A0A087XTC4_POEFO Loading...

Fas (tnfrsf6)-associated via death domain

AlphaFold DB , UniProt , Accession A0A087XTC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 205 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
1A37.8Very low74.2Confident137 Ų13751.4 Ų51.4100%1.13235%0.354SS*.  0128000000108.8S3A1-S3 PolarHBondContact O-N 3.28Å
2S54.3Low75.2Confident52 Ų5248.2 Ų48.236%0.36433%0.332SS..  trans-61.6132.4-177.4-71.10000110.7F4 N5S2-F4 PolarHBondContact O-N 3.37Å; S2-N5 WeakPolarHBondContact O-CB 3.32Å; S2-N5 PolarHBondContact O-N 3.48Å
3S69.8Low76Confident84 Ų8454 Ų5459%0.58736%0.357SS*.Hα-helixtrans-50.8-25179.6-45.70000114A1 V7A1-S3 PolarHBondContact O-N 3.28Å; S3-V7 PolarHBondContact O-N 3.25Å
4F75.3Confident76.5Confident6 Ų656.4 Ų56.43%0.02636%0.363CS..Hα-helixtrans-62.7-44.8172.8-174.3-127.5000113.3S2 S6 V7 L8 L55 K57 A60 L79 W82S2-F4 PolarHBondContact O-N 3.37Å; F4-S6 PolarHBondContact O-N 3.02Å; F4-V7 PolarHBondContact O-N 3.48Å; F4-V7 VanDerWaalsContact O-N 3.08Å; F4-L8 HydrophobicContact CD1-CD1 3.84Å; F4-L8 HydrophobicContact CD1-CG 4.42Å; F4-L8 HydrophobicContact CD2-CG 4.47Å; F4-L8 HydrophobicContact CE1-CD1 3.57Å; F4-L8 HydrophobicContact CE1-CG 4.23Å; F4-L8 HydrophobicContact CE2-CD2 4.3Å; F4-L8 HydrophobicContact CE2-CG 4.32Å; F4-L8 HydrophobicContact CG-CD1 4.44Å; F4-L8 HydrophobicContact CZ-CD1 3.97Å; F4-L8 HydrophobicContact CZ-CD2 4.14Å; F4-L8 HydrophobicContact CZ-CG 4.2Å; F4-L8 WeakPolarHBondContact O-CG 3.14Å; F4-L8 PolarHBondContact O-N 3.42Å; F4-L55 HydrophobicContact CE1-CG 4.41Å; F4-L55 HydrophobicContact CZ-CG 4.22Å; F4-K57 HydrophobicContact CB-CG 4.14Å; F4-K57 HydrophobicContact CD1-CG 4.12Å; F4-K57 HydrophobicContact CG-CG 4.09Å; F4-A60 HydrophobicContact CE2-CB 4.08Å; F4-A60 HydrophobicContact CZ-CB 4.34Å; F4-L79 HydrophobicContact CE2-CD1 4.31Å; F4-W82 HydrophobicContact CB-CH2 3.45Å; F4-W82 VanDerWaalsContact CB-CH2 3.45Å; F4-W82 HydrophobicContact CB-CZ2 3.54Å; F4-W82 HydrophobicContact CB-CZ3 4.38Å; F4-W82 AromaticContact CD2-CE3 3.87Å; F4-W82 HydrophobicContact CD2-CE3 3.87Å; F4-W82 AromaticContact CD2-CH2 3.17Å; F4-W82 HydrophobicContact CD2-CH2 3.17Å; F4-W82 AromaticContact CD2-CZ2 3.81Å; F4-W82 HydrophobicContact CD2-CZ2 3.81Å; F4-W82 AromaticContact CD2-CZ3 3.19Å; F4-W82 HydrophobicContact CD2-CZ3 3.19Å; F4-W82 HydrophobicContact CE2-CE3 4.3Å; F4-W82 HydrophobicContact CE2-CH2 4.12Å; F4-W82 AromaticContact CE2-CZ3 3.71Å; F4-W82 HydrophobicContact CE2-CZ3 3.71Å; F4-W82 AromaticContact CG-CH2 3.66Å; F4-W82 HydrophobicContact CG-CH2 3.66Å; F4-W82 HydrophobicContact CG-CZ2 4.16Å; F4-W82 HydrophobicContact CG-CZ3 4.13Å
5N78.4Confident77Confident74 Ų7454.1 Ų54.140%0.39635%0.346SS..Hα-helixtrans-65.5-32.7-178.5-64.10.2000110.9S2 V7 L8 L9S2-N5 WeakPolarHBondContact O-CB 3.32Å; S2-N5 PolarHBondContact O-N 3.48Å; N5-V7 VanDerWaalsContact C-N 3.35Å; N5-L8 PolarHBondContact O-N 2.92Å; N5-L9 WeakPolarHBondContact O-CB 3.46Å; N5-L9 PolarHBondContact O-N 3.08Å
6S80.4Confident77.5Confident73 Ų7360 Ų6051%0.5137%0.365SS..Hα-helixtrans-65.3-37.9173.9-550000112.2F4 G10F4-S6 PolarHBondContact O-N 3.02Å; S6-G10 PolarHBondContact O-N 3.06Å
7V82.6Confident77.8Confident31 Ų3165.6 Ų65.619%0.18839%0.386CS..Hα-helixtrans-70.8-42.7174.7172.70000111.5S3 F4 N5 L9 G10 I11 L79 W82S3-V7 PolarHBondContact O-N 3.25Å; F4-V7 PolarHBondContact O-N 3.48Å; F4-V7 VanDerWaalsContact O-N 3.08Å; N5-V7 VanDerWaalsContact C-N 3.35Å; V7-L9 VanDerWaalsContact C-N 3.27Å; V7-L9 PolarHBondContact O-N 3.42Å; V7-G10 PolarHBondContact O-N 3.28Å; V7-G10 VanDerWaalsContact O-N 3.13Å; V7-I11 HydrophobicContact CG1-CD1 3.83Å; V7-I11 HydrophobicContact CG1-CG1 4.36Å; V7-I11 WeakPolarHBondContact O-CG1 3.36Å; V7-I11 PolarHBondContact O-N 3.05Å; V7-L79 HydrophobicContact CG1-CD1 4.08Å; V7-W82 HydrophobicContact CB-CD2 4.43Å; V7-W82 HydrophobicContact CB-CG 4.24Å; V7-W82 HydrophobicContact CG1-CB 4.24Å; V7-W82 HydrophobicContact CG1-CG 4.15Å; V7-W82 HydrophobicContact CG2-CB 4.32Å; V7-W82 HydrophobicContact CG2-CD2 4.15Å; V7-W82 HydrophobicContact CG2-CG 3.64Å
8L83.8Confident78.2Confident5 Ų569.7 Ų69.73%0.02640%0.401CS..Hα-helixtrans-59.1-39.9173.8-68.3178.7000112F4 N5 I11 S12 F46 L55 L63F4-L8 HydrophobicContact CD1-CD1 3.84Å; F4-L8 HydrophobicContact CD1-CG 4.42Å; F4-L8 HydrophobicContact CD2-CG 4.47Å; F4-L8 HydrophobicContact CE1-CD1 3.57Å; F4-L8 HydrophobicContact CE1-CG 4.23Å; F4-L8 HydrophobicContact CE2-CD2 4.3Å; F4-L8 HydrophobicContact CE2-CG 4.32Å; F4-L8 HydrophobicContact CG-CD1 4.44Å; F4-L8 HydrophobicContact CZ-CD1 3.97Å; F4-L8 HydrophobicContact CZ-CD2 4.14Å; F4-L8 HydrophobicContact CZ-CG 4.2Å; F4-L8 WeakPolarHBondContact O-CG 3.14Å; F4-L8 PolarHBondContact O-N 3.42Å; N5-L8 PolarHBondContact O-N 2.92Å; L8-I11 PolarHBondContact O-N 3.42Å; L8-S12 WeakPolarHBondContact O-CB 3.49Å; L8-S12 PolarHBondContact O-N 3.25Å; L8-F46 HydrophobicContact CB-CD2 4.16Å; L8-F46 HydrophobicContact CD1-CB 4.39Å; L8-F46 HydrophobicContact CD2-CD2 4.17Å; L8-F46 HydrophobicContact CD2-CG 4.37Å; L8-L55 HydrophobicContact CD1-CD2 3.78Å; L8-L55 HydrophobicContact CD2-CD2 3.9Å; L8-L63 HydrophobicContact CD2-CD2 3.37Å
9L84.3Confident78.5Confident79 Ų7966.9 Ų66.941%0.41438%0.384SS..Hα-helixtrans-64.5-44.6174.4-163.482.9000111.1N5 V7 I11 S12 N13 H43N5-L9 WeakPolarHBondContact O-CB 3.46Å; N5-L9 PolarHBondContact O-N 3.08Å; V7-L9 VanDerWaalsContact C-N 3.27Å; V7-L9 PolarHBondContact O-N 3.42Å; L9-I11 VanDerWaalsContact C-N 3.32Å; L9-I11 PolarHBondContact O-N 2.72Å; L9-S12 WeakPolarHBondContact O-CB 3.35Å; L9-S12 PolarHBondContact O-N 3.18Å; L9-N13 VanDerWaalsContact O-CG 3.29Å; L9-N13 PolarHBondContact O-N 3.3Å; L9-H43 HydrophobicContact CD1-CB 4.48Å
10G84.3Confident78.8Confident24 Ų2464.3 Ų64.325%0.24737%0.369CS..Hα-helixtrans-60.4-40.1175.500000113S6 V7 N13 M14S6-G10 PolarHBondContact O-N 3.06Å; V7-G10 PolarHBondContact O-N 3.28Å; V7-G10 VanDerWaalsContact O-N 3.13Å; G10-N13 PolarHBondContact O-N 3.43Å; G10-M14 WeakPolarHBondContact O-CG 3.45Å; G10-M14 PolarHBondContact O-N 3.21Å
11I85.3Confident79.1Confident0 Ų067.1 Ų67.10%038%0.379CS..Hα-helixtrans-67.5-43.9174.6-67.7168.6000110.2V7 L8 L9 N13 M14 L15 F46 L67 L75 L79V7-I11 HydrophobicContact CG1-CD1 3.83Å; V7-I11 HydrophobicContact CG1-CG1 4.36Å; V7-I11 WeakPolarHBondContact O-CG1 3.36Å; V7-I11 PolarHBondContact O-N 3.05Å; L8-I11 PolarHBondContact O-N 3.42Å; L9-I11 VanDerWaalsContact C-N 3.32Å; L9-I11 PolarHBondContact O-N 2.72Å; I11-N13 VanDerWaalsContact C-N 3.27Å; I11-N13 PolarHBondContact O-N 3.1Å; I11-M14 CarbonylContact O-C 3.4Å; I11-M14 PolarHBondContact O-N 2.73Å; I11-L15 HydrophobicContact CG2-CD1 4.39Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 2.98Å; I11-L15 VanDerWaalsContact O-N 3.1Å; I11-F46 HydrophobicContact CB-CE2 4.34Å; I11-F46 HydrophobicContact CG2-CE2 3.92Å; I11-F46 HydrophobicContact CG2-CZ 3.98Å; I11-L67 HydrophobicContact CG2-CD1 4.22Å; I11-L67 HydrophobicContact CG2-CD2 4.12Å; I11-L75 HydrophobicContact CG2-CB 4.42Å; I11-L75 HydrophobicContact CG2-CD1 4.24Å; I11-L79 HydrophobicContact CD1-CB 3.86Å; I11-L79 HydrophobicContact CD1-CD1 3.78Å; I11-L79 HydrophobicContact CD1-CD2 4.43Å; I11-L79 HydrophobicContact CD1-CG 4.24Å
12S85.8Confident81.3Confident13 Ų1365 Ų659%0.09135%0.346CS..Hα-helixtrans-57.8-39.4176.1179.60000112.3L8 L9 M14 L15 H43L8-S12 WeakPolarHBondContact O-CB 3.49Å; L8-S12 PolarHBondContact O-N 3.25Å; L9-S12 WeakPolarHBondContact O-CB 3.35Å; L9-S12 PolarHBondContact O-N 3.18Å; S12-M14 PolarHBondContact O-N 3.13Å; S12-L15 PolarHBondContact O-N 2.99Å; S12-H43 PolarHBondContact OG-N 3.02Å
13N85.8Confident82.8Confident124 Ų12462.5 Ų62.566%0.66333%0.328SS*.Hα-helixtrans-71.5-21.5179-69-14.2000112.8L9 G10 I11L9-N13 VanDerWaalsContact O-CG 3.29Å; L9-N13 PolarHBondContact O-N 3.3Å; G10-N13 PolarHBondContact O-N 3.43Å; I11-N13 VanDerWaalsContact C-N 3.27Å; I11-N13 PolarHBondContact O-N 3.1Å
