen-bonded Turntrans-72.2-38.8179.5-68.2-172.1-9.600111.3D140D140-Q142 PolarHBondContact O-N 3.5Å; D140-Q142 PolarHBondContact OD1-N 3.03Å; D140-Q142 VanDerWaalsContact OD1-N 3.13Å
143K95.8Very high96.2Very high146 Ų14663 Ų6364%0.63534%0.337SS*.THydrogen-bonded Turntrans-91-2.8175.8-62.5-175.7-162.3146.60113.9D140 L145D140-K143 HydrophobicContact CB-CB 4.48Å; D140-K143 PolarHBondContact O-N 2.89Å; D140-K143 PolarHBondContact OD1-N 3.42Å; D140-K143 WeakPolarHBondContact OD2-CD 3.16Å; D140-K143 WeakPolarHBondContact OD2-CE 3.17Å; D140-K143 WeakPolarHBondContact OD2-CG 3.44Å; D140-K143 IonicContact OD2-NZ 3.32Å; D140-K143 PolarHBondContact OD2-NZ 3.17Å; K143-L145 VanDerWaalsContact C-N 3.33Å; K143-L145 HydrophobicContact CB-CB 4.12Å; K143-L145 PolarHBondContact O-N 2.87Å
144A96.7Very high95.9Very high37 Ų3756.6 Ų56.631%0.30631%0.306SS..THydrogen-bonded Turntrans51.453.5-172.100000111.2Y107 D140Y107-A144 WeakPolarHBondContact CB-O 3.34Å; Y107-A144 VanDerWaalsContact CD1-O 3.25Å; Y107-A144 WeakPolarHBondContact CD1-O 3.22Å; Y107-A144 HydrophobicContact CD2-CB 3.85Å; Y107-A144 HydrophobicContact CG-CB 3.87Å; Y107-A144 PolarHBondContact N-O 3Å; D140-A144 WeakPolarHBondContact O-CA 3.09Å; D140-A144 PolarHBondContact O-N 3.17Å
145L97.3Very high95.8Very high28 Ų2857.6 Ų57.615%0.14731%0.312CS..EExtended strand (participates in β ladder)trans-133.2133.4-172.1-169.974.1000111.4H104 P106 D140 K143 E147H104-L145 HydrophobicContact CB-CD1 4.18Å; H104-L145 HydrophobicContact CB-CD2 4.31Å; P106-L145 HydrophobicContact CG-CD1 4.28Å; D140-L145 HydrophobicContact CB-CB 4.36Å; D140-L145 PolarHBondContact N-O 3.13Å; D140-L145 PolarHBondContact O-N 3.37Å; K143-L145 VanDerWaalsContact C-N 3.33Å; K143-L145 HydrophobicContact CB-CB 4.12Å; K143-L145 PolarHBondContact O-N 2.87Å; L145-E147 HydrophobicContact CD2-CG 4.13Å
146L98.1Very high95.5Very high0 Ų061.6 Ų61.60%033%0.332CS..EExtended strand (participates in β ladder)trans-97.3116.5167.3169.559.2000109.3I95 I105 L110 V126 F130 L139 V148I95-L146 HydrophobicContact CG2-CD2 4.19Å; I105-L146 HydrophobicContact CB-CB 4.28Å; I105-L146 HydrophobicContact CD1-CD2 4.06Å; I105-L146 HydrophobicContact CD1-CG 4.46Å; I105-L146 PolarHBondContact N-O 3.32Å; I105-L146 PolarHBondContact O-N 2.77Å; L110-L146 HydrophobicContact CD1-CD2 4.23Å; V126-L146 HydrophobicContact CG1-CD1 3.86Å; V126-L146 HydrophobicContact CG1-CD2 4.27Å; V126-L146 HydrophobicContact CG2-CD2 4.07Å; F130-L146 HydrophobicContact CZ-CD1 4.17Å; L139-L146 HydrophobicContact CD2-CB 4.36Å; L139-L146 HydrophobicContact CD2-CD1 3.89Å; L139-L146 HydrophobicContact CG-CD1 4.49Å; L146-V148 HydrophobicContact CD1-CG2 4.32Å; L146-V148 HydrophobicContact CD2-CG2 4.12Å; L146-V148 HydrophobicContact CG-CG2 3.84Å
147E97.9Very high95.1Very high57 Ų5762.8 Ų62.827%0.26633%0.329SS..EExtended strand (participates in β ladder)trans-95.6111.5174.1-60.3-174.8170.900109.4K103 G137 K138 L145K103-E147 CarbonylContact O-C 3.58Å; K103-E147 WeakPolarHBondContact O-CA 3.38Å; G137-E147 CarbonylContact C-O 3.55Å; G137-E147 WeakPolarHBondContact CA-O 3.49Å; K138-E147 HydrophobicContact CB-CB 4.49Å; K138-E147 PolarHBondContact N-O 2.96Å; K138-E147 PolarHBondContact O-N 2.92Å; L145-E147 HydrophobicContact CD2-CG 4.13Å
148V97.7Very high94.7Very high5 Ų568 Ų683%0.0335%0.349CS..EExtended strand (participates in β ladder)trans-99.1125.4-179.1-176.60000110.6A99 K103 I105 I135 L146A99-V148 HydrophobicContact CB-CB 4.41Å; A99-V148 HydrophobicContact CB-CG1 3.98Å; A99-V148 HydrophobicContact CB-CG2 3.95Å; K103-V148 WeakPolarHBondContact CD-O 3.49Å; K103-V148 PolarHBondContact O-N 3.22Å; I105-V148 HydrophobicContact CD1-CG2 3.8Å; I135-V148 HydrophobicContact CG2-CB 4.49Å; I135-V148 HydrophobicContact CG2-CG1 3.7Å; I135-V148 HydrophobicContact CG2-CG2 4.17Å; L146-V148 HydrophobicContact CD1-CG2 4.32Å; L146-V148 HydrophobicContact CD2-CG2 4.12Å; L146-V148 HydrophobicContact CG-CG2 3.84Å
149N96.6Very high94.4Very high110 Ų11067.9 Ų67.959%0.58835%0.351SS*.EExtended strand (participates in β ladder)trans-85-55169.4-64.2-31.7000110K103 T136K103-N149 PolarHBondContact NZ-O 3.11Å; T136-N149 PolarHBondContact O-N 3.46Å
150S95.7Very high94Very high68 Ų6870.1 Ų70.148%0.47636%0.361SS..EExtended strand (participates in β ladder)trans-143.4152.7-178-172.50000111.2I135 T136I135-S150 CarbonylContact C-O 3.38Å; I135-S150 WeakPolarHBondContact CA-O 3.43Å; T136-S150 PolarHBondContact N-O 3.15Å; T136-S150 PolarHBondContact O-N 3.39Å; T136-S150 WeakPolarHBondContact OG1-CB 3.4Å; T136-S150 PolarHBondContact OG1-N 3.1Å
151A95.8Very high93.8Very high15 Ų1572 Ų7212%0.12437%0.37CS..EExtended strand (participates in β ladder)trans-137.9149.7172.500000109.4I96 A99 A134 I135I96-A151 HydrophobicContact CG2-CB 4.48Å; A99-A151 HydrophobicContact CB-CB 3.75Å; A134-A151 CarbonylContact O-C 3.55Å; A134-A151 WeakPolarHBondContact O-CA 3.45Å; I135-A151 HydrophobicContact CG1-CB 4.14Å
152I94.5Very high93.8Very high54 Ų5472.2 Ų72.228%0.27737%0.374SS..  trans-65.9145.917460.9174.6000110.5F35 I96 H100 A134F35-I152 HydrophobicContact CB-CD1 3.52Å; F35-I152 HydrophobicContact CD1-CD1 4.47Å; F35-I152 HydrophobicContact CD2-CD1 3.23Å; F35-I152 HydrophobicContact CE2-CD1 3.99Å; F35-I152 HydrophobicContact CG-CD1 3.51Å; I96-I152 HydrophobicContact CD1-CD1 4.1Å; I96-I152 HydrophobicContact CD1-CG1 4.18Å; I96-I152 HydrophobicContact CG2-CG1 4.12Å; I96-I152 WeakPolarHBondContact CG2-O 3.17Å; H100-I152 PolarHBondContact CE1-O 2.84Å; H100-I152 PolarHBondContact NE2-O 3.33Å; A134-I152 HydrophobicContact CB-CD1 3.74Å; A134-I152 HydrophobicContact CB-CG1 4.12Å; A134-I152 WeakPolarHBondContact O-CG1 3.37Å; A134-I152 PolarHBondContact O-N 3.42Å
153G89.8Confident93.6Very high47 Ų4767.1 Ų67.149%0.48535%0.351SS..  trans-65.7136.6172.500000111.6
154R90.5Very high93.3Very high25 Ų2564 Ų649%0.09434%0.341CS..  trans-89.4178.4162.5-68.7-174.267.3-169.31.4109.8F64 C65 G67 L93 I96F64-R154 PolarHBondContact O-NH2 3.07Å; C65-R154 PolarHBondContact O-NH2 3.31Å; G67-R154 PolarHBondContact O-NH1 3.48Å; G67-R154 PolarHBondContact O-NH2 2.89Å; L93-R154 PolarHBondContact O-NH1 2.71Å; I96-R154 HydrophobicContact CG2-CG 3.83Å