14M84Confident83.5Confident88 Ų8860.9 Ų60.943%0.43331%0.311SS..THydrogen-bonded Turntrans-96.81176.7-64.5-168.979.900113.3G10 I11 S12 R72 L75G10-M14 WeakPolarHBondContact O-CG 3.45Å; G10-M14 PolarHBondContact O-N 3.21Å; I11-M14 CarbonylContact O-C 3.4Å; I11-M14 PolarHBondContact O-N 2.73Å; S12-M14 PolarHBondContact O-N 3.13Å; M14-R72 PolarHBondContact O-NH2 3.36Å; M14-L75 HydrophobicContact CB-CD1 4.35Å; M14-L75 HydrophobicContact CB-CD2 3.64Å; M14-L75 HydrophobicContact CE-CD2 4.49Å; M14-L75 HydrophobicContact CG-CD2 4.34Å; M14-L75 HydrophobicContact SD-CD2 3.89Å
15L83.7Confident83.9Confident22 Ų2267.2 Ų67.212%0.11534%0.338CS..  trans-86.8126.1171.8-79.1169.6000109.2I11 S12 N19 L23 F46 L67 L75I11-L15 HydrophobicContact CG2-CD1 4.39Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 2.98Å; I11-L15 VanDerWaalsContact O-N 3.1Å; S12-L15 PolarHBondContact O-N 2.99Å; L15-N19 HydrophobicContact CD2-CB 3.61Å; L15-L23 HydrophobicContact CD1-CD1 3.7Å; L15-L23 HydrophobicContact CD2-CD1 3.95Å; L15-F46 HydrophobicContact CD1-CE1 4.48Å; L15-F46 HydrophobicContact CD1-CE2 4.05Å; L15-F46 HydrophobicContact CD1-CZ 3.55Å; L15-L67 HydrophobicContact CD2-CD2 4.24Å; L15-L75 HydrophobicContact CD2-CD1 3.97Å; L15-L75 HydrophobicContact CG-CD1 4.16Å
16K83.9Confident84.1Confident148 Ų14866.2 Ų66.264%0.64333%0.333SS*.  trans-81.5165169.6-63.1-176179.7-178.80110.2E18 N19 L20K16-E18 VanDerWaalsContact C-N 3.31Å; K16-E18 PolarHBondContact O-N 3Å; K16-N19 WeakPolarHBondContact O-CB 3.19Å; K16-N19 PolarHBondContact O-N 2.97Å; K16-N19 VanDerWaalsContact O-N 3.13Å; K16-L20 PolarHBondContact O-N 2.96Å
17E83.7Confident84.2Confident156 Ų15662.7 Ų62.773%0.72931%0.308SS*.Hα-helixtrans-57.9-43178.8-167.4164.7-159.400112.2N19 L20 E21E17-N19 VanDerWaalsContact C-N 3.32Å; E17-N19 PolarHBondContact O-N 2.86Å; E17-L20 WeakPolarHBondContact O-CB 3.36Å; E17-L20 PolarHBondContact O-N 3.47Å; E17-E21 PolarHBondContact O-N 2.95Å
18E84Confident84.1Confident138 Ų13866 Ų6665%0.64532%0.317SS*.Hα-helixtrans-55.1-45.7174-64170.2-17600112.2K16 L20 E21 Q22K16-E18 VanDerWaalsContact C-N 3.31Å; K16-E18 PolarHBondContact O-N 3Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.38Å; E18-E21 PolarHBondContact O-N 3.34Å; E18-Q22 WeakPolarHBondContact O-CG 3.28Å; E18-Q22 PolarHBondContact O-N 2.94Å; E18-Q22 VanDerWaalsContact O-N 3.11Å
19N83.8Confident83.7Confident17 Ų1772.4 Ų72.49%0.09135%0.351CS..Hα-helixtrans-67-35.9179.1-58.9-4.4000111.2L15 K16 E17 Q22 L23 V70 R72L15-N19 HydrophobicContact CD2-CB 3.61Å; K16-N19 WeakPolarHBondContact O-CB 3.19Å; K16-N19 PolarHBondContact O-N 2.97Å; K16-N19 VanDerWaalsContact O-N 3.13Å; E17-N19 VanDerWaalsContact C-N 3.32Å; E17-N19 PolarHBondContact O-N 2.86Å; N19-Q22 PolarHBondContact O-N 2.91Å; N19-L23 WeakPolarHBondContact O-CB 3.46Å; N19-L23 VanDerWaalsContact O-CG 3.32Å; N19-L23 WeakPolarHBondContact O-CG 3.07Å; N19-L23 PolarHBondContact O-N 3.41Å; N19-V70 HydrophobicContact CB-CG1 3.53Å; N19-R72 WeakPolarHBondContact ND2-CD 3.43Å; N19-R72 WeakPolarHBondContact ND2-CG 3.26Å
20L85.6Confident83.1Confident15 Ų1573 Ų738%0.07935%0.352CS..Hα-helixtrans-67-40.7177.8-176.863.6000111.2K16 E17 E18 L23 K24 L45K16-L20 PolarHBondContact O-N 2.96Å; E17-L20 WeakPolarHBondContact O-CB 3.36Å; E17-L20 PolarHBondContact O-N 3.47Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.38Å; L20-L23 PolarHBondContact O-N 3.01Å; L20-K24 VanDerWaalsContact O-CG 3.28Å; L20-K24 WeakPolarHBondContact O-CG 3.35Å; L20-K24 PolarHBondContact O-N 3.15Å; L20-L45 HydrophobicContact CD1-CD2 4.32Å
21E84.1Confident82.5Confident123 Ų12371.9 Ų71.958%0.57534%0.34SS*.Hα-helixtrans-64.2-42.5175.6-70.2-170.6162.700112.1E17 E18 K24 F25E17-E21 PolarHBondContact O-N 2.95Å; E18-E21 PolarHBondContact O-N 3.34Å; E21-K24 WeakPolarHBondContact O-CB 3.43Å; E21-K24 PolarHBondContact O-N 2.87Å; E21-F25 PolarHBondContact O-N 2.96Å
22Q85.2Confident82.1Confident93 Ų9373.9 Ų73.944%0.43536%0.361SS..Hα-helixtrans-62.1-45174.3-68.1179.42.300111.5E18 N19 K24 F25 L26 V70E18-Q22 WeakPolarHBondContact O-CG 3.28Å; E18-Q22 PolarHBondContact O-N 2.94Å; E18-Q22 VanDerWaalsContact O-N 3.11Å; N19-Q22 PolarHBondContact O-N 2.91Å; Q22-K24 VanDerWaalsContact C-N 3.31Å; Q22-K24 PolarHBondContact O-N 2.71Å; Q22-F25 WeakPolarHBondContact O-CB 3.4Å; Q22-F25 PolarHBondContact O-N 3.15Å; Q22-F25 VanDerWaalsContact O-N 3.1Å; Q22-L26 WeakPolarHBondContact O-CG 3.34Å; Q22-L26 PolarHBondContact O-N 3.31Å; Q22-V70 HydrophobicContact CB-CG1 4.25Å; Q22-V70 HydrophobicContact CB-CG2 3.84Å
23L85.1Confident81.5Confident0 Ų079.3 Ų79.30%038%0.383CS..Hα-helixtrans-58.6-43174.2-76.3173.9000111.8L15 N19 L20 F25 L26 V27 L45 F46 L66 V70L15-L23 HydrophobicContact CD1-CD1 3.7Å; L15-L23 HydrophobicContact CD2-CD1 3.95Å; N19-L23 WeakPolarHBondContact O-CB 3.46Å; N19-L23 VanDerWaalsContact O-CG 3.32Å; N19-L23 WeakPolarHBondContact O-CG 3.07Å; N19-L23 PolarHBondContact O-N 3.41Å; L20-L23 PolarHBondContact O-N 3.01Å; L23-F25 VanDerWaalsContact C-N 3.25Å; L23-F25 PolarHBondContact O-N 3.35Å; L23-L26 PolarHBondContact O-N 3.4Å; L23-V27 WeakPolarHBondContact O-CG2 3.43Å; L23-V27 PolarHBondContact O-N 3.16Å; L23-L45 HydrophobicContact CB-CD2 3.69Å; L23-L45 HydrophobicContact CD1-CD2 4.29Å; L23-F46 HydrophobicContact CD1-CE1 4.44Å; L23-L66 HydrophobicContact CD2-CB 3.77Å; L23-V70 HydrophobicContact CD2-CG2 3.78Å; L23-V70 HydrophobicContact CG-CG2 3.9Å
24K85.3Confident81.1Confident50 Ų5081.4 Ų81.422%0.21739%0.389CS..Hα-helixtrans-60.4-36.5176.4-75.2174.2176.3-179.60111.9L20 E21 Q22 R28 L36 I39L20-K24 VanDerWaalsContact O-CG 3.28Å; L20-K24 WeakPolarHBondContact O-CG 3.35Å; L20-K24 PolarHBondContact O-N 3.15Å; E21-K24 WeakPolarHBondContact O-CB 3.43Å; E21-K24 PolarHBondContact O-N 2.87Å; Q22-K24 VanDerWaalsContact C-N 3.31Å; Q22-K24 PolarHBondContact O-N 2.71Å; K24-R28 PolarHBondContact O-N 3.49Å; K24-R28 VanDerWaalsContact O-N 3.13Å; K24-L36 HydrophobicContact CB-CD2 3.92Å; K24-L36 HydrophobicContact CG-CD2 3.76Å; K24-L36 WeakPolarHBondContact O-CD1 3.45Å; K24-I39 WeakPolarHBondContact CE-O 3.36Å; K24-I39 PolarHBondContact NZ-O 3.06Å
25F83.8Confident80.8Confident138 Ų13882 Ų8261%0.60539%0.389SS*.Hα-helixtrans-67-46.7176.7-166.8-92.7000111.5E21 Q22 L23 V27 R28E21-F25 PolarHBondContact O-N 2.96Å; Q22-F25 WeakPolarHBondContact O-CB 3.4Å; Q22-F25 PolarHBondContact O-N 3.15Å; Q22-F25 VanDerWaalsContact O-N 3.1Å; L23-F25 VanDerWaalsContact C-N 3.25Å; L23-F25 PolarHBondContact O-N 3.35Å; F25-V27 VanDerWaalsContact C-N 3.3Å; F25-V27 PolarHBondContact O-N 3.25Å; F25-R28 WeakPolarHBondContact O-CB 3.45Å; F25-R28 WeakPolarHBondContact O-CG 3.45Å; F25-R28 PolarHBondContact O-N 3.43Å
26L82.6Confident80.6Confident53 Ų5381.6 Ų81.628%0.27739%0.387SS..Hα-helixtrans-63-36.4-180-65.6172.2000112.7Q22 L23 L66 Q69 V70Q22-L26 WeakPolarHBondContact O-CG 3.34Å; Q22-L26 PolarHBondContact O-N 3.31Å; L23-L26 PolarHBondContact O-N 3.4Å; L26-L66 HydrophobicContact CB-CD2 3.82Å; L26-L66 HydrophobicContact CD1-CD2 4.14Å; L26-Q69 HydrophobicContact CD1-CB 3.64Å; L26-Q69 VanDerWaalsContact CD2-OE1 3.22Å; L26-V70 HydrophobicContact CD1-CG2 3.74Å
27V82.4Confident80.3Confident0 Ų082 Ų820%039%0.391CS..THydrogen-bonded Turntrans-90.92.2179.2-59.60000113.4L23 F25 D29 H30 I31 L36 L45 L49 L66L23-V27 WeakPolarHBondContact O-CG2 3.43Å; L23-V27 PolarHBondContact O-N 3.16Å; F25-V27 VanDerWaalsContact C-N 3.3Å; F25-V27 PolarHBondContact O-N 3.25Å; V27-D29 PolarHBondContact O-N 3.01Å; V27-H30 CarbonylContact O-C 3.56Å; V27-H30 PolarHBondContact O-N 3.38Å; V27-I31 HydrophobicContact CB-CD1 4.19Å; V27-I31 HydrophobicContact CB-CG1 4.36Å; V27-I31 HydrophobicContact CG2-CD1 4.1Å; V27-I31 PolarHBondContact O-N 3.27Å; V27-L36 HydrophobicContact CG2-CD2 3.68Å; V27-L45 HydrophobicContact CG2-CD1 3.7Å; V27-L45 HydrophobicContact CG2-CD2 4.47Å; V27-L49 HydrophobicContact CG1-CD1 4.37Å; V27-L49 HydrophobicContact CG1-CD2 4.28Å; V27-L66 HydrophobicContact CG1-CD1 3.86Å; V27-L66 HydrophobicContact CG1-CD2 4.17Å
28R79.8Confident80.2Confident101 Ų10184.6 Ų84.638%0.38139%0.394SS..THydrogen-bonded Turntrans-62.2-31.3-177.787.5-179.5-91.7-171.4-13114.1K24 F25 H30 I31 L36K24-R28 PolarHBondContact O-N 3.49Å; K24-R28 VanDerWaalsContact O-N 3.13Å; F25-R28 WeakPolarHBondContact O-CB 3.45Å; F25-R28 WeakPolarHBondContact O-CG 3.45Å; F25-R28 PolarHBondContact O-N 3.43Å; R28-H30 PolarHBondContact O-N 3.3Å; R28-I31 VanDerWaalsContact O-O 3.12Å; R28-L36 HydrophobicContact CB-CD1 3.78Å
29D75.7Confident80.1Confident138 Ų13878.1 Ų78.174%0.73836%0.364SS*.THydrogen-bonded Turntrans-74.1-21.7178.1-63.2-43.8000111.4V27V27-D29 PolarHBondContact O-N 3.01Å
30H70.9Confident79.9Confident93 Ų9385.6 Ų85.643%0.43140%0.395SS..THydrogen-bonded Turntrans-102.2-31-177.6-62.376.9000112.6V27 R28V27-H30 CarbonylContact O-C 3.56Å; V27-H30 PolarHBondContact O-N 3.38Å; R28-H30 PolarHBondContact O-N 3.3Å
31I72.5Confident79.7Confident0 Ų087.8 Ų87.80%041%0.409CS..SBendtrans-120.3104.8-179.1-58.3-177.9000107.1V27 R28 K35 L36 L45 I48 L49V27-I31 HydrophobicContact CB-CD1 4.19Å; V27-I31 HydrophobicContact CB-CG1 4.36Å; V27-I31 HydrophobicContact CG2-CD1 4.1Å; V27-I31 PolarHBondContact O-N 3.27Å; R28-I31 VanDerWaalsContact O-O 3.12Å; I31-K35 HydrophobicContact CG2-CB 3.79Å; I31-L36 HydrophobicContact CB-CD1 4.44Å; I31-L36 HydrophobicContact CB-CD2 4.34Å; I31-L36 HydrophobicContact CB-CG 4.17Å; I31-L36 HydrophobicContact CG2-CD2 4.13Å; I31-L36 HydrophobicContact CG2-CG 3.85Å; I31-L36 WeakPolarHBondContact O-CD1 3.41Å; I31-L45 HydrophobicContact CD1-CD1 3.82Å; I31-I48 HydrophobicContact CD1-CG2 3.85Å; I31-I48 HydrophobicContact CG1-CG2 4.35Å; I31-I48 HydrophobicContact CG2-CG2 4.24Å; I31-L49 HydrophobicContact CD1-CD2 3.59Å; I31-L49 HydrophobicContact CD1-CG 3.82Å; I31-L49 HydrophobicContact CG1-CD2 4.24Å
32G75.7Confident79.7Confident42 Ų4282.1 Ų82.143%0.43338%0.384SS..  trans-52.1144.8-179.200000113.7Q34 K35 L36G32-Q34 VanDerWaalsContact C-N 3.28Å; G32-Q34 PolarHBondContact O-N 3.23Å; G32-Q34 VanDerWaalsContact O-N 3.08Å; G32-K35 PolarHBondContact O-N 2.9Å; G32-L36 PolarHBondContact O-N 3.39Å
33K74.9Confident79.6Confident127 Ų12780.6 Ų80.655%0.55238%0.377SS*.Hα-helixtrans-45.4-43.6-172.1-71.9-177175.3-177.70114.9K35 L36 E37K33-K35 VanDerWaalsContact C-N 3.28Å; K33-K35 PolarHBondContact O-N 3.38Å; K33-L36 PolarHBondContact O-N 3.5Å; K33-E37 PolarHBondContact O-N 3.11Å
34Q77.1Confident79.7Confident168 Ų16884 Ų8479%0.78539%0.393SS*.Hα-helixtrans-57.9-35.8179-82.1-178.5-14.400113.9G32G32-Q34 VanDerWaalsContact C-N 3.28Å; G32-Q34 PolarHBondContact O-N 3.23Å; G32-Q34 VanDerWaalsContact O-N 3.08Å
35K76.6Confident79.6Confident99 Ų9981.7 Ų81.743%0.4338%0.383SS..Hα-helixtrans-76.5-35.5176.7-72.7-162.7-178.5-172.40111I31 G32 K33 R38 I39I31-K35 HydrophobicContact CG2-CB 3.79Å; G32-K35 PolarHBondContact O-N 2.9Å; K33-K35 VanDerWaalsContact C-N 3.28Å; K33-K35 PolarHBondContact O-N 3.38Å; K35-R38 PolarHBondContact O-N 3.35Å; K35-I39 WeakPolarHBondContact O-CG1 3.33Å; K35-I39 PolarHBondContact O-N 2.96Å
36L79.6Confident79.7Confident15 Ų1575.2 Ų75.28%0.07935%0.354CS..Hα-helixtrans-66.4-35.9178.2-76.1168.9000113.4K24 V27 R28 I31 G32 K33 R38 I39 L45K24-L36 HydrophobicContact CB-CD2 3.92Å; K24-L36 HydrophobicContact CG-CD2 3.76Å; K24-L36 WeakPolarHBondContact O-CD1 3.45Å; V27-L36 HydrophobicContact CG2-CD2 3.68Å; R28-L36 HydrophobicContact CB-CD1 3.78Å; I31-L36 HydrophobicContact CB-CD1 4.44Å; I31-L36 HydrophobicContact CB-CD2 4.34Å; I31-L36 HydrophobicContact CB-CG 4.17Å; I31-L36 HydrophobicContact CG2-CD2 4.13Å; I31-L36 HydrophobicContact CG2-CG 3.85Å; I31-L36 WeakPolarHBondContact O-CD1 3.41Å; G32-L36 PolarHBondContact O-N 3.39Å; K33-L36 PolarHBondContact O-N 3.5Å; L36-R38 PolarHBondContact O-N 2.95Å; L36-I39 HydrophobicContact CD2-CD1 3.97Å; L36-I39 PolarHBondContact O-N 3.44Å; L36-L45 HydrophobicContact CD2-CD1 3.96Å
37E77.9Confident79.8Confident155 Ų15577.3 Ų77.372%0.72436%0.363SS*.Hα-helixtrans-64.3-29.3175.8-74.1173.1-174.500112.6K33K33-E37 PolarHBondContact O-N 3.11Å
38R81.9Confident79.8Confident212 Ų21278.6 Ų78.680%0.837%0.37SS*.Hα-helixtrans-78.4-19.4177.1-76.5-179.6155-178.7-5.5113.7K35 L36 K40K35-R38 PolarHBondContact O-N 3.35Å; L36-R38 PolarHBondContact O-N 2.95Å; R38-K40 PolarHBondContact O-N 3.34Å
39I81.4Confident80Confident2 Ų273.9 Ų73.91%0.0135%0.352CS..  trans-79.1117.3-175.4-67.5166.2000109.6K24 K35 L36 T41 Q44 L45 I48K24-I39 WeakPolarHBondContact CE-O 3.36Å; K24-I39 PolarHBondContact NZ-O 3.06Å; K35-I39 WeakPolarHBondContact O-CG1 3.33Å; K35-I39 PolarHBondContact O-N 2.96Å; L36-I39 HydrophobicContact CD2-CD1 3.97Å; L36-I39 PolarHBondContact O-N 3.44Å; I39-T41 VanDerWaalsContact CG2-O 3.3Å; I39-T41 WeakPolarHBondContact CG2-O 3.36Å; I39-Q44 HydrophobicContact CG1-CB 4.43Å; I39-Q44 HydrophobicContact CG2-CB 4.1Å; I39-L45 HydrophobicContact CD1-CB 4.41Å; I39-L45 HydrophobicContact CD1-CD1 3.67Å; I39-L45 HydrophobicContact CG2-CB 3.97Å; I39-I48 HydrophobicContact CD1-CD1 3.52Å; I39-I48 HydrophobicContact CG1-CD1 3.64Å
40K79Confident80.3Confident173 Ų17369.9 Ų69.975%0.75233%0.332SS*.  trans-104.2-18.3177.3-62.9-172.1179.9-174.90113.5R38R38-K40 PolarHBondContact O-N 3.34Å
41T82.9Confident80.8Confident61 Ų6172.1 Ų72.137%0.37434%0.343SS..SBendtrans-133.1153.9-176.4640000111.5I39 H43 Q44 L45I39-T41 VanDerWaalsContact CG2-O 3.3Å; I39-T41 WeakPolarHBondContact CG2-O 3.36Å; T41-H43 PolarHBondContact O-N 3.04Å; T41-Q44 PolarHBondContact O-N 3.21Å; T41-Q44 WeakPolarHBondContact OG1-CG 3.41Å; T41-Q44 PolarHBondContact OG1-N 3.14Å; T41-L45 PolarHBondContact O-N 3.32Å
42G83.4Confident81Confident4 Ų477.6 Ų77.64%0.04136%0.364CS..Hα-helixtrans-58.8-33.4174.500000112.7Q44 L45 F46G42-Q44 PolarHBondContact O-N 2.84Å; G42-L45 WeakPolarHBondContact O-CB 3.48Å; G42-L45 PolarHBondContact O-N 3.41Å; G42-L45 VanDerWaalsContact O-N 3.16Å; G42-F46 WeakPolarHBondContact O-CD2 3.22Å; G42-F46 WeakPolarHBondContact O-CG 3.32Å; G42-F46 PolarHBondContact O-N 3.24Å
43H84.2Confident80.9Confident61 Ų6177.2 Ų77.228%0.28236%0.36SS..Hα-helixtrans-61.1-46.2176.8-173.665.8000112.4L9 S12 T41 L45 F46 E47L9-H43 HydrophobicContact CD1-CB 4.48Å; S12-H43 PolarHBondContact OG-N 3.02Å; T41-H43 PolarHBondContact O-N 3.04Å; H43-L45 PolarHBondContact O-N 3.24Å; H43-F46 PolarHBondContact O-N 3.02Å; H43-F46 VanDerWaalsContact O-N 3.15Å; H43-E47 WeakPolarHBondContact O-CB 3.32Å; H43-E47 PolarHBondContact O-N 3.07Å
44Q85.3Confident80.9Confident72 Ų7274.7 Ų74.734%0.33635%0.35SS..Hα-helixtrans-61.3-35.8175.7-74.9174-3.900111.8I39 T41 G42 I48I39-Q44 HydrophobicContact CG1-CB 4.43Å; I39-Q44 HydrophobicContact CG2-CB 4.1Å; T41-Q44 PolarHBondContact O-N 3.21Å; T41-Q44 WeakPolarHBondContact OG1-CG 3.41Å; T41-Q44 PolarHBondContact OG1-N 3.14Å; G42-Q44 PolarHBondContact O-N 2.84Å; Q44-I48 WeakPolarHBondContact O-CD1 3.47Å; Q44-I48 WeakPolarHBondContact O-CG1 3.5Å; Q44-I48 PolarHBondContact O-N 2.89Å; Q44-I48 VanDerWaalsContact O-N 3.15Å
45L84.9Confident80.9Confident1 Ų166.8 Ų66.81%0.00531%0.313CS..Hα-helixtrans-63.3-47.3173.9-17565.2000111.6L20 L23 V27 I31 L36 I39 T41 G42 H43 E47 I48 L49L20-L45 HydrophobicContact CD1-CD2 4.32Å; L23-L45 HydrophobicContact CB-CD2 3.69Å; L23-L45 HydrophobicContact CD1-CD2 4.29Å; V27-L45 HydrophobicContact CG2-CD1 3.7Å; V27-L45 HydrophobicContact CG2-CD2 4.47Å; I31-L45 HydrophobicContact CD1-CD1 3.82Å; L36-L45 HydrophobicContact CD2-CD1 3.96Å; I39-L45 HydrophobicContact CD1-CB 4.41Å; I39-L45 HydrophobicContact CD1-CD1 3.67Å; I39-L45 HydrophobicContact CG2-CB 3.97Å; T41-L45 PolarHBondContact O-N 3.32Å; G42-L45 WeakPolarHBondContact O-CB 3.48Å; G42-L45 PolarHBondContact O-N 3.41Å; G42-L45 VanDerWaalsContact O-N 3.16Å; H43-L45 PolarHBondContact O-N 3.24Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-I48 PolarHBondContact O-N 3.4Å; L45-L49 HydrophobicContact CG-CD1 4.23Å; L45-L49 WeakPolarHBondContact O-CG 3.37Å; L45-L49 PolarHBondContact O-N 3.48Å