155D92.8Very high93.2Very high23 Ų2367.5 Ų67.512%0.12335%0.35CS..  trans-63.2142.2170.3-54.8-66.7000111.4V36 F37 G38 C65 Y66V36-D155 WeakPolarHBondContact CG1-OD1 3.08Å; F37-D155 WeakPolarHBondContact CA-OD2 3.46Å; F37-D155 PolarHBondContact N-OD1 2.81Å; F37-D155 PolarHBondContact N-OD2 3.04Å; G38-D155 VanDerWaalsContact CA-OD1 3.29Å; G38-D155 WeakPolarHBondContact CA-OD1 3.49Å; G38-D155 PolarHBondContact N-OD1 3.17Å; G38-D155 PolarHBondContact N-OD2 3.41Å; C65-D155 WeakPolarHBondContact SG-CB 3.44Å; C65-D155 PolarHBondContact SG-OD2 2.91Å; Y66-D155 HydrophobicContact CD1-CB 4.1Å; Y66-D155 HydrophobicContact CE1-CB 3.61Å
156I89.6Confident93.2Very high86 Ų8672.2 Ų72.244%0.44137%0.371SS..  trans-115.9142.5176.856.5168.2000110L164I156-L164 HydrophobicContact CD1-CD2 4.35Å
157R90Very high92.9Very high92 Ų9277 Ų7735%0.34739%0.392SS..  trans-82158.8170.8-60.3-173.1174.8-161.1-1.8110.9Y66 E159 Q160Y66-R157 HydrophobicContact CD1-CG 3.55Å; Y66-R157 HydrophobicContact CD2-CG 4.1Å; Y66-R157 VanDerWaalsContact CD2-NE 3.35Å; Y66-R157 HydrophobicContact CE1-CG 3.56Å; Y66-R157 HydrophobicContact CE2-CG 4.1Å; Y66-R157 HydrophobicContact CG-CG 3.82Å; Y66-R157 VanDerWaalsContact CG-NE 3.29Å; R157-E159 VanDerWaalsContact CB-OE2 3.25Å; R157-E159 WeakPolarHBondContact CB-OE2 3.37Å; R157-E159 VanDerWaalsContact CD-OE2 3.22Å; R157-E159 WeakPolarHBondContact CD-OE2 3.18Å; R157-E159 PolarHBondContact O-N 3.45Å; R157-Q160 HydrophobicContact CB-CG 4.33Å; R157-Q160 WeakPolarHBondContact O-CB 3.38Å; R157-Q160 PolarHBondContact O-N 3.36Å
158M89.1Confident92.8Very high133 Ų13378.7 Ų78.766%0.65540%0.403SS*.G310 helixtrans-58-37.6174.7-67.1-65.1103.100111.4Q160 I161M158-Q160 PolarHBondContact O-N 3.5Å; M158-Q160 VanDerWaalsContact O-N 3.15Å; M158-I161 HydrophobicContact CE-CD1 3.75Å; M158-I161 WeakPolarHBondContact O-CB 3.47Å; M158-I161 WeakPolarHBondContact O-CG1 3.35Å; M158-I161 PolarHBondContact O-N 3.2Å; M158-I161 VanDerWaalsContact O-N 3.14Å; M158-I161 HydrophobicContact SD-CD1 3.64Å
159E90.4Very high92.8Very high133 Ų13382 Ų8262%0.62142%0.421SS*.G310 helixtrans-62.3-20.8177.4-49.283.3-116.300113.9R157R157-E159 VanDerWaalsContact CB-OE2 3.25Å; R157-E159 WeakPolarHBondContact CB-OE2 3.37Å; R157-E159 VanDerWaalsContact CD-OE2 3.22Å; R157-E159 WeakPolarHBondContact CD-OE2 3.18Å; R157-E159 PolarHBondContact O-N 3.45Å
160Q88.8Confident92.8Very high76 Ų7679.5 Ų79.536%0.35541%0.412SS..G310 helixtrans-90.1-6.3-179.2-61.6176.2-8200112.8R157 M158 D162 E163 L164R157-Q160 HydrophobicContact CB-CG 4.33Å; R157-Q160 WeakPolarHBondContact O-CB 3.38Å; R157-Q160 PolarHBondContact O-N 3.36Å; M158-Q160 PolarHBondContact O-N 3.5Å; M158-Q160 VanDerWaalsContact O-N 3.15Å; Q160-D162 VanDerWaalsContact C-N 3.3Å; Q160-D162 PolarHBondContact O-N 3.02Å; Q160-E163 PolarHBondContact O-N 3.27Å; Q160-L164 PolarHBondContact O-N 3.22Å
161I93Very high92.8Very high72 Ų7283.4 Ų83.437%0.36942%0.416SS..Hα-helixtrans-63.4-38.9-179.5-66176.3000110.8M158 E163 L164 H165M158-I161 HydrophobicContact CE-CD1 3.75Å; M158-I161 WeakPolarHBondContact O-CB 3.47Å; M158-I161 WeakPolarHBondContact O-CG1 3.35Å; M158-I161 PolarHBondContact O-N 3.2Å; M158-I161 VanDerWaalsContact O-N 3.14Å; M158-I161 HydrophobicContact SD-CD1 3.64Å; I161-E163 VanDerWaalsContact C-N 3.34Å; I161-E163 PolarHBondContact O-N 2.98Å; I161-L164 WeakPolarHBondContact O-CB 3.49Å; I161-L164 PolarHBondContact O-N 3.4Å; I161-H165 PolarHBondContact O-N 2.86Å
162D94.1Very high92.8Very high116 Ų11686.1 Ų86.162%0.6243%0.428SS*.Hα-helixtrans-64.5-39.9177.8-69.1-21.2000111.5Q160 L164 H165 Q166Q160-D162 VanDerWaalsContact C-N 3.3Å; Q160-D162 PolarHBondContact O-N 3.02Å; D162-L164 VanDerWaalsContact C-N 3.35Å; D162-H165 PolarHBondContact O-N 3.19Å; D162-Q166 VanDerWaalsContact O-CG 3.3Å; D162-Q166 WeakPolarHBondContact O-CG 3.47Å; D162-Q166 PolarHBondContact O-N 2.85Å
163E90.9Very high93Very high86 Ų8687.8 Ų87.840%0.40244%0.441SS..Hα-helixtrans-64.1-41.5174.5-170.3-168.1159.100111.1Q160 I161 Q166 K167Q160-E163 PolarHBondContact O-N 3.27Å; I161-E163 VanDerWaalsContact C-N 3.34Å; I161-E163 PolarHBondContact O-N 2.98Å; E163-Q166 PolarHBondContact O-N 3.09Å; E163-K167 WeakPolarHBondContact O-CG 3.28Å; E163-K167 PolarHBondContact O-N 3.42Å; E163-K167 WeakPolarHBondContact OE1-CE 3.44Å; E163-K167 IonicContact OE1-NZ 2.87Å; E163-K167 PolarHBondContact OE1-NZ 3.5Å
164L90.9Very high93.3Very high81 Ų8192.2 Ų92.242%0.42444%0.443SS..Hα-helixtrans-63-43.5176.1-177.764.5000111.4I156 Q160 I161 D162 Q166 K167 L168I156-L164 HydrophobicContact CD1-CD2 4.35Å; Q160-L164 PolarHBondContact O-N 3.22Å; I161-L164 WeakPolarHBondContact O-CB 3.49Å; I161-L164 PolarHBondContact O-N 3.4Å; D162-L164 VanDerWaalsContact C-N 3.35Å; L164-Q166 PolarHBondContact O-N 3.11Å; L164-K167 PolarHBondContact O-N 3.45Å; L164-L168 HydrophobicContact CG-CD1 4.23Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 3.01Å
165H94.9Very high93.7Very high111 Ų11193.6 Ų93.651%0.51445%0.454SS..Hα-helixtrans-58.6-48.2175.9-170-73000110.8I161 D162 K167 L168 D169I161-H165 PolarHBondContact O-N 2.86Å; D162-H165 PolarHBondContact O-N 3.19Å; H165-K167 VanDerWaalsContact C-N 3.32Å; H165-K167 PolarHBondContact O-N 3.42Å; H165-L168 PolarHBondContact O-N 2.9Å; H165-L168 VanDerWaalsContact O-N 3.17Å; H165-D169 IonicContact CE1-OD1 3.05Å; H165-D169 PolarHBondContact CE1-OD1 2.96Å; H165-D169 IonicContact CE1-OD2 2.68Å; H165-D169 PolarHBondContact CE1-OD2 3.02Å; H165-D169 IonicContact ND1-OD1 2.87Å; H165-D169 IonicContact ND1-OD2 3.56Å; H165-D169 PolarHBondContact ND1-OD2 2.86Å; H165-D169 PolarHBondContact O-N 3.15Å
166Q95.7Very high94Very high126 Ų12697.6 Ų97.659%0.58947%0.472SS*.Hα-helixtrans-61.3-39.5177.3-70.3172.522.900112.6D162 E163 L164 S170D162-Q166 VanDerWaalsContact O-CG 3.3Å; D162-Q166 WeakPolarHBondContact O-CG 3.47Å; D162-Q166 PolarHBondContact O-N 2.85Å; E163-Q166 PolarHBondContact O-N 3.09Å; L164-Q166 PolarHBondContact O-N 3.11Å; Q166-S170 VanDerWaalsContact O-CB 3.29Å; Q166-S170 WeakPolarHBondContact O-CB 3.4Å; Q166-S170 PolarHBondContact O-N 2.82Å; Q166-S170 PolarHBondContact O-OG 3.33Å
167K92.6Very high94.4Very high100 Ų10097.3 Ų97.344%0.43548%0.477SS..Hα-helixtrans-64-41.5175.3-76.7176.5-176.7170.60111.7E163 L164 H165 W171E163-K167 WeakPolarHBondContact O-CG 3.28Å; E163-K167 PolarHBondContact O-N 3.42Å; E163-K167 WeakPolarHBondContact OE1-CE 3.44Å; E163-K167 IonicContact OE1-NZ 2.87Å; E163-K167 PolarHBondContact OE1-NZ 3.5Å; L164-K167 PolarHBondContact O-N 3.45Å; H165-K167 VanDerWaalsContact C-N 3.32Å; H165-K167 PolarHBondContact O-N 3.42Å; K167-W171 WeakPolarHBondContact O-CB 2.94Å; K167-W171 PolarHBondContact O-N 3.2Å