46F85Confident80.7Confident2 Ų263 Ų631%0.00930%0.302CS..Hα-helixtrans-66.4-36.3180-60-26.6000112.6L8 I11 L15 L23 G42 H43 L49 T50 L55 L63L8-F46 HydrophobicContact CB-CD2 4.16Å; L8-F46 HydrophobicContact CD1-CB 4.39Å; L8-F46 HydrophobicContact CD2-CD2 4.17Å; L8-F46 HydrophobicContact CD2-CG 4.37Å; I11-F46 HydrophobicContact CB-CE2 4.34Å; I11-F46 HydrophobicContact CG2-CE2 3.92Å; I11-F46 HydrophobicContact CG2-CZ 3.98Å; L15-F46 HydrophobicContact CD1-CE1 4.48Å; L15-F46 HydrophobicContact CD1-CE2 4.05Å; L15-F46 HydrophobicContact CD1-CZ 3.55Å; L23-F46 HydrophobicContact CD1-CE1 4.44Å; G42-F46 WeakPolarHBondContact O-CD2 3.22Å; G42-F46 WeakPolarHBondContact O-CG 3.32Å; G42-F46 PolarHBondContact O-N 3.24Å; H43-F46 PolarHBondContact O-N 3.02Å; H43-F46 VanDerWaalsContact O-N 3.15Å; F46-L49 HydrophobicContact CD1-CD1 4.44Å; F46-L49 PolarHBondContact O-N 3.22Å; F46-T50 WeakPolarHBondContact O-CB 3.35Å; F46-T50 PolarHBondContact O-N 3.31Å; F46-T50 PolarHBondContact O-OG1 3.39Å; F46-L55 HydrophobicContact CB-CD2 3.8Å; F46-L55 HydrophobicContact CG-CD2 4.37Å; F46-L55 WeakPolarHBondContact O-CD2 3.45Å; F46-L63 HydrophobicContact CD1-CD1 3.97Å; F46-L63 HydrophobicContact CD1-CD2 4.48Å; F46-L63 HydrophobicContact CE1-CD1 3.37Å; F46-L63 HydrophobicContact CE1-CD2 4.32Å; F46-L63 HydrophobicContact CZ-CD1 3.92Å; F46-L63 HydrophobicContact CZ-CD2 4.45Å
47E84Confident80.1Confident98 Ų9867.9 Ų67.946%0.45832%0.323SS..Hα-helixtrans-61.4-49.2174.7-171.2169.6-140.400110.9H43 L45 L49 T50 E51H43-E47 WeakPolarHBondContact O-CB 3.32Å; H43-E47 PolarHBondContact O-N 3.07Å; L45-E47 VanDerWaalsContact C-N 3.34Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.31Å; E47-T50 CarbonylContact O-C 3.53Å; E47-T50 WeakPolarHBondContact O-CA 3.44Å; E47-T50 WeakPolarHBondContact O-CB 3.38Å; E47-T50 PolarHBondContact O-N 3.35Å; E47-E51 WeakPolarHBondContact O-CG 3.32Å; E47-E51 PolarHBondContact O-N 3Å
48I83.7Confident79.2Confident27 Ų2768.1 Ų68.114%0.13833%0.329CS..Hα-helixtrans-63.2-39.7177.5-68.5165.1000111.8I31 I39 Q44 L45 T50 E51 R52I31-I48 HydrophobicContact CD1-CG2 3.85Å; I31-I48 HydrophobicContact CG1-CG2 4.35Å; I31-I48 HydrophobicContact CG2-CG2 4.24Å; I39-I48 HydrophobicContact CD1-CD1 3.52Å; I39-I48 HydrophobicContact CG1-CD1 3.64Å; Q44-I48 WeakPolarHBondContact O-CD1 3.47Å; Q44-I48 WeakPolarHBondContact O-CG1 3.5Å; Q44-I48 PolarHBondContact O-N 2.89Å; Q44-I48 VanDerWaalsContact O-N 3.15Å; L45-I48 PolarHBondContact O-N 3.4Å; I48-T50 PolarHBondContact O-N 3.46Å; I48-E51 PolarHBondContact O-N 3.13Å; I48-R52 WeakPolarHBondContact O-CB 3.44Å; I48-R52 WeakPolarHBondContact O-CG 3.46Å; I48-R52 PolarHBondContact O-N 3.31Å
49L83.3Confident78.6Confident1 Ų163.4 Ų63.41%0.00531%0.314CS..Hα-helixtrans-64.1-33.5174.6-72.5169.4000111.5V27 I31 L45 F46 E47 G53 Q54 L55 Y62 L66V27-L49 HydrophobicContact CG1-CD1 4.37Å; V27-L49 HydrophobicContact CG1-CD2 4.28Å; I31-L49 HydrophobicContact CD1-CD2 3.59Å; I31-L49 HydrophobicContact CD1-CG 3.82Å; I31-L49 HydrophobicContact CG1-CD2 4.24Å; L45-L49 HydrophobicContact CG-CD1 4.23Å; L45-L49 WeakPolarHBondContact O-CG 3.37Å; L45-L49 PolarHBondContact O-N 3.48Å; F46-L49 HydrophobicContact CD1-CD1 4.44Å; F46-L49 PolarHBondContact O-N 3.22Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.31Å; L49-G53 PolarHBondContact O-N 3.34Å; L49-Q54 HydrophobicContact CD2-CB 4.1Å; L49-Q54 PolarHBondContact O-N 2.84Å; L49-L55 HydrophobicContact CB-CB 3.69Å; L49-L55 PolarHBondContact O-N 3.49Å; L49-Y62 HydrophobicContact CD2-CE1 4.18Å; L49-L66 HydrophobicContact CD1-CD1 4.34Å
50T82.1Confident78.2Confident54 Ų5463.3 Ų63.333%0.33131%0.314SS..Hα-helixtrans-71.1-46.4177.2-54.40000111.3F46 E47 I48 R52 G53 L55F46-T50 WeakPolarHBondContact O-CB 3.35Å; F46-T50 PolarHBondContact O-N 3.31Å; F46-T50 PolarHBondContact O-OG1 3.39Å; E47-T50 CarbonylContact O-C 3.53Å; E47-T50 WeakPolarHBondContact O-CA 3.44Å; E47-T50 WeakPolarHBondContact O-CB 3.38Å; E47-T50 PolarHBondContact O-N 3.35Å; I48-T50 PolarHBondContact O-N 3.46Å; T50-R52 PolarHBondContact O-N 3Å; T50-G53 PolarHBondContact O-N 3.47Å; T50-L55 WeakPolarHBondContact CA-O 3.43Å; T50-L55 WeakPolarHBondContact OG1-CD2 3.48Å
51E81.6Confident78.2Confident141 Ų14159.8 Ų59.866%0.65930%0.303SS*.Hα-helixtrans-59-35.7175.5-71.3179.6169.400112.3E47 I48 G53E47-E51 WeakPolarHBondContact O-CG 3.32Å; E47-E51 PolarHBondContact O-N 3Å; I48-E51 PolarHBondContact O-N 3.13Å; E51-G53 PolarHBondContact O-N 3.4Å
52R76.6Confident78.1Confident114 Ų11459.1 Ų59.143%0.4329%0.294SS..THydrogen-bonded Turntrans-79.5-1.8176-70-175.3179.7-97.27.8113.9I48 T50 Q54I48-R52 WeakPolarHBondContact O-CB 3.44Å; I48-R52 WeakPolarHBondContact O-CG 3.46Å; I48-R52 PolarHBondContact O-N 3.31Å; T50-R52 PolarHBondContact O-N 3Å; R52-Q54 HydrophobicContact CB-CG 4.35Å; R52-Q54 PolarHBondContact O-N 3.26Å
53G74.6Confident78.1Confident34 Ų3458.9 Ų58.935%0.35129%0.292SS..THydrogen-bonded Turntrans68.516-179.300000114.8L49 T50 E51 K59L49-G53 PolarHBondContact O-N 3.34Å; T50-G53 PolarHBondContact O-N 3.47Å; E51-G53 PolarHBondContact O-N 3.4Å; G53-K59 PolarHBondContact O-NZ 2.9Å
54Q73.5Confident78.1Confident74 Ų7456.5 Ų56.535%0.34628%0.282SS..SBendtrans-83.7-33.3173.1-65.9-60.5-44.500110.9L49 R52 Y62L49-Q54 HydrophobicContact CD2-CB 4.1Å; L49-Q54 PolarHBondContact O-N 2.84Å; R52-Q54 HydrophobicContact CB-CG 4.35Å; R52-Q54 PolarHBondContact O-N 3.26Å; Q54-Y62 HydrophobicContact CB-CD1 4.38Å; Q54-Y62 HydrophobicContact CB-CE1 4.24Å
55L77.9Confident78Confident3 Ų358 Ų582%0.01629%0.289CS..SBendtrans-109.3135.7173.4-166.175.1000110F4 L8 F46 L49 T50 L63F4-L55 HydrophobicContact CE1-CG 4.41Å; F4-L55 HydrophobicContact CZ-CG 4.22Å; L8-L55 HydrophobicContact CD1-CD2 3.78Å; L8-L55 HydrophobicContact CD2-CD2 3.9Å; F46-L55 HydrophobicContact CB-CD2 3.8Å; F46-L55 HydrophobicContact CG-CD2 4.37Å; F46-L55 WeakPolarHBondContact O-CD2 3.45Å; L49-L55 HydrophobicContact CB-CB 3.69Å; L49-L55 PolarHBondContact O-N 3.49Å; T50-L55 WeakPolarHBondContact CA-O 3.43Å; T50-L55 WeakPolarHBondContact OG1-CD2 3.48Å; L55-L63 HydrophobicContact CD1-CB 3.36Å; L55-L63 HydrophobicContact CD1-CD2 3.69Å; L55-L63 HydrophobicContact CD1-CG 4.03Å; L55-L63 HydrophobicContact CD2-CD2 4.28Å
56G71.6Confident78Confident19 Ų1958.3 Ų58.320%0.19629%0.291CS..SBendtrans-171.6171.9176.300000110.4D58 K59 A60G56-D58 PolarHBondContact O-N 3.08Å; G56-K59 CarbonylContact O-C 3.59Å; G56-K59 PolarHBondContact O-N 3.39Å; G56-A60 PolarHBondContact O-N 3.33Å; G56-A60 VanDerWaalsContact O-N 3.14Å
57K66.4Low78Confident117 Ų11758.2 Ų58.251%0.50929%0.29SS..THydrogen-bonded Turntrans-57.2-33.9178.4-64179.7-176.4172.80112.2F4F4-K57 HydrophobicContact CB-CG 4.14Å; F4-K57 HydrophobicContact CD1-CG 4.12Å; F4-K57 HydrophobicContact CG-CG 4.09Å
58D60.6Low78Confident161 Ų16160.5 Ų60.586%0.86130%0.295SS*.THydrogen-bonded Turntrans-90.5-5.9-178.8-48.1-49.8000113.1G56G56-D58 PolarHBondContact O-N 3.08Å
59K68.3Low78Confident113 Ų11365.1 Ų65.149%0.49132%0.316SS..  trans-130.627.7-173.9-61.4-174.2-174.2176.70112.6G53 G56 N61 Y62G53-K59 PolarHBondContact O-NZ 2.9Å; G56-K59 CarbonylContact O-C 3.59Å; G56-K59 PolarHBondContact O-N 3.39Å; K59-N61 PolarHBondContact O-N 3.43Å; K59-Y62 PolarHBondContact O-N 2.88Å
60A74.1Confident78Confident0 Ų065.2 Ų65.20%032%0.316CS..Hα-helixtrans-69.9-14.9178.700000112.3F4 G56 Y62 L63 C64 L79 E83F4-A60 HydrophobicContact CE2-CB 4.08Å; F4-A60 HydrophobicContact CZ-CB 4.34Å; G56-A60 PolarHBondContact O-N 3.33Å; G56-A60 VanDerWaalsContact O-N 3.14Å; A60-Y62 VanDerWaalsContact C-N 3.25Å; A60-Y62 PolarHBondContact O-N 2.93Å; A60-L63 WeakPolarHBondContact O-CB 3.45Å; A60-L63 PolarHBondContact O-N 3.37Å; A60-C64 PolarHBondContact O-N 2.97Å; A60-C64 PolarHBondContact O-SG 2.84Å; A60-L79 HydrophobicContact CB-CD1 4.32Å; A60-L79 HydrophobicContact CB-CD2 4.19Å; A60-L79 HydrophobicContact CB-CG 4.24Å; A60-E83 VanDerWaalsContact C-OE1 3.31Å; A60-E83 WeakPolarHBondContact CA-OE1 3.32Å; A60-E83 HydrophobicContact CB-CG 3.78Å; A60-E83 WeakPolarHBondContact CB-OE1 3.44Å; A60-E83 PolarHBondContact N-OE1 3.38Å
61N78.4Confident77.8Confident99 Ų9970.6 Ų70.653%0.52934%0.338SS..Hα-helixtrans-53.7-38.5168.6-167.25000113.2K59 L63 C64 Q65 E83K59-N61 PolarHBondContact O-N 3.43Å; N61-L63 VanDerWaalsContact C-N 3.29Å; N61-L63 PolarHBondContact O-N 3.2Å; N61-C64 WeakPolarHBondContact O-CB 3.33Å; N61-C64 PolarHBondContact O-N 2.84Å; N61-Q65 WeakPolarHBondContact O-CG 3.35Å; N61-Q65 PolarHBondContact O-N 3.41Å; N61-E83 PolarHBondContact N-OE1 3.03Å
62Y81.8Confident77.7Confident46 Ų4666.1 Ų66.118%0.1832%0.315CS..Hα-helixtrans-60.8-41.8176.1-179.4-110.2000111.3L49 Q54 K59 A60 Q65 L66L49-Y62 HydrophobicContact CD2-CE1 4.18Å; Q54-Y62 HydrophobicContact CB-CD1 4.38Å; Q54-Y62 HydrophobicContact CB-CE1 4.24Å; K59-Y62 PolarHBondContact O-N 2.88Å; A60-Y62 VanDerWaalsContact C-N 3.25Å; A60-Y62 PolarHBondContact O-N 2.93Å; Y62-Q65 PolarHBondContact O-N 3.13Å; Y62-L66 HydrophobicContact CD1-CD1 3.97Å; Y62-L66 HydrophobicContact CE1-CD1 3.53Å; Y62-L66 HydrophobicContact CE1-CG 4.28Å; Y62-L66 WeakPolarHBondContact O-CG 3.36Å; Y62-L66 PolarHBondContact O-N 3.33Å
63L82.9Confident77.7Confident0 Ų064.4 Ų64.40%031%0.314CS..Hα-helixtrans-71.1-35.5175.7-179.560.3000112.7L8 F46 L55 A60 N61 Q65 L66 L67 L79L8-L63 HydrophobicContact CD2-CD2 3.37Å; F46-L63 HydrophobicContact CD1-CD1 3.97Å; F46-L63 HydrophobicContact CD1-CD2 4.48Å; F46-L63 HydrophobicContact CE1-CD1 3.37Å; F46-L63 HydrophobicContact CE1-CD2 4.32Å; F46-L63 HydrophobicContact CZ-CD1 3.92Å; F46-L63 HydrophobicContact CZ-CD2 4.45Å; L55-L63 HydrophobicContact CD1-CB 3.36Å; L55-L63 HydrophobicContact CD1-CD2 3.69Å; L55-L63 HydrophobicContact CD1-CG 4.03Å; L55-L63 HydrophobicContact CD2-CD2 4.28Å; A60-L63 WeakPolarHBondContact O-CB 3.45Å; A60-L63 PolarHBondContact O-N 3.37Å; N61-L63 VanDerWaalsContact C-N 3.29Å; N61-L63 PolarHBondContact O-N 3.2Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.34Å; L63-L66 PolarHBondContact O-N 3.19Å; L63-L67 HydrophobicContact CD1-CD1 4.22Å; L63-L67 HydrophobicContact CD1-CG 4.13Å; L63-L67 HydrophobicContact CG-CD1 3.93Å; L63-L67 HydrophobicContact CG-CG 4.32Å; L63-L67 WeakPolarHBondContact O-CB 3.43Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.28Å; L63-L79 HydrophobicContact CB-CD2 3.7Å; L63-L79 HydrophobicContact CD2-CD2 3.48Å; L63-L79 VanDerWaalsContact CD2-CD2 3.48Å; L63-L79 HydrophobicContact CG-CD2 3.48Å; L63-L79 VanDerWaalsContact CG-CD2 3.48Å
64C83Confident78Confident10 Ų1067.8 Ų67.87%0.06832%0.324CS..Hα-helixtrans-57.8-43.5171.5-690000111.2A60 N61 L67 R68A60-C64 PolarHBondContact O-N 2.97Å; A60-C64 PolarHBondContact O-SG 2.84Å; N61-C64 WeakPolarHBondContact O-CB 3.33Å; N61-C64 PolarHBondContact O-N 2.84Å; C64-L67 PolarHBondContact O-N 3.1Å; C64-R68 WeakPolarHBondContact O-CG 3.39Å; C64-R68 PolarHBondContact O-N 3.42Å
65Q83.8Confident78.5Confident103 Ų10364.3 Ų64.348%0.48131%0.308SS..Hα-helixtrans-63.8-45.2176.9-71.8178.1-11.700112.1N61 Y62 L63 L67 R68 Q69N61-Q65 WeakPolarHBondContact O-CG 3.35Å; N61-Q65 PolarHBondContact O-N 3.41Å; Y62-Q65 PolarHBondContact O-N 3.13Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.34Å; Q65-L67 VanDerWaalsContact C-N 3.34Å; Q65-L67 PolarHBondContact O-N 3.05Å; Q65-R68 PolarHBondContact O-N 3.48Å; Q65-Q69 WeakPolarHBondContact O-CG 2.86Å; Q65-Q69 PolarHBondContact O-N 2.92Å
66L84.4Confident78.7Confident9 Ų964.2 Ų64.25%0.04731%0.307CS..Hα-helixtrans-60.2-43.5176-71.1176000111.8L23 L26 V27 L49 Y62 L63 R68 Q69 V70L23-L66 HydrophobicContact CD2-CB 3.77Å; L26-L66 HydrophobicContact CB-CD2 3.82Å; L26-L66 HydrophobicContact CD1-CD2 4.14Å; V27-L66 HydrophobicContact CG1-CD1 3.86Å; V27-L66 HydrophobicContact CG1-CD2 4.17Å; L49-L66 HydrophobicContact CD1-CD1 4.34Å; Y62-L66 HydrophobicContact CD1-CD1 3.97Å; Y62-L66 HydrophobicContact CE1-CD1 3.53Å; Y62-L66 HydrophobicContact CE1-CG 4.28Å; Y62-L66 WeakPolarHBondContact O-CG 3.36Å; Y62-L66 PolarHBondContact O-N 3.33Å; L63-L66 PolarHBondContact O-N 3.19Å; L66-R68 PolarHBondContact O-N 3.18Å; L66-Q69 PolarHBondContact O-N 3.46Å; L66-V70 WeakPolarHBondContact O-CG2 3.17Å; L66-V70 PolarHBondContact O-N 2.9Å
67L85.2Confident79Confident0 Ų069.1 Ų69.10%033%0.325CS..Hα-helixtrans-66.2-36.1179.1-70.4167.2000112.4I11 L15 L63 C64 Q65 V70 Q71 R72 L75 L79I11-L67 HydrophobicContact CG2-CD1 4.22Å; I11-L67 HydrophobicContact CG2-CD2 4.12Å; L15-L67 HydrophobicContact CD2-CD2 4.24Å; L63-L67 HydrophobicContact CD1-CD1 4.22Å; L63-L67 HydrophobicContact CD1-CG 4.13Å; L63-L67 HydrophobicContact CG-CD1 3.93Å; L63-L67 HydrophobicContact CG-CG 4.32Å; L63-L67 WeakPolarHBondContact O-CB 3.43Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.28Å; C64-L67 PolarHBondContact O-N 3.1Å; Q65-L67 VanDerWaalsContact C-N 3.34Å; Q65-L67 PolarHBondContact O-N 3.05Å; L67-V70 PolarHBondContact O-N 3.2Å; L67-Q71 PolarHBondContact O-N 3.21Å; L67-R72 PolarHBondContact O-N 2.95Å; L67-L75 HydrophobicContact CD1-CB 4.1Å; L67-L75 HydrophobicContact CD2-CB 4.07Å; L67-L75 HydrophobicContact CD2-CD1 4.22Å; L67-L79 HydrophobicContact CD1-CD2 4.15Å
68R84.9Confident79.7Confident146 Ų14668.5 Ų68.555%0.55132%0.323SS*.Hα-helixtrans-66.7-40.2173.4-75.1-178.7178.8179.3-2.3112.6C64 Q65 L66 V70 Q71C64-R68 WeakPolarHBondContact O-CG 3.39Å; C64-R68 PolarHBondContact O-N 3.42Å; Q65-R68 PolarHBondContact O-N 3.48Å; L66-R68 PolarHBondContact O-N 3.18Å; R68-V70 PolarHBondContact O-N 3Å; R68-Q71 PolarHBondContact O-N 3.42Å
69Q82.8Confident80.7Confident123 Ų12360.9 Ų60.958%0.57528%0.282SS*.Hα-helixtrans-63.5-26.7176.2-76.1-177-1500112.6L26 Q65 L66 Q71L26-Q69 HydrophobicContact CD1-CB 3.64Å; L26-Q69 VanDerWaalsContact CD2-OE1 3.22Å; Q65-Q69 WeakPolarHBondContact O-CG 2.86Å; Q65-Q69 PolarHBondContact O-N 2.92Å; L66-Q69 PolarHBondContact O-N 3.46Å; Q69-Q71 PolarHBondContact O-N 3.01Å
70V84Confident81.1Confident3 Ų357.7 Ų57.72%0.01827%0.274CS..THydrogen-bonded Turntrans-89.413176.21780000111.6N19 Q22 L23 L26 L66 L67 R68 R72N19-V70 HydrophobicContact CB-CG1 3.53Å; Q22-V70 HydrophobicContact CB-CG1 4.25Å; Q22-V70 HydrophobicContact CB-CG2 3.84Å; L23-V70 HydrophobicContact CD2-CG2 3.78Å; L23-V70 HydrophobicContact CG-CG2 3.9Å; L26-V70 HydrophobicContact CD1-CG2 3.74Å; L66-V70 WeakPolarHBondContact O-CG2 3.17Å; L66-V70 PolarHBondContact O-N 2.9Å; L67-V70 PolarHBondContact O-N 3.2Å; R68-V70 PolarHBondContact O-N 3Å; V70-R72 HydrophobicContact CG1-CG 4.28Å; V70-R72 PolarHBondContact O-N 3.24Å; V70-R72 VanDerWaalsContact O-N 3.12Å
71Q77.6Confident81.2Confident168 Ų16862 Ų6279%0.78530%0.297SS*.THydrogen-bonded Turntrans54.729.6-179.1-60.5-177.2-16.900113.5L67 R68 Q69L67-Q71 PolarHBondContact O-N 3.21Å; R68-Q71 PolarHBondContact O-N 3.42Å; Q69-Q71 PolarHBondContact O-N 3.01Å
72R78.4Confident80.8Confident47 Ų4758.7 Ų58.718%0.17728%0.277CS..  trans-10858.2175.8-69.2-70.4-72.2148.5-0.9109.8M14 N19 L67 V70 D74 L75 S76M14-R72 PolarHBondContact O-NH2 3.36Å; N19-R72 WeakPolarHBondContact ND2-CD 3.43Å; N19-R72 WeakPolarHBondContact ND2-CG 3.26Å; L67-R72 PolarHBondContact O-N 2.95Å; V70-R72 HydrophobicContact CG1-CG 4.28Å; V70-R72 PolarHBondContact O-N 3.24Å; V70-R72 VanDerWaalsContact O-N 3.12Å; R72-D74 IonicContact CZ-OD2 2.72Å; R72-D74 IonicContact NH1-OD2 3.84Å; R72-D74 PolarHBondContact NH1-OD2 3.12Å; R72-D74 PolarHBondContact O-N 3.12Å; R72-L75 HydrophobicContact CB-CB 4.26Å; R72-L75 HydrophobicContact CB-CD1 3.99Å; R72-L75 HydrophobicContact CB-CG 4.18Å; R72-L75 HydrophobicContact CG-CD1 4.27Å; R72-L75 PolarHBondContact O-N 2.98Å; R72-S76 PolarHBondContact O-N 2.96Å; R72-S76 VanDerWaalsContact O-N 3.12Å
73D77.6Confident80Confident77 Ų7757.6 Ų57.641%0.41227%0.274SS..Hα-helixtrans-54.1-38.4176.5-68.1-87000111.6L75 S76 E77D73-L75 VanDerWaalsContact C-N 3.25Å; D73-L75 PolarHBondContact O-N 3.49Å; D73-S76 WeakPolarHBondContact CA-OG 3.39Å; D73-S76 CarbonylContact O-C 3.42Å; D73-S76 WeakPolarHBondContact O-CA 3.36Å; D73-S76 WeakPolarHBondContact O-CB 3.39Å; D73-S76 PolarHBondContact O-N 3.15Å; D73-S76 PolarHBondContact O-OG 3.43Å; D73-E77 PolarHBondContact O-N 3.08Å
74D81.1Confident79Confident105 Ų10560.8 Ų60.856%0.56129%0.293SS*.Hα-helixtrans-52.6-41.7175-36.9-35000112.9R72 K78R72-D74 IonicContact CZ-OD2 2.72Å; R72-D74 IonicContact NH1-OD2 3.84Å; R72-D74 PolarHBondContact NH1-OD2 3.12Å; R72-D74 PolarHBondContact O-N 3.12Å; D74-K78 WeakPolarHBondContact O-CB 3.41Å; D74-K78 PolarHBondContact O-N 2.79Å