168L95.5Very high94.7Very high93 Ų9397 Ų9749%0.48749%0.485SS..Hα-helixtrans-68.7-42.6177.3-73.2173.8000112.1L164 H165 S170 W171 N172L164-L168 HydrophobicContact CG-CD1 4.23Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 3.01Å; H165-L168 PolarHBondContact O-N 2.9Å; H165-L168 VanDerWaalsContact O-N 3.17Å; L168-S170 VanDerWaalsContact C-N 3.34Å; L168-S170 PolarHBondContact O-N 3.33Å; L168-W171 CarbonylContact O-C 3.55Å; L168-W171 WeakPolarHBondContact O-CB 3.42Å; L168-W171 PolarHBondContact O-N 3.1Å; L168-W171 VanDerWaalsContact O-N 3.14Å; L168-N172 PolarHBondContact O-N 3.26Å
169D97.5Very high95.2Very high76 Ų7695.7 Ų95.741%0.40648%0.481SS..Hα-helixtrans-59.9-47.5173.9-74.4-23.4000110.8H165 W171 N172 V173H165-D169 IonicContact CE1-OD1 3.05Å; H165-D169 PolarHBondContact CE1-OD1 2.96Å; H165-D169 IonicContact CE1-OD2 2.68Å; H165-D169 PolarHBondContact CE1-OD2 3.02Å; H165-D169 IonicContact ND1-OD1 2.87Å; H165-D169 IonicContact ND1-OD2 3.56Å; H165-D169 PolarHBondContact ND1-OD2 2.86Å; H165-D169 PolarHBondContact O-N 3.15Å; D169-W171 PolarHBondContact O-N 2.96Å; D169-N172 PolarHBondContact O-N 3.44Å; D169-N172 VanDerWaalsContact O-N 3.12Å; D169-V173 WeakPolarHBondContact O-CG2 3.38Å; D169-V173 PolarHBondContact O-N 2.94Å
170S96.4Very high95.5Very high57 Ų5791.8 Ų91.840%0.39947%0.471SS..Hα-helixtrans-60.2-36.5176.5-61.10000111.6Q166 L168 R174Q166-S170 VanDerWaalsContact O-CB 3.29Å; Q166-S170 WeakPolarHBondContact O-CB 3.4Å; Q166-S170 PolarHBondContact O-N 2.82Å; Q166-S170 PolarHBondContact O-OG 3.33Å; L168-S170 VanDerWaalsContact C-N 3.34Å; L168-S170 PolarHBondContact O-N 3.33Å; S170-R174 VanDerWaalsContact O-CG 3.3Å; S170-R174 WeakPolarHBondContact O-CG 3.48Å; S170-R174 PolarHBondContact O-N 3.35Å; S170-R174 VanDerWaalsContact O-N 3.14Å; S170-R174 PolarHBondContact O-NH1 3.4Å
171W95.1Very high95.9Very high150 Ų15093.4 Ų93.457%0.56848%0.479SS*.Hα-helixtrans-68-44.3174175.275.4000112K167 L168 D169 R174 V175K167-W171 WeakPolarHBondContact O-CB 2.94Å; K167-W171 PolarHBondContact O-N 3.2Å; L168-W171 CarbonylContact O-C 3.55Å; L168-W171 WeakPolarHBondContact O-CB 3.42Å; L168-W171 PolarHBondContact O-N 3.1Å; L168-W171 VanDerWaalsContact O-N 3.14Å; D169-W171 PolarHBondContact O-N 2.96Å; W171-R174 WeakPolarHBondContact O-CB 3.49Å; W171-R174 PolarHBondContact O-N 3.27Å; W171-V175 HydrophobicContact CD2-CG2 4.29Å; W171-V175 HydrophobicContact CZ2-CG2 4.07Å; W171-V175 WeakPolarHBondContact O-CG2 3.33Å; W171-V175 PolarHBondContact O-N 3.06Å
172N97.5Very high96.2Very high71 Ų7194.2 Ų94.238%0.3848%0.482SS..Hα-helixtrans-61-47177.1-173.344.7000111.5L168 D169 R174 V175 E176L168-N172 PolarHBondContact O-N 3.26Å; D169-N172 PolarHBondContact O-N 3.44Å; D169-N172 VanDerWaalsContact O-N 3.12Å; N172-R174 VanDerWaalsContact C-N 3.27Å; N172-R174 PolarHBondContact O-N 2.9Å; N172-V175 WeakPolarHBondContact O-CB 3.49Å; N172-V175 PolarHBondContact O-N 3.07Å; N172-E176 PolarHBondContact ND2-OE1 3.44Å; N172-E176 WeakPolarHBondContact O-CG 3.25Å; N172-E176 PolarHBondContact O-N 3.44Å
173V97.9Very high96.3Very high90 Ų9091.3 Ų91.355%0.54548%0.475SS..Hα-helixtrans-57.3-40.7175171.10000111.5D169 E176 S177D169-V173 WeakPolarHBondContact O-CG2 3.38Å; D169-V173 PolarHBondContact O-N 2.94Å; V173-E176 PolarHBondContact O-N 3.4Å; V173-S177 WeakPolarHBondContact O-CB 3.37Å; V173-S177 PolarHBondContact O-N 3.14Å
174R97Very high96.7Very high140 Ų14091.7 Ų91.753%0.52848%0.479SS..Hα-helixtrans-64.1-42.5174.8-75.7-173.2-57.5-924.3111.9S170 W171 N172 S177 V178S170-R174 VanDerWaalsContact O-CG 3.3Å; S170-R174 WeakPolarHBondContact O-CG 3.48Å; S170-R174 PolarHBondContact O-N 3.35Å; S170-R174 VanDerWaalsContact O-N 3.14Å; S170-R174 PolarHBondContact O-NH1 3.4Å; W171-R174 WeakPolarHBondContact O-CB 3.49Å; W171-R174 PolarHBondContact O-N 3.27Å; N172-R174 VanDerWaalsContact C-N 3.27Å; N172-R174 PolarHBondContact O-N 2.9Å; R174-S177 PolarHBondContact O-N 3.41Å; R174-V178 WeakPolarHBondContact O-CG2 3.43Å; R174-V178 PolarHBondContact O-N 2.78Å
175V98.2Very high97Very high54 Ų5491.7 Ų91.733%0.32748%0.477SS..Hα-helixtrans-62.7-46.9177.2171.90000110.6W171 N172 S177 V178 L179W171-V175 HydrophobicContact CD2-CG2 4.29Å; W171-V175 HydrophobicContact CZ2-CG2 4.07Å; W171-V175 WeakPolarHBondContact O-CG2 3.33Å; W171-V175 PolarHBondContact O-N 3.06Å; N172-V175 WeakPolarHBondContact O-CB 3.49Å; N172-V175 PolarHBondContact O-N 3.07Å; V175-S177 VanDerWaalsContact C-N 3.34Å; V175-S177 PolarHBondContact O-N 2.7Å; V175-V178 PolarHBondContact O-N 3.4Å; V175-L179 HydrophobicContact CG1-CD1 3.93Å; V175-L179 HydrophobicContact CG1-CG 4.4Å; V175-L179 WeakPolarHBondContact O-CB 3.27Å; V175-L179 WeakPolarHBondContact O-CG 2.79Å; V175-L179 PolarHBondContact O-N 3.32Å
176E98Very high97.2Very high107 Ų10791 Ų9150%0.548%0.476SS..Hα-helixtrans-59.3-43.8175.9-72175.1-173.600111.7N172 V173 V178 L179 A180N172-E176 PolarHBondContact ND2-OE1 3.44Å; N172-E176 WeakPolarHBondContact O-CG 3.25Å; N172-E176 PolarHBondContact O-N 3.44Å; V173-E176 PolarHBondContact O-N 3.4Å; E176-V178 PolarHBondContact O-N 3.46Å; E176-L179 PolarHBondContact O-N 2.87Å; E176-A180 VanDerWaalsContact O-CB 3.31Å; E176-A180 WeakPolarHBondContact O-CB 3.5Å; E176-A180 PolarHBondContact O-N 2.79Å
177S98Very high97.2Very high79 Ų7991 Ų9155%0.55248%0.475SS*.Hα-helixtrans-61.6-42.6176.1-178.70000112.4V173 R174 V175 H181V173-S177 WeakPolarHBondContact O-CB 3.37Å; V173-S177 PolarHBondContact O-N 3.14Å; R174-S177 PolarHBondContact O-N 3.41Å; V175-S177 VanDerWaalsContact C-N 3.34Å; V175-S177 PolarHBondContact O-N 2.7Å; S177-H181 WeakPolarHBondContact O-CB 2.99Å; S177-H181 PolarHBondContact O-N 3.23Å
178V98.1Very high97.5Very high85 Ų8591 Ų9152%0.51548%0.477SS..Hα-helixtrans-66.8-43.7177.7169.90000110.5R174 V175 E176 H181 I182R174-V178 WeakPolarHBondContact O-CG2 3.43Å; R174-V178 PolarHBondContact O-N 2.78Å; V175-V178 PolarHBondContact O-N 3.4Å; E176-V178 PolarHBondContact O-N 3.46Å; V178-H181 PolarHBondContact O-N 3.31Å; V178-I182 HydrophobicContact CG1-CD1 3.8Å; V178-I182 HydrophobicContact CG1-CG1 4.46Å; V178-I182 VanDerWaalsContact O-CG1 3.3Å; V178-I182 WeakPolarHBondContact O-CG1 3.41Å; V178-I182 PolarHBondContact O-N 3.46Å