75L83.1Confident77.6Confident1 Ų165.7 Ų65.71%0.00532%0.315CS..Hα-helixtrans-77.8-35.4-179-62.4-178.9000110.9I11 M14 L15 L67 R72 D73 E77 K78 L79I11-L75 HydrophobicContact CG2-CB 4.42Å; I11-L75 HydrophobicContact CG2-CD1 4.24Å; M14-L75 HydrophobicContact CB-CD1 4.35Å; M14-L75 HydrophobicContact CB-CD2 3.64Å; M14-L75 HydrophobicContact CE-CD2 4.49Å; M14-L75 HydrophobicContact CG-CD2 4.34Å; M14-L75 HydrophobicContact SD-CD2 3.89Å; L15-L75 HydrophobicContact CD2-CD1 3.97Å; L15-L75 HydrophobicContact CG-CD1 4.16Å; L67-L75 HydrophobicContact CD1-CB 4.1Å; L67-L75 HydrophobicContact CD2-CB 4.07Å; L67-L75 HydrophobicContact CD2-CD1 4.22Å; R72-L75 HydrophobicContact CB-CB 4.26Å; R72-L75 HydrophobicContact CB-CD1 3.99Å; R72-L75 HydrophobicContact CB-CG 4.18Å; R72-L75 HydrophobicContact CG-CD1 4.27Å; R72-L75 PolarHBondContact O-N 2.98Å; D73-L75 VanDerWaalsContact C-N 3.25Å; D73-L75 PolarHBondContact O-N 3.49Å; L75-E77 VanDerWaalsContact C-N 3.32Å; L75-K78 PolarHBondContact O-N 3.19Å; L75-L79 WeakPolarHBondContact O-CB 3.22Å; L75-L79 PolarHBondContact O-N 2.78Å
76S82.8Confident76Confident1 Ų162.1 Ų62.11%0.00730%0.3CS..Hα-helixtrans-63.2-40.5173.386.70000111.3R72 D73 L79 S80R72-S76 PolarHBondContact O-N 2.96Å; R72-S76 VanDerWaalsContact O-N 3.12Å; D73-S76 WeakPolarHBondContact CA-OG 3.39Å; D73-S76 CarbonylContact O-C 3.42Å; D73-S76 WeakPolarHBondContact O-CA 3.36Å; D73-S76 WeakPolarHBondContact O-CB 3.39Å; D73-S76 PolarHBondContact O-N 3.15Å; D73-S76 PolarHBondContact O-OG 3.43Å; S76-L79 PolarHBondContact O-N 2.8Å; S76-S80 VanDerWaalsContact O-CB 3.26Å; S76-S80 WeakPolarHBondContact O-CB 3.24Å; S76-S80 PolarHBondContact O-N 3.11Å
77E78.8Confident74.3Confident122 Ų12268.4 Ų68.457%0.5733%0.327SS*.Hα-helixtrans-68.2-41.3175.7-75.1-168.717400111.3D73 L75 L79 S80 N81D73-E77 PolarHBondContact O-N 3.08Å; L75-E77 VanDerWaalsContact C-N 3.32Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.42Å; E77-S80 PolarHBondContact O-N 2.85Å; E77-N81 VanDerWaalsContact O-CB 3.23Å; E77-N81 WeakPolarHBondContact O-CB 3.25Å; E77-N81 PolarHBondContact O-N 3.32Å; E77-N81 PolarHBondContact O-ND2 2.95Å
78K80.6Confident72.5Confident105 Ų10575.7 Ų75.746%0.45736%0.359SS..Hα-helixtrans-60.2-40.9174.9-167.7171-174.5173.30111.9D74 L75 W82D74-K78 WeakPolarHBondContact O-CB 3.41Å; D74-K78 PolarHBondContact O-N 2.79Å; L75-K78 PolarHBondContact O-N 3.19Å; K78-W82 WeakPolarHBondContact O-CB 3.5Å; K78-W82 PolarHBondContact O-N 3.5Å; K78-W82 VanDerWaalsContact O-N 3.09Å
79L80.9Confident70.6Confident0 Ų074.8 Ų74.80%036%0.364CS..Hα-helixtrans-70.2-43.3176.2-17363.7000112F4 V7 I11 A60 L63 L67 L75 S76 E77 W82 E83F4-L79 HydrophobicContact CE2-CD1 4.31Å; V7-L79 HydrophobicContact CG1-CD1 4.08Å; I11-L79 HydrophobicContact CD1-CB 3.86Å; I11-L79 HydrophobicContact CD1-CD1 3.78Å; I11-L79 HydrophobicContact CD1-CD2 4.43Å; I11-L79 HydrophobicContact CD1-CG 4.24Å; A60-L79 HydrophobicContact CB-CD1 4.32Å; A60-L79 HydrophobicContact CB-CD2 4.19Å; A60-L79 HydrophobicContact CB-CG 4.24Å; L63-L79 HydrophobicContact CB-CD2 3.7Å; L63-L79 HydrophobicContact CD2-CD2 3.48Å; L63-L79 VanDerWaalsContact CD2-CD2 3.48Å; L63-L79 HydrophobicContact CG-CD2 3.48Å; L63-L79 VanDerWaalsContact CG-CD2 3.48Å; L67-L79 HydrophobicContact CD1-CD2 4.15Å; L75-L79 WeakPolarHBondContact O-CB 3.22Å; L75-L79 PolarHBondContact O-N 2.78Å; S76-L79 PolarHBondContact O-N 2.8Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.42Å; L79-W82 CarbonylContact O-C 3.56Å; L79-W82 WeakPolarHBondContact O-CB 3.5Å; L79-W82 PolarHBondContact O-N 3.12Å; L79-E83 PolarHBondContact O-N 2.83Å
80S77.5Confident68.3Low47 Ų4772.3 Ų72.333%0.32936%0.359SS..Hα-helixtrans-61.5-45.5176-177.20000111.6S76 E77 W82 E83 V84S76-S80 VanDerWaalsContact O-CB 3.26Å; S76-S80 WeakPolarHBondContact O-CB 3.24Å; S76-S80 PolarHBondContact O-N 3.11Å; E77-S80 PolarHBondContact O-N 2.85Å; S80-W82 VanDerWaalsContact C-N 3.28Å; S80-W82 PolarHBondContact O-N 3.36Å; S80-E83 WeakPolarHBondContact O-CB 3.3Å; S80-E83 PolarHBondContact O-N 2.96Å; S80-E83 VanDerWaalsContact O-N 3.11Å; S80-V84 WeakPolarHBondContact O-CG2 3.4Å; S80-V84 PolarHBondContact O-N 2.74Å
81N75.6Confident66.2Low90 Ų9077.3 Ų77.348%0.48139%0.392SS..Hα-helixtrans-62.3-36.5175.5-74.8-24000111.4E77 V84 Q85E77-N81 VanDerWaalsContact O-CB 3.23Å; E77-N81 WeakPolarHBondContact O-CB 3.25Å; E77-N81 PolarHBondContact O-N 3.32Å; E77-N81 PolarHBondContact O-ND2 2.95Å; N81-V84 PolarHBondContact O-N 3.48Å; N81-Q85 VanDerWaalsContact O-CB 3.3Å; N81-Q85 WeakPolarHBondContact O-CB 3.26Å; N81-Q85 WeakPolarHBondContact O-CG 3.43Å; N81-Q85 PolarHBondContact O-N 2.74Å
82W70.8Confident64.6Low29 Ų2971.9 Ų71.911%0.1137%0.37CS..Hα-helixtrans-69-38.9171.8179.884.5000112.8F4 V7 K78 L79 S80 V84 Q85 T86F4-W82 HydrophobicContact CB-CH2 3.45Å; F4-W82 VanDerWaalsContact CB-CH2 3.45Å; F4-W82 HydrophobicContact CB-CZ2 3.54Å; F4-W82 HydrophobicContact CB-CZ3 4.38Å; F4-W82 AromaticContact CD2-CE3 3.87Å; F4-W82 HydrophobicContact CD2-CE3 3.87Å; F4-W82 AromaticContact CD2-CH2 3.17Å; F4-W82 HydrophobicContact CD2-CH2 3.17Å; F4-W82 AromaticContact CD2-CZ2 3.81Å; F4-W82 HydrophobicContact CD2-CZ2 3.81Å; F4-W82 AromaticContact CD2-CZ3 3.19Å; F4-W82 HydrophobicContact CD2-CZ3 3.19Å; F4-W82 HydrophobicContact CE2-CE3 4.3Å; F4-W82 HydrophobicContact CE2-CH2 4.12Å; F4-W82 AromaticContact CE2-CZ3 3.71Å; F4-W82 HydrophobicContact CE2-CZ3 3.71Å; F4-W82 AromaticContact CG-CH2 3.66Å; F4-W82 HydrophobicContact CG-CH2 3.66Å; F4-W82 HydrophobicContact CG-CZ2 4.16Å; F4-W82 HydrophobicContact CG-CZ3 4.13Å; V7-W82 HydrophobicContact CB-CD2 4.43Å; V7-W82 HydrophobicContact CB-CG 4.24Å; V7-W82 HydrophobicContact CG1-CB 4.24Å; V7-W82 HydrophobicContact CG1-CG 4.15Å; V7-W82 HydrophobicContact CG2-CB 4.32Å; V7-W82 HydrophobicContact CG2-CD2 4.15Å; V7-W82 HydrophobicContact CG2-CG 3.64Å; K78-W82 WeakPolarHBondContact O-CB 3.5Å; K78-W82 PolarHBondContact O-N 3.5Å; K78-W82 VanDerWaalsContact O-N 3.09Å; L79-W82 CarbonylContact O-C 3.56Å; L79-W82 WeakPolarHBondContact O-CB 3.5Å; L79-W82 PolarHBondContact O-N 3.12Å; S80-W82 VanDerWaalsContact C-N 3.28Å; S80-W82 PolarHBondContact O-N 3.36Å; W82-V84 VanDerWaalsContact C-N 3.31Å; W82-V84 PolarHBondContact O-N 3.45Å; W82-Q85 PolarHBondContact O-N 2.84Å; W82-T86 HydrophobicContact CD2-CG2 3.78Å; W82-T86 HydrophobicContact CE3-CG2 4.21Å; W82-T86 HydrophobicContact CG-CG2 4.35Å; W82-T86 HydrophobicContact CH2-CG2 3.66Å; W82-T86 HydrophobicContact CZ2-CG2 3.24Å; W82-T86 HydrophobicContact CZ3-CG2 4.13Å; W82-T86 WeakPolarHBondContact O-CB 3.46Å; W82-T86 WeakPolarHBondContact O-CG2 3.34Å; W82-T86 PolarHBondContact O-N 3.3Å; W82-T86 PolarHBondContact O-OG1 2.74Å
83E64.7Low63.2Low24 Ų2472.3 Ų72.311%0.11238%0.379CS..Hα-helixtrans-60.1-43171.2-85.7-158.417600110.8A60 N61 L79 S80 T86 K87A60-E83 VanDerWaalsContact C-OE1 3.31Å; A60-E83 WeakPolarHBondContact CA-OE1 3.32Å; A60-E83 HydrophobicContact CB-CG 3.78Å; A60-E83 WeakPolarHBondContact CB-OE1 3.44Å; A60-E83 PolarHBondContact N-OE1 3.38Å; N61-E83 PolarHBondContact N-OE1 3.03Å; L79-E83 PolarHBondContact O-N 2.83Å; S80-E83 WeakPolarHBondContact O-CB 3.3Å; S80-E83 PolarHBondContact O-N 2.96Å; S80-E83 VanDerWaalsContact O-N 3.11Å; E83-T86 WeakPolarHBondContact CA-OG1 3.07Å; E83-T86 PolarHBondContact O-N 3.4Å; E83-T86 PolarHBondContact O-OG1 3.03Å; E83-K87 VanDerWaalsContact O-CB 3.25Å; E83-K87 WeakPolarHBondContact O-CB 3.42Å; E83-K87 VanDerWaalsContact O-CG 3.24Å; E83-K87 WeakPolarHBondContact O-CG 3.4Å; E83-K87 PolarHBondContact O-N 3.39Å; E83-K87 IonicContact OE2-NZ 3.45Å; E83-K87 PolarHBondContact OE2-NZ 3.19Å
84V60.7Low61.9Low66 Ų6672.5 Ų72.540%0.438%0.377SS..Hα-helixtrans-65.7-42.7177.1173.10000110.4S80 N81 W82 K88S80-V84 WeakPolarHBondContact O-CG2 3.4Å; S80-V84 PolarHBondContact O-N 2.74Å; N81-V84 PolarHBondContact O-N 3.48Å; W82-V84 VanDerWaalsContact C-N 3.31Å; W82-V84 PolarHBondContact O-N 3.45Å; V84-K88 HydrophobicContact CG1-CD 4.35Å; V84-K88 WeakPolarHBondContact O-CB 3.42Å; V84-K88 VanDerWaalsContact O-CG 3.24Å; V84-K88 WeakPolarHBondContact O-CG 3.44Å; V84-K88 PolarHBondContact O-N 2.8Å
85Q53.7Low60.7Low113 Ų11370.2 Ų70.253%0.52837%0.365SS..Hα-helixtrans-67.1-38.4176.3-76.3-179.8400111.9N81 W82 K88 I89N81-Q85 VanDerWaalsContact O-CB 3.3Å; N81-Q85 WeakPolarHBondContact O-CB 3.26Å; N81-Q85 WeakPolarHBondContact O-CG 3.43Å; N81-Q85 PolarHBondContact O-N 2.74Å; W82-Q85 PolarHBondContact O-N 2.84Å; Q85-K88 CarbonylContact O-C 3.5Å; Q85-K88 WeakPolarHBondContact O-CA 3.16Å; Q85-K88 WeakPolarHBondContact O-CB 3.47Å; Q85-K88 PolarHBondContact O-N 2.72Å; Q85-I89 HydrophobicContact CB-CD1 4.42Å; Q85-I89 WeakPolarHBondContact O-CB 3.43Å; Q85-I89 WeakPolarHBondContact O-CD1 3.24Å; Q85-I89 WeakPolarHBondContact O-CG1 3.33Å; Q85-I89 PolarHBondContact O-N 2.74Å
86T50.7Low59.8Low29 Ų2975.5 Ų75.518%0.17839%0.388CS..Hα-helixtrans-75.5-33.7176.9500000113.3W82 E83 K88 I89 C90W82-T86 HydrophobicContact CD2-CG2 3.78Å; W82-T86 HydrophobicContact CE3-CG2 4.21Å; W82-T86 HydrophobicContact CG-CG2 4.35Å; W82-T86 HydrophobicContact CH2-CG2 3.66Å; W82-T86 HydrophobicContact CZ2-CG2 3.24Å; W82-T86 HydrophobicContact CZ3-CG2 4.13Å; W82-T86 WeakPolarHBondContact O-CB 3.46Å; W82-T86 WeakPolarHBondContact O-CG2 3.34Å; W82-T86 PolarHBondContact O-N 3.3Å; W82-T86 PolarHBondContact O-OG1 2.74Å; E83-T86 WeakPolarHBondContact CA-OG1 3.07Å; E83-T86 PolarHBondContact O-N 3.4Å; E83-T86 PolarHBondContact O-OG1 3.03Å; T86-K88 PolarHBondContact O-N 2.8Å; T86-I89 CarbonylContact O-C 3.54Å; T86-I89 PolarHBondContact O-N 3.14Å; T86-C90 PolarHBondContact O-N 2.74Å; T86-C90 PolarHBondContact O-SG 3.05Å
87K49.3Very low59.1Low140 Ų14075.6 Ų75.661%0.60939%0.388SS*.Hα-helixtrans-61.6-30.9164.7-75.4172.4-178163.90111.9E83E83-K87 VanDerWaalsContact O-CB 3.25Å; E83-K87 WeakPolarHBondContact O-CB 3.42Å; E83-K87 VanDerWaalsContact O-CG 3.24Å; E83-K87 WeakPolarHBondContact O-CG 3.4Å; E83-K87 PolarHBondContact O-N 3.39Å; E83-K87 IonicContact OE2-NZ 3.45Å; E83-K87 PolarHBondContact OE2-NZ 3.19Å
88K46.9Very low58.7Low154 Ų15473.7 Ų73.767%0.6738%0.382SS*.THydrogen-bonded Turntrans-77.6-16.2170.3-75174.9177.2-175.70114.4V84 Q85 T86V84-K88 HydrophobicContact CG1-CD 4.35Å; V84-K88 WeakPolarHBondContact O-CB 3.42Å; V84-K88 VanDerWaalsContact O-CG 3.24Å; V84-K88 WeakPolarHBondContact O-CG 3.44Å; V84-K88 PolarHBondContact O-N 2.8Å; Q85-K88 CarbonylContact O-C 3.5Å; Q85-K88 WeakPolarHBondContact O-CA 3.16Å; Q85-K88 WeakPolarHBondContact O-CB 3.47Å; Q85-K88 PolarHBondContact O-N 2.72Å; T86-K88 PolarHBondContact O-N 2.8Å
89I44.5Very low58.3Low127 Ų12769.4 Ų69.465%0.65136%0.364SS*.THydrogen-bonded Turntrans-106.5-16-175.9-67.6158.6000111.7Q85 T86 P91Q85-I89 HydrophobicContact CB-CD1 4.42Å; Q85-I89 WeakPolarHBondContact O-CB 3.43Å; Q85-I89 WeakPolarHBondContact O-CD1 3.24Å; Q85-I89 WeakPolarHBondContact O-CG1 3.33Å; Q85-I89 PolarHBondContact O-N 2.74Å; T86-I89 CarbonylContact O-C 3.54Å; T86-I89 PolarHBondContact O-N 3.14Å; I89-P91 WeakPolarHBondContact O-CD 3.4Å
90C35Very low58Low70 Ų7069.4 Ų69.447%0.47336%0.364SS..SBendtrans-82.3116.8164-68.40000108T86 V92T86-C90 PolarHBondContact O-N 2.74Å; T86-C90 PolarHBondContact O-SG 3.05Å; C90-V92 HydrophobicContact CB-CG2 3.98Å; C90-V92 PolarHBondContact O-N 2.7Å
91P40.8Very low57.9Low109 Ų10967.9 Ų67.971%0.70835%0.352SS*.  trans-70.673.8164.930.8-31.2000107.2I89I89-P91 WeakPolarHBondContact O-CD 3.4Å
92V42.9Very low57.9Low54 Ų5467.4 Ų67.433%0.32735%0.347SS..  trans-59.6145.4160-172.10000105C90 Q94 D95C90-V92 HydrophobicContact CB-CG2 3.98Å; C90-V92 PolarHBondContact O-N 2.7Å; V92-Q94 HydrophobicContact CB-CB 4.05Å; V92-Q94 HydrophobicContact CG1-CB 4.05Å; V92-Q94 HydrophobicContact CG1-CG 4.32Å; V92-Q94 PolarHBondContact O-N 2.94Å; V92-D95 PolarHBondContact O-N 2.84Å
93P48.8Very low58.3Low56 Ų5666.2 Ų66.236%0.36434%0.343SS..Hα-helixtrans-48.2-13.6172-28.734.6000114.6L97P93-L97 PolarHBondContact O-N 3.03Å; P93-L97 VanDerWaalsContact O-N 3.14Å
94Q51.6Low58.9Low80 Ų8065.1 Ų65.137%0.37434%0.338SS..Hα-helixtrans-52.7-47.7167.6-94.3159.3-49.600115.7V92 K96 L97 D98 R149V92-Q94 HydrophobicContact CB-CB 4.05Å; V92-Q94 HydrophobicContact CG1-CB 4.05Å; V92-Q94 HydrophobicContact CG1-CG 4.32Å; V92-Q94 PolarHBondContact O-N 2.94Å; Q94-K96 VanDerWaalsContact C-N 3.29Å; Q94-K96 PolarHBondContact O-N 2.93Å; Q94-L97 CarbonylContact O-C 3.56Å; Q94-L97 WeakPolarHBondContact O-CA 3.45Å; Q94-L97 WeakPolarHBondContact O-CB 3.23Å; Q94-L97 PolarHBondContact O-N 3.36Å; Q94-D98 PolarHBondContact O-N 3.4Å; Q94-R149 VanDerWaalsContact CD-NH2 3.31Å; Q94-R149 VanDerWaalsContact NE2-CZ 3.33Å
95D56Low59.7Low57 Ų5765 Ų6531%0.30533%0.331SS..Hα-helixtrans-65.2-38-177.7-76.1-22.6000111.8V92 L97 D98 I99V92-D95 PolarHBondContact O-N 2.84Å; D95-L97 VanDerWaalsContact C-N 3.25Å; D95-L97 PolarHBondContact O-N 3.21Å; D95-D98 PolarHBondContact O-N 3.39Å; D95-I99 WeakPolarHBondContact O-CB 3.21Å; D95-I99 VanDerWaalsContact O-CD1 3.25Å; D95-I99 WeakPolarHBondContact O-CD1 3.35Å; D95-I99 WeakPolarHBondContact O-CG1 3.3Å; D95-I99 PolarHBondContact O-N 3.18Å
96K63.8Low60.7Low112 Ų11263.8 Ų63.849%0.48733%0.327SS..Hα-helixtrans-62.9-38.4174.5-62.9-170.5178.5176.60110.9Q94 A100 T158 L181Q94-K96 VanDerWaalsContact C-N 3.29Å; Q94-K96 PolarHBondContact O-N 2.93Å; K96-A100 VanDerWaalsContact O-CB 3.29Å; K96-A100 WeakPolarHBondContact O-CB 3.24Å; K96-A100 PolarHBondContact O-N 2.8Å; K96-T158 HydrophobicContact CB-CG2 4.49Å; K96-L181 HydrophobicContact CB-CD2 3.4Å; K96-L181 HydrophobicContact CD-CD2 4.03Å; K96-L181 HydrophobicContact CG-CD2 3.51Å
97L68.4Low61.8Low4 Ų465 Ų652%0.02133%0.333CS..Hα-helixtrans-72.6-39.8177.2-151.981000111.8P93 Q94 D95 I99 A100 T101 W148 R149 Q157 L161P93-L97 PolarHBondContact O-N 3.03Å; P93-L97 VanDerWaalsContact O-N 3.14Å; Q94-L97 CarbonylContact O-C 3.56Å; Q94-L97 WeakPolarHBondContact O-CA 3.45Å; Q94-L97 WeakPolarHBondContact O-CB 3.23Å; Q94-L97 PolarHBondContact O-N 3.36Å; D95-L97 VanDerWaalsContact C-N 3.25Å; D95-L97 PolarHBondContact O-N 3.21Å; L97-I99 VanDerWaalsContact C-N 3.35Å; L97-A100 CarbonylContact O-C 3.53Å; L97-A100 WeakPolarHBondContact O-CB 3.42Å; L97-A100 PolarHBondContact O-N 3.09Å; L97-A100 VanDerWaalsContact O-N 3.16Å; L97-T101 WeakPolarHBondContact O-CA 3.49Å; L97-T101 WeakPolarHBondContact O-CB 3.37Å; L97-T101 PolarHBondContact O-N 3.43Å; L97-T101 PolarHBondContact O-OG1 2.92Å; L97-W148 HydrophobicContact CD1-CZ3 4.15Å; L97-R149 HydrophobicContact CD2-CG 4.5Å; L97-Q157 HydrophobicContact CD1-CB 3.71Å; L97-L161 HydrophobicContact CD1-CD2 4.12Å
98D69.4Low63Low81 Ų8158.5 Ų58.543%0.43331%0.305SS..Hα-helixtrans-67.8-40.2-179.1-66.2-20.7000110Q94 D95 T101 E102Q94-D98 PolarHBondContact O-N 3.4Å; D95-D98 PolarHBondContact O-N 3.39Å; D98-T101 PolarHBondContact O-N 3.39Å; D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 PolarHBondContact O-N 3.49Å
99I73.3Confident64.2Low16 Ų1652.6 Ų52.68%0.08229%0.288CS..Hα-helixtrans-60.4-46.4169.2-65.5161.6000110.8D95 L97 T101 V103 K180 K184D95-I99 WeakPolarHBondContact O-CB 3.21Å; D95-I99 VanDerWaalsContact O-CD1 3.25Å; D95-I99 WeakPolarHBondContact O-CD1 3.35Å; D95-I99 WeakPolarHBondContact O-CG1 3.3Å; D95-I99 PolarHBondContact O-N 3.18Å; L97-I99 VanDerWaalsContact C-N 3.35Å; I99-T101 VanDerWaalsContact C-N 3.31Å; I99-T101 PolarHBondContact O-N 3.28Å; I99-V103 VanDerWaalsContact O-CG2 3.32Å; I99-V103 WeakPolarHBondContact O-CG2 3.43Å; I99-V103 PolarHBondContact O-N 2.97Å; I99-K180 HydrophobicContact CG2-CB 3.58Å; I99-K180 HydrophobicContact CG2-CD 3.7Å; I99-K180 HydrophobicContact CG2-CG 4.31Å; I99-K184 HydrophobicContact CD1-CB 4.49Å; I99-K184 HydrophobicContact CD1-CD 3.75Å; I99-K184 HydrophobicContact CD1-CG 3.8Å
100A73.5Confident65.6Low0 Ų056.8 Ų56.80%030%0.295CS..Hα-helixtrans-63.6-39.8177.800000111.8K96 L97 V103 I104 L161 I177K96-A100 VanDerWaalsContact O-CB 3.29Å; K96-A100 WeakPolarHBondContact O-CB 3.24Å; K96-A100 PolarHBondContact O-N 2.8Å; L97-A100 CarbonylContact O-C 3.53Å; L97-A100 WeakPolarHBondContact O-CB 3.42Å; L97-A100 PolarHBondContact O-N 3.09Å; L97-A100 VanDerWaalsContact O-N 3.16Å; A100-V103 PolarHBondContact O-N 3.34Å; A100-I104 VanDerWaalsContact O-CB 3.26Å; A100-I104 WeakPolarHBondContact O-CB 3.45Å; A100-I104 VanDerWaalsContact O-CD1 3.29Å; A100-I104 WeakPolarHBondContact O-CD1 3.48Å; A100-I104 WeakPolarHBondContact O-CG1 3.43Å; A100-I104 PolarHBondContact O-N 3.13Å; A100-L161 HydrophobicContact CB-CD2 4Å; A100-I177 HydrophobicContact CB-CD1 3.93Å; A100-I177 HydrophobicContact CB-CG1 4.19Å; A100-I177 HydrophobicContact CB-CG2 3.75Å