179L97.9Very high97.6Very high107 Ų10790.2 Ų90.256%0.5648%0.476SS*.Hα-helixtrans-61.2-45.2176.3-73.8172.1000111.7V175 E176 H181 I182 A183V175-L179 HydrophobicContact CG1-CD1 3.93Å; V175-L179 HydrophobicContact CG1-CG 4.4Å; V175-L179 WeakPolarHBondContact O-CB 3.27Å; V175-L179 WeakPolarHBondContact O-CG 2.79Å; V175-L179 PolarHBondContact O-N 3.32Å; E176-L179 PolarHBondContact O-N 2.87Å; L179-H181 VanDerWaalsContact C-N 3.33Å; L179-H181 PolarHBondContact O-N 3.24Å; L179-I182 PolarHBondContact O-N 2.84Å; L179-A183 WeakPolarHBondContact O-CB 3.3Å; L179-A183 PolarHBondContact O-N 3.5Å
180A97.6Very high97.6Very high50 Ų5090.9 Ų90.941%0.41348%0.479SS..Hα-helixtrans-61.7-4217600000111.6E176 A183 N184E176-A180 VanDerWaalsContact O-CB 3.31Å; E176-A180 WeakPolarHBondContact O-CB 3.5Å; E176-A180 PolarHBondContact O-N 2.79Å; A180-A183 PolarHBondContact O-N 3.23Å; A180-N184 WeakPolarHBondContact O-CB 3.41Å; A180-N184 VanDerWaalsContact O-CG 3.3Å; A180-N184 PolarHBondContact O-N 3.24Å; A180-N184 PolarHBondContact O-ND2 2.92Å
181H97.9Very high97.7Very high111 Ų11191.7 Ų91.751%0.51448%0.479SS..Hα-helixtrans-62-46.2175.8-173.3-1.6000111.7S177 V178 L179 A183 N184 E185S177-H181 WeakPolarHBondContact O-CB 2.99Å; S177-H181 PolarHBondContact O-N 3.23Å; V178-H181 PolarHBondContact O-N 3.31Å; L179-H181 VanDerWaalsContact C-N 3.33Å; L179-H181 PolarHBondContact O-N 3.24Å; H181-A183 VanDerWaalsContact C-N 3.34Å; H181-A183 PolarHBondContact O-N 3.32Å; H181-N184 PolarHBondContact O-N 3Å; H181-E185 IonicContact CE1-OE1 3.13Å; H181-E185 PolarHBondContact CE1-OE1 3.36Å; H181-E185 IonicContact ND1-OE1 3.3Å; H181-E185 WeakPolarHBondContact O-CG 3.25Å; H181-E185 PolarHBondContact O-N 3.33Å
182I98.2Very high97.8Very high88 Ų8891.1 Ų91.145%0.45148%0.477SS..Hα-helixtrans-62.3-43.1177.8-68.5167.3000110.8V178 L179 N184 E185 I186V178-I182 HydrophobicContact CG1-CD1 3.8Å; V178-I182 HydrophobicContact CG1-CG1 4.46Å; V178-I182 VanDerWaalsContact O-CG1 3.3Å; V178-I182 WeakPolarHBondContact O-CG1 3.41Å; V178-I182 PolarHBondContact O-N 3.46Å; L179-I182 PolarHBondContact O-N 2.84Å; I182-N184 VanDerWaalsContact C-N 3.32Å; I182-N184 PolarHBondContact O-N 2.9Å; I182-E185 PolarHBondContact O-N 3.35Å; I182-I186 HydrophobicContact CG2-CD1 3.93Å; I182-I186 VanDerWaalsContact O-CG1 3.31Å; I182-I186 WeakPolarHBondContact O-CG1 3.33Å; I182-I186 PolarHBondContact O-N 2.8Å
183A97.5Very high97.7Very high55 Ų5595.5 Ų95.546%0.45549%0.488SS..Hα-helixtrans-61.1-41.8176.900000111.9L179 A180 H181 I186 K187L179-A183 WeakPolarHBondContact O-CB 3.3Å; L179-A183 PolarHBondContact O-N 3.5Å; A180-A183 PolarHBondContact O-N 3.23Å; H181-A183 VanDerWaalsContact C-N 3.34Å; H181-A183 PolarHBondContact O-N 3.32Å; A183-I186 PolarHBondContact O-N 3.17Å; A183-K187 PolarHBondContact O-N 3.02Å
184N97.8Very high97.7Very high94 Ų9498.7 Ų98.750%0.50349%0.492SS..Hα-helixtrans-64.9-42.7175.5-74.6-23.7000112.1A180 H181 I182 I186 K187 M188A180-N184 WeakPolarHBondContact O-CB 3.41Å; A180-N184 VanDerWaalsContact O-CG 3.3Å; A180-N184 PolarHBondContact O-N 3.24Å; A180-N184 PolarHBondContact O-ND2 2.92Å; H181-N184 PolarHBondContact O-N 3Å; I182-N184 VanDerWaalsContact C-N 3.32Å; I182-N184 PolarHBondContact O-N 2.9Å; N184-I186 VanDerWaalsContact C-N 3.34Å; N184-I186 PolarHBondContact O-N 3.27Å; N184-K187 PolarHBondContact O-N 3.37Å; N184-M188 WeakPolarHBondContact O-CG 3.17Å; N184-M188 PolarHBondContact O-N 3.04Å
185E97.8Very high97.7Very high81 Ų8198.1 Ų98.138%0.37950%0.495SS..Hα-helixtrans-60.1-44.3175.6-75.9-58.4134.300111.6H181 I182 K187 M188 V189H181-E185 IonicContact CE1-OE1 3.13Å; H181-E185 PolarHBondContact CE1-OE1 3.36Å; H181-E185 IonicContact ND1-OE1 3.3Å; H181-E185 WeakPolarHBondContact O-CG 3.25Å; H181-E185 PolarHBondContact O-N 3.33Å; I182-E185 PolarHBondContact O-N 3.35Å; E185-K187 VanDerWaalsContact C-N 3.34Å; E185-K187 PolarHBondContact O-N 3.44Å; E185-M188 PolarHBondContact O-N 2.98Å; E185-V189 WeakPolarHBondContact O-CB 3.46Å; E185-V189 VanDerWaalsContact O-CG2 3.28Å; E185-V189 WeakPolarHBondContact O-CG2 3.42Å; E185-V189 PolarHBondContact O-N 2.97Å
186I97.9Very high97.6Very high96 Ų9699 Ų9949%0.49250%0.504SS..Hα-helixtrans-60-45.8176.4-68.6166.6000110.7I182 A183 N184 V189 N190I182-I186 HydrophobicContact CG2-CD1 3.93Å; I182-I186 VanDerWaalsContact O-CG1 3.31Å; I182-I186 WeakPolarHBondContact O-CG1 3.33Å; I182-I186 PolarHBondContact O-N 2.8Å; A183-I186 PolarHBondContact O-N 3.17Å; N184-I186 VanDerWaalsContact C-N 3.34Å; N184-I186 PolarHBondContact O-N 3.27Å; I186-V189 PolarHBondContact O-N 3.35Å; I186-N190 PolarHBondContact O-N 3.36Å; I186-N190 PolarHBondContact O-ND2 3.49Å
187K97.6Very high97.5Very high128 Ų12897.8 Ų97.856%0.55750%0.498SS*.Hα-helixtrans-59.8-50.5177-176-173172-167.80111.2A183 N184 E185 V189 N190 D191A183-K187 PolarHBondContact O-N 3.02Å; N184-K187 PolarHBondContact O-N 3.37Å; E185-K187 VanDerWaalsContact C-N 3.34Å; E185-K187 PolarHBondContact O-N 3.44Å; K187-V189 VanDerWaalsContact C-N 3.28Å; K187-V189 PolarHBondContact O-N 3.3Å; K187-N190 PolarHBondContact O-N 2.94Å; K187-N190 VanDerWaalsContact O-N 3.07Å; K187-D191 WeakPolarHBondContact CE-OD2 3.26Å; K187-D191 PolarHBondContact O-N 3.41Å
188M97.3Very high97.4Very high98 Ų9897.7 Ų97.748%0.48349%0.491SS..Hα-helixtrans-61.2-34.8179.7-72.6-178.768.600113.1N184 E185 R192N184-M188 WeakPolarHBondContact O-CG 3.17Å; N184-M188 PolarHBondContact O-N 3.04Å; E185-M188 PolarHBondContact O-N 2.98Å; M188-R192 WeakPolarHBondContact O-CB 3.43Å; M188-R192 WeakPolarHBondContact O-CG 3.26Å; M188-R192 PolarHBondContact O-N 3.47Å; M188-R192 PolarHBondContact O-NE 3.35Å
189V98.2Very high97.3Very high77 Ų7798.7 Ų98.747%0.46749%0.49SS..Hα-helixtrans-68.8-41.1174.5169.80000110.9E185 I186 K187 R193E185-V189 WeakPolarHBondContact O-CB 3.46Å; E185-V189 VanDerWaalsContact O-CG2 3.28Å; E185-V189 WeakPolarHBondContact O-CG2 3.42Å; E185-V189 PolarHBondContact O-N 2.97Å; I186-V189 PolarHBondContact O-N 3.35Å; K187-V189 VanDerWaalsContact C-N 3.28Å; K187-V189 PolarHBondContact O-N 3.3Å; V189-R193 WeakPolarHBondContact O-CB 3.11Å; V189-R193 PolarHBondContact O-N 3.31Å
190N97.9Very high97.1Very high90 Ų9099.2 Ų99.248%0.48149%0.489SS..Hα-helixtrans-67.7-43.1178-72.3-26.8000112.5I186 K187 R193 Y194I186-N190 PolarHBondContact O-N 3.36Å; I186-N190 PolarHBondContact O-ND2 3.49Å; K187-N190 PolarHBondContact O-N 2.94Å; K187-N190 VanDerWaalsContact O-N 3.07Å; N190-R193 WeakPolarHBondContact O-CB 3.2Å; N190-R193 PolarHBondContact O-N 3.2Å; N190-Y194 PolarHBondContact O-N 3.22Å
191D97.5Very high97.1Very high74 Ų74102.9 Ų102.940%0.39650%0.496SS..Hα-helixtrans-62.7-47.8178.6-67.3-14.4000110.4K187 R193 Y194 E195K187-D191 WeakPolarHBondContact CE-OD2 3.26Å; K187-D191 PolarHBondContact O-N 3.41Å; D191-R193 VanDerWaalsContact C-N 3.28Å; D191-R193 PolarHBondContact O-N 3.42Å; D191-Y194 WeakPolarHBondContact O-CB 3.42Å; D191-Y194 PolarHBondContact O-N 3.25Å; D191-Y194 VanDerWaalsContact O-N 3.11Å; D191-E195 WeakPolarHBondContact O-CG 3.41Å; D191-E195 PolarHBondContact O-N 2.91Å
192R97.2Very high96.9Very high139 Ų139102.6 Ų102.653%0.52550%0.495SS..Hα-helixtrans-59.2-38.7175.1-79.3-174.2-75.9176-8.7112.8M188 S196M188-R192 WeakPolarHBondContact O-CB 3.43Å; M188-R192 WeakPolarHBondContact O-CG 3.26Å; M188-R192 PolarHBondContact O-N 3.47Å; M188-R192 PolarHBondContact O-NE 3.35Å; R192-S196 VanDerWaalsContact O-CB 3.31Å; R192-S196 WeakPolarHBondContact O-CB 3.47Å; R192-S196 PolarHBondContact O-N 3.01Å
193R96.8Very high96.8Very high163 Ų163102.7 Ų102.762%0.61550%0.495SS*.Hα-helixtrans-65.2-44.9176.1-179.6-179.6170.2176.3-0.9110.9V189 N190 D191 S196 E197V189-R193 WeakPolarHBondContact O-CB 3.11Å; V189-R193 PolarHBondContact O-N 3.31Å; N190-R193 WeakPolarHBondContact O-CB 3.2Å; N190-R193 PolarHBondContact O-N 3.2Å; D191-R193 VanDerWaalsContact C-N 3.28Å; D191-R193 PolarHBondContact O-N 3.42Å; R193-S196 PolarHBondContact O-N 3.05Å; R193-E197 IonicContact CZ-OE1 3.29Å; R193-E197 IonicContact NE-OE1 3.48Å; R193-E197 PolarHBondContact NE-OE1 2.8Å; R193-E197 IonicContact NH2-OE1 2.86Å; R193-E197 PolarHBondContact NH2-OE1 3.24Å; R193-E197 WeakPolarHBondContact O-CG 3.5Å; R193-E197 PolarHBondContact O-N 3.02Å
194Y96.7Very high96.7Very high156 Ų156104.8 Ų104.861%0.61250%0.498SS*.Hα-helixtrans-61.2-47.1178.2177-100.6000111.8N190 D191 S196 E197 L198N190-Y194 PolarHBondContact O-N 3.22Å; D191-Y194 WeakPolarHBondContact O-CB 3.42Å; D191-Y194 PolarHBondContact O-N 3.25Å; D191-Y194 VanDerWaalsContact O-N 3.11Å; Y194-S196 VanDerWaalsContact C-N 3.35Å; Y194-S196 PolarHBondContact O-N 3.18Å; Y194-E197 PolarHBondContact O-N 3.14Å; Y194-L198 PolarHBondContact O-N 3.18Å
195E96.8Very high96.5Very high128 Ų128106.7 Ų106.760%0.59850%0.504SS*.Hα-helixtrans-60.3-43.4175.9-71.3173.7179.300111.9D191 E197 L198 H199D191-E195 WeakPolarHBondContact O-CG 3.41Å; D191-E195 PolarHBondContact O-N 2.91Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.13Å; E195-L198 PolarHBondContact O-N 3.26Å; E195-H199 WeakPolarHBondContact O-CB 3.15Å; E195-H199 PolarHBondContact O-N 2.97Å
196S96Very high96.4Very high73 Ų73105.3 Ų105.351%0.5151%0.506SS..Hα-helixtrans-63.3-38.6176.4-177.10000112.4R192 R193 Y194 Q200R192-S196 VanDerWaalsContact O-CB 3.31Å; R192-S196 WeakPolarHBondContact O-CB 3.47Å; R192-S196 PolarHBondContact O-N 3.01Å; R193-S196 PolarHBondContact O-N 3.05Å; Y194-S196 VanDerWaalsContact C-N 3.35Å; Y194-S196 PolarHBondContact O-N 3.18Å; S196-Q200 WeakPolarHBondContact O-CB 3.36Å; S196-Q200 PolarHBondContact O-N 3.27Å
197E96.1Very high96.2Very high81 Ų81104.1 Ų104.138%0.37951%0.507SS..Hα-helixtrans-68.6-37.5177.1-75.1177.6-169.200111.4R193 Y194 E195 K201R193-E197 IonicContact CZ-OE1 3.29Å; R193-E197 IonicContact NE-OE1 3.48Å; R193-E197 PolarHBondContact NE-OE1 2.8Å; R193-E197 IonicContact NH2-OE1 2.86Å; R193-E197 PolarHBondContact NH2-OE1 3.24Å; R193-E197 WeakPolarHBondContact O-CG 3.5Å; R193-E197 PolarHBondContact O-N 3.02Å; Y194-E197 PolarHBondContact O-N 3.14Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.13Å; E197-K201 WeakPolarHBondContact O-CG 3.1Å; E197-K201 PolarHBondContact O-N 3.47Å
198L96.5Very high96.1Very high78 Ų78103 Ų10341%0.40851%0.506SS..Hα-helixtrans-65.7-49.4174.3-17566.4000111.2Y194 E195 Q200 K201 E202Y194-L198 PolarHBondContact O-N 3.18Å; E195-L198 PolarHBondContact O-N 3.26Å; L198-Q200 VanDerWaalsContact C-N 3.27Å; L198-Q200 PolarHBondContact O-N 2.88Å; L198-K201 WeakPolarHBondContact O-CB 3.37Å; L198-K201 PolarHBondContact O-N 3.4Å; L198-E202 PolarHBondContact O-N 3.41Å
199H95.3Very high95.9Very high106 Ų106101.8 Ų101.849%0.49151%0.507SS..Hα-helixtrans-58.5-39.5178-17754.6000112.2E195 K201 E202 I203E195-H199 WeakPolarHBondContact O-CB 3.15Å; E195-H199 PolarHBondContact O-N 2.97Å; H199-K201 VanDerWaalsContact C-N 3.32Å; H199-K201 PolarHBondContact O-N 3.2Å; H199-E202 PolarHBondContact O-N 3.28Å; H199-I203 WeakPolarHBondContact NE2-CD1 3.41Å; H199-I203 WeakPolarHBondContact O-CG1 3.31Å; H199-I203 PolarHBondContact O-N 3.03Å
200Q95.5Very high95.7Very high118 Ų118103 Ų10355%0.55151%0.51SS*.Hα-helixtrans-62.2-39175.5-174.9176.75.400112.2S196 L198 L204S196-Q200 WeakPolarHBondContact O-CB 3.36Å; S196-Q200 PolarHBondContact O-N 3.27Å; L198-Q200 VanDerWaalsContact C-N 3.27Å; L198-Q200 PolarHBondContact O-N 2.88Å; Q200-L204 HydrophobicContact CG-CD1 4.32Å; Q200-L204 VanDerWaalsContact O-CG 3.27Å; Q200-L204 WeakPolarHBondContact O-CG 3.2Å; Q200-L204 PolarHBondContact O-N 3.13Å; Q200-L204 VanDerWaalsContact O-N 3.1Å
201K95.7Very high95.4Very high127 Ų127103.9 Ų103.955%0.55251%0.51SS*.Hα-helixtrans-66.1-45.3176-70.4174-176.1174.40111.5E197 L198 H199 I203 L204 E205E197-K201 WeakPolarHBondContact O-CG 3.1Å; E197-K201 PolarHBondContact O-N 3.47Å; L198-K201 WeakPolarHBondContact O-CB 3.37Å; L198-K201 PolarHBondContact O-N 3.4Å; H199-K201 VanDerWaalsContact C-N 3.32Å; H199-K201 PolarHBondContact O-N 3.2Å; K201-I203 VanDerWaalsContact C-N 3.35Å; K201-I203 PolarHBondContact O-N 2.86Å; K201-L204 WeakPolarHBondContact O-CB 3.42Å; K201-L204 PolarHBondContact O-N 3.3Å; K201-L204 VanDerWaalsContact O-N 3.12Å; K201-E205 WeakPolarHBondContact O-CG 3.47Å; K201-E205 PolarHBondContact O-N 3.46Å
202E95.4Very high95.2Very high105 Ų105106.8 Ų106.849%0.49152%0.521SS..Hα-helixtrans-59.8-44.1177.8-68.5174168.900111.9L198 H199 L204 E205 A206L198-E202 PolarHBondContact O-N 3.41Å; H199-E202 PolarHBondContact O-N 3.28Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 2.68Å; E202-E205 PolarHBondContact O-N 3.44Å; E202-A206 VanDerWaalsContact O-CB 3.3Å; E202-A206 WeakPolarHBondContact O-CB 3.23Å; E202-A206 PolarHBondContact O-N 2.96Å
203I95.3Very high94.9Very high90 Ų90102.8 Ų102.846%0.46252%0.517SS..Hα-helixtrans-60.8-42.4175.2-71.8170.6000111H199 K201 S207H199-I203 WeakPolarHBondContact NE2-CD1 3.41Å; H199-I203 WeakPolarHBondContact O-CG1 3.31Å; H199-I203 PolarHBondContact O-N 3.03Å; K201-I203 VanDerWaalsContact C-N 3.35Å; K201-I203 PolarHBondContact O-N 2.86Å; I203-S207 WeakPolarHBondContact O-CB 3.06Å; I203-S207 PolarHBondContact O-N 3.19Å
204L94.9Very high94.6Very high99 Ų9999.3 Ų99.352%0.51851%0.511SS..Hα-helixtrans-64.7-44.9178.8-75.3169.8000111.5Q200 K201 E202 S207 L208Q200-L204 HydrophobicContact CG-CD1 4.32Å; Q200-L204 VanDerWaalsContact O-CG 3.27Å; Q200-L204 WeakPolarHBondContact O-CG 3.2Å; Q200-L204 PolarHBondContact O-N 3.13Å; Q200-L204 VanDerWaalsContact O-N 3.1Å; K201-L204 WeakPolarHBondContact O-CB 3.42Å; K201-L204 PolarHBondContact O-N 3.3Å; K201-L204 VanDerWaalsContact O-N 3.12Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 2.68Å; L204-S207 PolarHBondContact O-N 2.77Å; L204-L208 VanDerWaalsContact O-CG 3.3Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 2.75Å
205E95Very high94.2Very high134 Ų13499.3 Ų99.363%0.62651%0.51SS*.Hα-helixtrans-63.7-45.1177.2-72.3175.8-173.100111.8K201 E202 S207 L208 S209K201-E205 WeakPolarHBondContact O-CG 3.47Å; K201-E205 PolarHBondContact O-N 3.46Å; E202-E205 PolarHBondContact O-N 3.44Å; E205-S207 VanDerWaalsContact C-N 3.35Å; E205-S207 PolarHBondContact O-N 3.05Å; E205-L208 PolarHBondContact O-N 3.26Å; E205-S209 WeakPolarHBondContact O-CB 3.09Å; E205-S209 PolarHBondContact O-N 2.98Å
206A94.5Very high93.8Very high51 Ų5195 Ų9542%0.42150%0.499SS..Hα-helixtrans-61.4-42.6175.100000111.8E202 S209 I210E202-A206 VanDerWaalsContact O-CB 3.3Å; E202-A206 WeakPolarHBondContact O-CB 3.23Å; E202-A206 PolarHBondContact O-N 2.96Å; A206-S209 PolarHBondContact O-N 2.91Å; A206-I210 WeakPolarHBondContact O-CB 3.38Å; A206-I210 WeakPolarHBondContact O-CD1 3.36Å; A206-I210 VanDerWaalsContact O-CG1 3.23Å; A206-I210 WeakPolarHBondContact O-CG1 3.26Å; A206-I210 PolarHBondContact O-N 2.88Å
207S94.2Very high93.4Very high71 Ų7197.3 Ų97.350%0.49750%0.502SS..Hα-helixtrans-62.7-42.5176.5-178.70000112.2I203 L204 E205 K211I203-S207 WeakPolarHBondContact O-CB 3.06Å; I203-S207 PolarHBondContact O-N 3.19Å; L204-S207 PolarHBondContact O-N 2.77Å; E205-S207 VanDerWaalsContact C-N 3.35Å; E205-S207 PolarHBondContact O-N 3.05Å; S207-K211 WeakPolarHBondContact O-CB 3.45Å; S207-K211 PolarHBondContact O-N 3.12Å
208L94.4Very high92.7Very high105 Ų10599.4 Ų99.455%0.5551%0.513SS..Hα-helixtrans-63.4-46.2174.5-71.7174000111.5L204 E205 I210 K211 E212L204-L208 VanDerWaalsContact O-CG 3.3Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 2.75Å; E205-L208 PolarHBondContact O-N 3.26Å; L208-I210 PolarHBondContact O-N 3.39Å; L208-K211 WeakPolarHBondContact O-CB 3.38Å; L208-K211 PolarHBondContact O-N 3.18Å; L208-E212 WeakPolarHBondContact O-CG 3.5Å; L208-E212 PolarHBondContact O-N 2.99Å
209S94.1Very high91.9Very high72 Ų7298.5 Ų98.550%0.50352%0.517SS..Hα-helixtrans-60.8-44.1177.9-176.10000112.3E205 A206 K211 E212 A213E205-S209 WeakPolarHBondContact O-CB 3.09Å; E205-S209 PolarHBondContact O-N 2.98Å; A206-S209 PolarHBondContact O-N 2.91Å; S209-K211 VanDerWaalsContact C-N 3.33Å; S209-K211 PolarHBondContact O-N 3.27Å; S209-E212 PolarHBondContact O-N 3.5Å; S209-A213 WeakPolarHBondContact O-CB 3.15Å; S209-A213 PolarHBondContact O-N 3.1Å
210I93.5Very high91.1Very high102 Ų102100.8 Ų100.852%0.52353%0.526SS..Hα-helixtrans-61.3-43.5175.2-69.9164.4000110.5A206 L208 E212 A213 L214A206-I210 WeakPolarHBondContact O-CB 3.38Å; A206-I210 WeakPolarHBondContact O-CD1 3.36Å; A206-I210 VanDerWaalsContact O-CG1 3.23Å; A206-I210 WeakPolarHBondContact O-CG1 3.26Å; A206-I210 PolarHBondContact O-N 2.88Å; L208-I210 PolarHBondContact O-N 3.39Å; I210-E212 VanDerWaalsContact C-N 3.32Å; I210-E212 PolarHBondContact O-N 2.94Å; I210-A213 PolarHBondContact O-N 3.33Å; I210-L214 HydrophobicContact CG2-CD1 3.89Å; I210-L214 HydrophobicContact CG2-CG 4.35Å; I210-L214 WeakPolarHBondContact O-CB 3.45Å; I210-L214 WeakPolarHBondContact O-CG 3.39Å; I210-L214 PolarHBondContact O-N 3.4Å
211K92.1Very high90Very high109 Ų10999.6 Ų99.647%0.47453%0.527SS..Hα-helixtrans-62.5-38.8178.4-173.2179.4-178.2178.10112.1S207 L208 S209 R215S207-K211 WeakPolarHBondContact O-CB 3.45Å; S207-K211 PolarHBondContact O-N 3.12Å; L208-K211 WeakPolarHBondContact O-CB 3.38Å; L208-K211 PolarHBondContact O-N 3.18Å; S209-K211 VanDerWaalsContact C-N 3.33Å; S209-K211 PolarHBondContact O-N 3.27Å; K211-R215 WeakPolarHBondContact O-CG 3.3Å; K211-R215 PolarHBondContact O-N 2.79Å; K211-R215 VanDerWaalsContact O-N 3.07Å
212E92.1Very high88.7Confident136 Ų13698.2 Ų98.264%0.63653%0.525SS*.Hα-helixtrans-69-43.3175-71.3-177.1161.800112.1L208 S209 I210 L214 R215 G216L208-E212 WeakPolarHBondContact O-CG 3.5Å; L208-E212 PolarHBondContact O-N 2.99Å; S209-E212 PolarHBondContact O-N 3.5Å; I210-E212 VanDerWaalsContact C-N 3.32Å; I210-E212 PolarHBondContact O-N 2.94Å; E212-L214 VanDerWaalsContact C-N 3.35Å; E212-L214 PolarHBondContact O-N 3.49Å; E212-R215 PolarHBondContact O-N 3.24Å; E212-G216 PolarHBondContact O-N 3.06Å
213A91.9Very high87.3Confident54 Ų5495.5 Ų95.545%0.44652%0.521SS..Hα-helixtrans-60.4-43.6175.500000111.9S209 I210 G216 Q217S209-A213 WeakPolarHBondContact O-CB 3.15Å; S209-A213 PolarHBondContact O-N 3.1Å; I210-A213 PolarHBondContact O-N 3.33Å; A213-G216 PolarHBondContact O-N 3.38Å; A213-Q217 WeakPolarHBondContact O-CG 3.26Å; A213-Q217 PolarHBondContact O-N 2.91Å
214L90.3Very high85.5Confident91 Ų9198 Ų9848%0.47653%0.531SS..Hα-helixtrans-62.1-45.2175.2-75.6170000111.6I210 E212 G216 Q217 M218I210-L214 HydrophobicContact CG2-CD1 3.89Å; I210-L214 HydrophobicContact CG2-CG 4.35Å; I210-L214 WeakPolarHBondContact O-CB 3.45Å; I210-L214 WeakPolarHBondContact O-CG 3.39Å; I210-L214 PolarHBondContact O-N 3.4Å; E212-L214 VanDerWaalsContact C-N 3.35Å; E212-L214 PolarHBondContact O-N 3.49Å; L214-G216 VanDerWaalsContact C-N 3.31Å; L214-G216 PolarHBondContact O-N 3.24Å; L214-Q217 PolarHBondContact O-N 3.38Å; L214-M218 VanDerWaalsContact O-CG 3.3Å; L214-M218 WeakPolarHBondContact O-CG 3.32Å; L214-M218 PolarHBondContact O-N 3.02Å
215R89.2Confident83.7Confident156 Ų15696.9 Ų96.959%0.58953%0.531SS*.Hα-helixtrans-59.4-42.1174.7-78.2173.7171.2-179-6.1112.1K211 E212 Q217 M218 A219K211-R215 WeakPolarHBondContact O-CG 3.3Å; K211-R215 PolarHBondContact O-N 2.79Å; K211-R215 VanDerWaalsContact O-N 3.07Å; E212-R215 PolarHBondContact O-N 3.24Å; R215-Q217 VanDerWaalsContact C-N 3.34Å; R215-M218 PolarHBondContact O-N 3.47Å; R215-A219 WeakPolarHBondContact O-CB 3.48Å; R215-A219 PolarHBondContact O-N 3.06Å
216G88.2Confident81.9Confident37 Ų3796.5 Ų96.538%0.38153%0.532SS..Hα-helixtrans-64.6-36.2176.300000113.1E212 A213 L214 K220E212-G216 PolarHBondContact O-N 3.06Å; A213-G216 PolarHBondContact O-N 3.38Å; L214-G216 VanDerWaalsContact C-N 3.31Å; L214-G216 PolarHBondContact O-N 3.24Å; G216-K220 WeakPolarHBondContact O-CG 3.28Å; G216-K220 PolarHBondContact O-N 2.85Å
217Q86.5Confident80Confident122 Ų122104.6 Ų104.657%0.5755%0.552SS**Hα-helixtrans-70.2-45.8174.2-72.7-1803.400111.9A213 L214 R215 A219 K220 T221A213-Q217 WeakPolarHBondContact O-CG 3.26Å; A213-Q217 PolarHBondContact O-N 2.91Å; L214-Q217 PolarHBondContact O-N 3.38Å; R215-Q217 VanDerWaalsContact C-N 3.34Å; Q217-A219 VanDerWaalsContact C-N 3.33Å; Q217-A219 PolarHBondContact O-N 3.49Å; Q217-K220 PolarHBondContact O-N 3.31Å; Q217-K220 VanDerWaalsContact O-N 3.13Å; Q217-T221 PolarHBondContact O-N 2.77Å; Q217-T221 PolarHBondContact O-OG1 3.4Å; Q217-T221 VanDerWaalsContact O-OG1 3.07Å
218M81.7Confident78Confident124 Ų124108.5 Ų108.561%0.61156%0.564SS**Hα-helixtrans-59.2-44.3177.1-67.5178.691.400111.4L214 R215 K220 T221 D222L214-M218 VanDerWaalsContact O-CG 3.3Å; L214-M218 WeakPolarHBondContact O-CG 3.32Å; L214-M218 PolarHBondContact O-N 3.02Å; R215-M218 PolarHBondContact O-N 3.47Å; M218-K220 VanDerWaalsContact C-N 3.29Å; M218-K220 PolarHBondContact O-N 2.75Å; M218-T221 PolarHBondContact O-N 2.62Å; M218-D222 VanDerWaalsContact O-CG 3.28Å; M218-D222 PolarHBondContact O-N 2.85Å
219A81Confident75.9Confident60 Ų60109.7 Ų109.750%0.49657%0.571SS.*Hα-helixtrans-62.2-33176.700000113.4R215 Q217 A223R215-A219 WeakPolarHBondContact O-CB 3.48Å; R215-A219 PolarHBondContact O-N 3.06Å; Q217-A219 VanDerWaalsContact C-N 3.33Å; Q217-A219 PolarHBondContact O-N 3.49Å; A219-A223 WeakPolarHBondContact O-CB 3.35Å; A219-A223 PolarHBondContact O-N 3.03Å; A219-A223 VanDerWaalsContact O-N 3.14Å
220K77.7Confident73.6Confident154 Ų154113.5 Ų113.567%0.6758%0.583SS**Hα-helixtrans-71.6-43.6173.8-74.1177.4-178-178.20111.6G216 Q217 M218 A223 Q224G216-K220 WeakPolarHBondContact O-CG 3.28Å; G216-K220 PolarHBondContact O-N 2.85Å; Q217-K220 PolarHBondContact O-N 3.31Å; Q217-K220 VanDerWaalsContact O-N 3.13Å; M218-K220 VanDerWaalsContact C-N 3.29Å; M218-K220 PolarHBondContact O-N 2.75Å; K220-A223 PolarHBondContact O-N 2.69Å; K220-Q224 WeakPolarHBondContact O-CB 3.29Å; K220-Q224 PolarHBondContact O-N 3.47Å
221T73.3Confident71.2Confident93 Ų93115.3 Ų115.357%0.57159%0.594SS**Hα-helixtrans-61.2-44.8177-53.90000111.2Q217 M218 Q224 S225Q217-T221 PolarHBondContact O-N 2.77Å; Q217-T221 PolarHBondContact O-OG1 3.4Å; Q217-T221 VanDerWaalsContact O-OG1 3.07Å; M218-T221 PolarHBondContact O-N 2.62Å; T221-Q224 PolarHBondContact O-N 2.96Å; T221-S225 PolarHBondContact O-N 3.16Å
222D68Low68.8Low98 Ų98117.1 Ų117.152%0.52461%0.608SS.*Hα-helixtrans-63.6-43.2177.5-67.6-19.8000111.5M218 Q224 S225 L226M218-D222 VanDerWaalsContact O-CG 3.28Å; M218-D222 PolarHBondContact O-N 2.85Å; D222-Q224 VanDerWaalsContact C-N 3.29Å; D222-Q224 PolarHBondContact O-N 2.91Å; D222-S225 PolarHBondContact O-N 3.45Å; D222-L226 WeakPolarHBondContact O-CB 3.49Å; D222-L226 WeakPolarHBondContact O-CG 3.33Å; D222-L226 PolarHBondContact O-N 3.28Å
223A64.8Low66.4Low48 Ų48117.3 Ų117.340%0.39761%0.612SS.*Hα-helixtrans-65.8-31.6176.200000112.9A219 K220 R227A219-A223 WeakPolarHBondContact O-CB 3.35Å; A219-A223 PolarHBondContact O-N 3.03Å; A219-A223 VanDerWaalsContact O-N 3.14Å; K220-A223 PolarHBondContact O-N 2.69Å; A223-R227 WeakPolarHBondContact O-CG 3.49Å; A223-R227 PolarHBondContact O-N 3.23Å; A223-R227 VanDerWaalsContact O-N 3.13Å
224Q58.5Low64.2Low143 Ų143123 Ų12367%0.66863%0.634SS**Hα-helixtrans-77-34.5177.4-155.8145.9-400111.4K220 T221 D222 R227 M228K220-Q224 WeakPolarHBondContact O-CB 3.29Å; K220-Q224 PolarHBondContact O-N 3.47Å; T221-Q224 PolarHBondContact O-N 2.96Å; D222-Q224 VanDerWaalsContact C-N 3.29Å; D222-Q224 PolarHBondContact O-N 2.91Å; Q224-R227 PolarHBondContact O-N 3.14Å; Q224-M228 PolarHBondContact O-N 2.54Å
225S57.3Low61.9Low74 Ų74125.6 Ų125.652%0.51765%0.647SS.*Hα-helixtrans-64.6-45.9169.6-1620000111.4T221 D222 R227 M228T221-S225 PolarHBondContact O-N 3.16Å; D222-S225 PolarHBondContact O-N 3.45Å; S225-R227 VanDerWaalsContact C-N 3.27Å; S225-R227 PolarHBondContact O-N 2.9Å; S225-M228 PolarHBondContact O-N 3.15Å; S225-M228 VanDerWaalsContact O-N 3.1Å
226L56.6Low59.6Low126 Ų126125.5 Ų125.566%0.6665%0.653SS**Hα-helixtrans-67.4-24.8179-75164.8000113.5D222 M228D222-L226 WeakPolarHBondContact O-CB 3.49Å; D222-L226 WeakPolarHBondContact O-CG 3.33Å; D222-L226 PolarHBondContact O-N 3.28Å; L226-M228 VanDerWaalsContact C-N 3.31Å
227R54.1Low57.7Low221 Ų221128.9 Ų128.983%0.83467%0.668SS**Hα-helixtrans-76.9-16.2173.6-80.2-175.8180-163.90.5113.6A223 Q224 S225A223-R227 WeakPolarHBondContact O-CG 3.49Å; A223-R227 PolarHBondContact O-N 3.23Å; A223-R227 VanDerWaalsContact O-N 3.13Å; Q224-R227 PolarHBondContact O-N 3.14Å; S225-R227 VanDerWaalsContact C-N 3.27Å; S225-R227 PolarHBondContact O-N 2.9Å
228M52Low55.5Low154 Ų154129.6 Ų129.676%0.75968%0.676SS**Hα-helixtrans-89.2-12.9176.1-72.5-168.166.100113.7Q224 S225 L226Q224-M228 PolarHBondContact O-N 2.54Å; S225-M228 PolarHBondContact O-N 3.15Å; S225-M228 VanDerWaalsContact O-N 3.1Å; L226-M228 VanDerWaalsContact C-N 3.31Å
229D50.5Low53.4Low129 Ų129132.3 Ų132.369%0.6969%0.692SS**THydrogen-bonded Turntrans-94.216.2-178.3-78.2-10.4000114.3
230M47.5Very low51.2Low152 Ų152137.5 Ų137.575%0.74971%0.711SS**THydrogen-bonded Turntrans-103.30.1179.3-89-61-53.400115.9
231D41.8Very low49.2Very low141 Ų141139.2 Ų139.275%0.75472%0.721SS**SBendtrans-125128.5172.5-70.6-40.3000110.2
232D42.3Very low47.4Very low146 Ų146140.2 Ų140.278%0.78173%0.732SS**  trans70.7111.3177.2-56.9-32.3000114.5
233I41.5Very low45.7Very low140 Ų140145.4 Ų145.472%0.71874%0.744SS**  -153.6113.965.8-71.9146.7000108.3I235I233-I235 VanDerWaalsContact C-N 3.31Å; I233-I235 HydrophobicContact CG2-CG1 3.66Å; I233-I235 PolarHBondContact O-N 3.15Å
234L45.7Very low44.4Very low173 Ų173150 Ų15091%0.90677%0.767SS**  trans-5996.5153.7-86121000107.9H236L234-H236 PolarHBondContact O-N 2.72Å
235I42.2Very low43.1Very low147 Ų147149.7 Ų149.775%0.75477%0.766SS**  trans-70.6100171.6-63177.2000106.9I233I233-I235 VanDerWaalsContact C-N 3.31Å; I233-I235 HydrophobicContact CG2-CG1 3.66Å; I233-I235 PolarHBondContact O-N 3.15Å
236H41Very low42.1Very low153 Ų153151 Ų15171%0.70878%0.781SS**  trans-57.6125.8170-171.1-76000109L234 D238L234-H236 PolarHBondContact O-N 2.72Å; H236-D238 PolarHBondContact O-N 3.04Å; H236-D238 VanDerWaalsContact O-N 3.09Å
237P47.7Very low40.9Very low108 Ų108151.1 Ų151.170%0.70179%0.787SS**SBendtrans-82.194-175.532.3-29.2000108.3
238D40Very low40Very low138 Ų138152.4 Ų152.474%0.73879%0.792SS**  trans-163.923.5159.5-115.6-3.3000117.5H236H236-D238 PolarHBondContact O-N 3.04Å; H236-D238 VanDerWaalsContact O-N 3.09Å
239L38.3Very low39Very low181 Ų181154 Ų15495%0.94880%0.798SS**  trans-123.760.7171.8-65.7176.5000111.3
240L34.1Very low38.3Very low169 Ų169153.9 Ų153.989%0.88581%0.806SS**  trans-85.992.6153.9-78.4169000107.8
241E35.7Very low37.6Very low190 Ų190152.1 Ų152.189%0.88881%0.809SS**  trans-178.8148.1141.7-105.8165.8179.500113.1
242S36.8Very low37.3Very low114 Ų114150.8 Ų150.880%0.79781%0.811SS**  trans85.372.4172.874.30000118.9
243R32Very low36.8Very low206 Ų206150.8 Ų150.878%0.77781%0.811SS**  -12.3124.5128.9180-177.7-169.9177.22.8115.8E245R243-E245 IonicContact CZ-OE1 3.02Å; R243-E245 IonicContact NE-OE1 2.8Å; R243-E245 PolarHBondContact NE-OE1 3.19Å; R243-E245 IonicContact NH2-OE1 3.97Å; R243-E245 PolarHBondContact NH2-OE1 2.92Å
244V36.8Very low36.6Very low144 Ų144150.7 Ų150.787%0.87382%0.817SS**  trans-148.2126.2137.5-176.10000109.9
245E31Very low36Very low138 Ų138150.9 Ų150.965%0.64581%0.814SS**  trans-72.1138.5175.5-67.4151.8-164.700111.9R243R243-E245 IonicContact CZ-OE1 3.02Å; R243-E245 IonicContact NE-OE1 2.8Å; R243-E245 PolarHBondContact NE-OE1 3.19Å; R243-E245 IonicContact NH2-OE1 3.97Å; R243-E245 PolarHBondContact NH2-OE1 2.92Å
246A37Very low35.5Very low102 Ų102149.1 Ų149.184%0.84381%0.814SS**  trans-155.995.3156.900000112
247T31.1Very low35.3Very low127 Ų127148.9 Ų148.978%0.77982%0.823SS**  trans-55.2136.7160.4-30.20000110.9
248R35.1Very low34.6Very low248 Ų248146.8 Ų146.894%0.93682%0.821SS**  trans-171.3132.7135.9-105.5164.7-172.7-157.21.7113.9
249Q31.9Very low34.5Very low189 Ų189148 Ų14888%0.88383%0.828SS**  trans-63.9146.1175.8-64155.9-8.600111.5
250S35.8Very low34.7Very low125 Ų125150.3 Ų150.387%0.87482%0.824SS**  trans-139.1123.215359.50000110.3
251S31.2Very low34.9Very low116 Ų116148.6 Ų148.681%0.81182%0.815SS**  trans-81.5143.2177.247.40000111.1
252S36.3Very low35.3Very low113 Ų113145.7 Ų145.779%0.7981%0.81SS**  trans-138.5103.6158.261.50000110.5
253N32.3Very low35.5Very low146 Ų146150.7 Ų150.778%0.78181%0.812SS**  trans-62.7133.4163.6-80.6-10.1000109.9
254T36.8Very low36.1Very low138 Ų138145 Ų14585%0.84780%0.803SS**  trans-130.89915752.50000108
255E32.4Very low36.5Very low177 Ų177148.6 Ų148.683%0.82780%0.801SS**  trans-83.5131.8171.9-77.7-179.6145.100110.8
256S32.6Very low37.1Very low109 Ų109148.3 Ų148.376%0.76280%0.803SS**  54.698.9129.2-163.30000119.4
257V36.2Very low37.3Very low149 Ų149148.2 Ų148.290%0.90379%0.792SS**  trans-112.9111.3145.4174.80000106.9D259V257-D259 PolarHBondContact O-N 2.89Å
258G33.8Very low38.1Very low64 Ų64147.4 Ų147.466%0.6679%0.786SS**  trans-71.9114-173.600000112.9R260G258-R260 PolarHBondContact O-N 3.13Å
259D38Very low38.5Very low163 Ų163144.1 Ų144.187%0.87278%0.779SS**  trans-92.590.5166.5-16013.8000108.2V257 D261V257-D259 PolarHBondContact O-N 2.89Å; D259-D261 PolarHBondContact O-N 3.13Å
260R40.8Very low39.1Very low229 Ų229142.7 Ų142.786%0.86477%0.77SS**  trans-78106.8-179.7-82.4-176.1175.6177.9-0.3110.5G258G258-R260 PolarHBondContact O-N 3.13Å
261D39.1Very low39.5Very low133 Ų133143.4 Ų143.471%0.71176%0.764SS**  trans40.479.3137.6-81.4-38.2000118.5D259D259-D261 PolarHBondContact O-N 3.13Å
262V44.8Very low40Very low129 Ų129145.6 Ų145.678%0.78277%0.766SS**SBendtrans-89.3-9.5159.7177.60000111.9S264V262-S264 PolarHBondContact O-N 3.28Å
263R41.3Very low40.2Very low220 Ų220151.2 Ų151.283%0.8377%0.77SS**G310 helixtrans-81.3-8.8-173.2-77.9-174.5176.5173.41.1115.9
264S44.2Very low40.5Very low85 Ų85152.7 Ų152.759%0.59477%0.772SS**G310 helixtrans-84.7-4.2-176.734.70000115.2V262V262-S264 PolarHBondContact O-N 3.28Å
265R44.9Very low40.6Very low221 Ų221149.4 Ų149.483%0.83477%0.765SS**G310 helixtrans-91.3-14.8177-66.4-167-168.8-177.35.2115.7T267R265-T267 VanDerWaalsContact C-N 3.34Å; R265-T267 PolarHBondContact O-N 3.35Å
266I43Very low41Very low131 Ų131150.5 Ų150.567%0.67277%0.767SS**G310 helixtrans-82.2-9.7-173.4-71.5169.8000113.3V268I266-V268 PolarHBondContact O-N 3.26Å
267T41.1Very low41.3Very low101 Ų101151.5 Ų151.562%0.6277%0.774SS**G310 helixtrans-84.5-9.6-174.7-37.60000114.6R265 F269R265-T267 VanDerWaalsContact C-N 3.34Å; R265-T267 PolarHBondContact O-N 3.35Å; T267-F269 PolarHBondContact O-N 3Å
268V47.9Very low41.3Very low109 Ų109149.4 Ų149.466%0.66177%0.766SS**G310 helixtrans-76.5-23.7-176.7179.70000113.2I266I266-V268 PolarHBondContact O-N 3.26Å
269F43.2Very low41.6Very low180 Ų180156 Ų15679%0.78978%0.777SS**G310 helixtrans-99.5-1.6-172.6-72.2-77.5000116.3T267T267-F269 PolarHBondContact O-N 3Å
270K46.3Very low41.4Very low159 Ų159156.8 Ų156.869%0.69178%0.775SS**G310 helixtrans-82.3-15.7178.6-90.6-176.9175.8178.90114.8
271N42.7Very low41.5Very low140 Ų140158.4 Ų158.475%0.74979%0.793SS**G310 helixtrans-88.1-1.3-174.3-71.8-3.5000115
272L41.8Very low41.6Very low162 Ų162159.7 Ų159.785%0.84880%0.797SS**G310 helixtrans-92.3-4.8175.2-101.280.9000115
273R41.6Very low41.4Very low231 Ų231161.3 Ų161.387%0.87280%0.798SS**SBendtrans-100.87.9-174.4-126.8-177.6-165.7-156.93.7116.6
274H38.2Very low41.4Very low176 Ų176158.1 Ų158.182%0.81580%0.796SS**  trans-109.455.1175.7-68.385.8000111.6
275G39.3Very low41.3Very low69 Ų69162.4 Ų162.471%0.71181%0.808SS**  trans-98.680.9170.400000111.5
276K40.4Very low41Very low200 Ų200158.7 Ų158.787%0.8781%0.806SS**  trans42.993.5145.7-58.3178.4-179.7172.90118.1
277S38.5Very low40.9Very low130 Ų130160.5 Ų160.591%0.90982%0.815SS**  trans-12787146.7-113.80000108.2
278S37.4Very low40.9Very low106 Ų106164.8 Ų164.874%0.74183%0.829SS**  trans-171.8106.7171.145.50000111.5
279K39.1Very low40.3Very low201 Ų201169.1 Ų169.187%0.87484%0.842SS**  trans-170.398.4145.5-99.5178.5-177.6-170.30104.6
280Q33.6Very low40.1Very low181 Ų181168.2 Ų168.285%0.84685%0.846SS**  42.1119.376.4-71.3176.8-13.900109.9
281Q42.3Very low39.5Very low263 Ų263169 Ų169100%1.22986%0.86SS**  cis-162.1034.7-146.6167.78.600108.8

Retrieved 281 of 281 residues in 85.1 ms (Link to these results)

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