101T75.1Confident67.6Low14 Ų1457.2 Ų57.29%0.08629%0.293CS..Hα-helixtrans-67.8-41.9-178.5-56.90000110.2L97 D98 I99 I104 R105 M142 L145L97-T101 WeakPolarHBondContact O-CA 3.49Å; L97-T101 WeakPolarHBondContact O-CB 3.37Å; L97-T101 PolarHBondContact O-N 3.43Å; L97-T101 PolarHBondContact O-OG1 2.92Å; D98-T101 PolarHBondContact O-N 3.39Å; I99-T101 VanDerWaalsContact C-N 3.31Å; I99-T101 PolarHBondContact O-N 3.28Å; T101-I104 PolarHBondContact O-N 3.21Å; T101-R105 VanDerWaalsContact O-CB 3.28Å; T101-R105 WeakPolarHBondContact O-CB 3.41Å; T101-R105 PolarHBondContact O-N 3.08Å; T101-M142 HydrophobicContact CG2-CE 4.19Å; T101-M142 HydrophobicContact CG2-SD 3.31Å; T101-M142 WeakPolarHBondContact CG2-SD 3.42Å; T101-L145 HydrophobicContact CG2-CB 4.29Å; T101-L145 HydrophobicContact CG2-CD1 3.4Å; T101-L145 VanDerWaalsContact CG2-CD1 3.4Å; T101-L145 HydrophobicContact CG2-CG 4.49Å
102E76Confident69.5Low81 Ų8153 Ų5338%0.37926%0.263SS..Hα-helixtrans-61.9-48.8173.1164.6159.5-108.700111.9D98 I104 R105 D106 K180D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 PolarHBondContact O-N 3.49Å; E102-I104 VanDerWaalsContact C-N 3.3Å; E102-I104 PolarHBondContact O-N 2.98Å; E102-R105 WeakPolarHBondContact O-CB 3.22Å; E102-R105 PolarHBondContact O-N 3.34Å; E102-R105 IonicContact OE1-NH2 3.23Å; E102-R105 PolarHBondContact OE1-NH2 2.93Å; E102-D106 PolarHBondContact O-N 3.5Å; E102-D106 VanDerWaalsContact O-N 3.13Å; E102-K180 IonicContact OE2-NZ 3.54Å
103V78.6Confident71.4Confident4 Ų456.5 Ų56.52%0.02427%0.27CS..Hα-helixtrans-64.6-37.5178.3175.50000111.4I99 A100 N107 T173 K176 I177 K180I99-V103 VanDerWaalsContact O-CG2 3.32Å; I99-V103 WeakPolarHBondContact O-CG2 3.43Å; I99-V103 PolarHBondContact O-N 2.97Å; A100-V103 PolarHBondContact O-N 3.34Å; V103-N107 WeakPolarHBondContact O-CB 3.32Å; V103-N107 PolarHBondContact O-N 2.77Å; V103-N107 PolarHBondContact O-ND2 3.31Å; V103-T173 HydrophobicContact CG1-CG2 3.97Å; V103-K176 HydrophobicContact CG1-CB 3.79Å; V103-K176 HydrophobicContact CG1-CD 4.35Å; V103-I177 HydrophobicContact CB-CG1 3.86Å; V103-I177 HydrophobicContact CG1-CG1 3.78Å; V103-I177 HydrophobicContact CG2-CG1 4.48Å; V103-K180 HydrophobicContact CG2-CD 3.67Å
104I77.6Confident73Confident0 Ų058 Ų580%027%0.271CS..Hα-helixtrans-66.2-48.6175.6-71.4164.7000110A100 T101 E102 D106 N107 L108 L115 L145 L161 L165 T173 I177A100-I104 VanDerWaalsContact O-CB 3.26Å; A100-I104 WeakPolarHBondContact O-CB 3.45Å; A100-I104 VanDerWaalsContact O-CD1 3.29Å; A100-I104 WeakPolarHBondContact O-CD1 3.48Å; A100-I104 WeakPolarHBondContact O-CG1 3.43Å; A100-I104 PolarHBondContact O-N 3.13Å; T101-I104 PolarHBondContact O-N 3.21Å; E102-I104 VanDerWaalsContact C-N 3.3Å; E102-I104 PolarHBondContact O-N 2.98Å; I104-D106 PolarHBondContact O-N 3.21Å; I104-N107 CarbonylContact O-C 3.54Å; I104-N107 PolarHBondContact O-N 2.89Å; I104-L108 HydrophobicContact CG2-CB 3.78Å; I104-L108 HydrophobicContact CG2-CD1 4.01Å; I104-L108 HydrophobicContact CG2-CD2 3.71Å; I104-L108 HydrophobicContact CG2-CG 4.04Å; I104-L108 WeakPolarHBondContact O-CA 3.34Å; I104-L108 WeakPolarHBondContact O-CB 3.19Å; I104-L108 PolarHBondContact O-N 3.36Å; I104-L115 HydrophobicContact CG2-CD2 4.46Å; I104-L145 HydrophobicContact CB-CD1 4.18Å; I104-L145 HydrophobicContact CD1-CD1 4.11Å; I104-L145 HydrophobicContact CD1-CD2 4.32Å; I104-L145 HydrophobicContact CG2-CD1 3.95Å; I104-L161 HydrophobicContact CD1-CD1 3.95Å; I104-L161 HydrophobicContact CD1-CD2 3.65Å; I104-L161 HydrophobicContact CD1-CG 3.9Å; I104-L165 HydrophobicContact CD1-CD1 3.96Å; I104-L165 HydrophobicContact CD1-CD2 4.44Å; I104-L165 HydrophobicContact CG1-CD1 4.02Å; I104-L165 HydrophobicContact CG1-CD2 4.2Å; I104-T173 HydrophobicContact CG1-CG2 4.16Å; I104-I177 HydrophobicContact CD1-CD1 3.98Å; I104-I177 HydrophobicContact CG1-CD1 3.76Å
105R77.6Confident74.5Confident65 Ų6554.2 Ų54.225%0.24525%0.253CS..Hα-helixtrans-48.4-48.3176.3179.4-167.963.1-142.8-1.8111T101 E102 N107 E138 M142T101-R105 VanDerWaalsContact O-CB 3.28Å; T101-R105 WeakPolarHBondContact O-CB 3.41Å; T101-R105 PolarHBondContact O-N 3.08Å; E102-R105 WeakPolarHBondContact O-CB 3.22Å; E102-R105 PolarHBondContact O-N 3.34Å; E102-R105 IonicContact OE1-NH2 3.23Å; E102-R105 PolarHBondContact OE1-NH2 2.93Å; R105-N107 VanDerWaalsContact C-N 3.32Å; R105-N107 PolarHBondContact O-N 2.93Å; R105-E138 HydrophobicContact CG-CB 3.48Å; R105-E138 VanDerWaalsContact CG-CB 3.48Å; R105-E138 HydrophobicContact CG-CG 3.83Å; R105-M142 HydrophobicContact CB-SD 4.48Å; R105-M142 HydrophobicContact CG-CG 4.34Å
106D75.6Confident75.8Confident86 Ų8651.5 Ų51.546%0.4624%0.239SC..Hα-helixtrans-77.1-14.5-175.4-54.8-12.6000113.5E102 I104E102-D106 PolarHBondContact O-N 3.5Å; E102-D106 VanDerWaalsContact O-N 3.13Å; I104-D106 PolarHBondContact O-N 3.21Å
107N73.9Confident76.8Confident56 Ų5653.8 Ų53.830%0.29924%0.244SC..Hα-helixtrans-131.9-0.9-171.9-61.7-102.5000115.1V103 I104 R105 T173 K176V103-N107 WeakPolarHBondContact O-CB 3.32Å; V103-N107 PolarHBondContact O-N 2.77Å; V103-N107 PolarHBondContact O-ND2 3.31Å; I104-N107 CarbonylContact O-C 3.54Å; I104-N107 PolarHBondContact O-N 2.89Å; R105-N107 VanDerWaalsContact C-N 3.32Å; R105-N107 PolarHBondContact O-N 2.93Å; N107-T173 HydrophobicContact CB-CG2 3.86Å; N107-T173 WeakPolarHBondContact CB-OG1 3.31Å; N107-K176 PolarHBondContact OD1-NZ 3.1Å
108L72.7Confident77.6Confident2 Ų258.3 Ų58.31%0.0126%0.264CS..Hα-helixtrans-80.4-38.2-175.8-170.665.8000112.2I104 R110 N111 W112 L115 A141 L170I104-L108 HydrophobicContact CG2-CB 3.78Å; I104-L108 HydrophobicContact CG2-CD1 4.01Å; I104-L108 HydrophobicContact CG2-CD2 3.71Å; I104-L108 HydrophobicContact CG2-CG 4.04Å; I104-L108 WeakPolarHBondContact O-CA 3.34Å; I104-L108 WeakPolarHBondContact O-CB 3.19Å; I104-L108 PolarHBondContact O-N 3.36Å; L108-R110 PolarHBondContact O-N 2.89Å; L108-N111 PolarHBondContact O-N 3.08Å; L108-N111 VanDerWaalsContact O-N 3.15Å; L108-W112 HydrophobicContact CD2-CB 3.43Å; L108-W112 VanDerWaalsContact CD2-CB 3.43Å; L108-W112 HydrophobicContact CG-CB 3.92Å; L108-L115 HydrophobicContact CD1-CB 4.12Å; L108-L115 HydrophobicContact CD1-CD2 3.5Å; L108-L115 HydrophobicContact CD1-CG 4.41Å; L108-L115 HydrophobicContact CD2-CD2 4.12Å; L108-L115 HydrophobicContact CG-CD2 4.49Å; L108-A141 HydrophobicContact CB-CB 4.31Å; L108-A141 HydrophobicContact CD2-CB 3.5Å; L108-A141 VanDerWaalsContact CD2-CB 3.5Å; L108-L170 HydrophobicContact CD1-CD1 3.58Å
109G72.1Confident78.2Confident30 Ų3055 Ų5531%0.30925%0.246SC..G310 helixtrans48.4-136.6-179.500000113N111G109-N111 PolarHBondContact O-N 2.96Å
110R73.9Confident78.5Confident216 Ų21664.1 Ų64.182%0.81528%0.279SS*.G310 helixtrans-72.5-7.1-178.1-64179-177.5167.20.8114.5L108 W112 L137L108-R110 PolarHBondContact O-N 2.89Å; R110-W112 VanDerWaalsContact C-N 3.25Å; R110-W112 PolarHBondContact O-N 3.12Å; R110-L137 HydrophobicContact CG-CD1 4.1Å; R110-L137 HydrophobicContact CG-CD2 4.2Å
111N77.1Confident78.8Confident79 Ų7964.5 Ų64.542%0.42228%0.281SS..G310 helixtrans-843.6-175.6-68.1-33000113.7L108 G109 R113 K114 L115 L170L108-N111 PolarHBondContact O-N 3.08Å; L108-N111 VanDerWaalsContact O-N 3.15Å; G109-N111 PolarHBondContact O-N 2.96Å; N111-R113 VanDerWaalsContact C-N 3.27Å; N111-R113 PolarHBondContact O-N 3.23Å; N111-K114 WeakPolarHBondContact O-CB 3.29Å; N111-K114 PolarHBondContact O-N 3.49Å; N111-L115 PolarHBondContact O-N 3.3Å; N111-L115 VanDerWaalsContact O-N 3.07Å; N111-L170 HydrophobicContact CB-CD1 4.49Å
112W81.8Confident79.1Confident19 Ų1965.7 Ų65.77%0.07230%0.296CS..Hα-helixtrans-57-35.8179.772.2-97.2000113.5L108 R110 K114 L115 G116 L126 I129 A130 T140 L144L108-W112 HydrophobicContact CD2-CB 3.43Å; L108-W112 VanDerWaalsContact CD2-CB 3.43Å; L108-W112 HydrophobicContact CG-CB 3.92Å; R110-W112 VanDerWaalsContact C-N 3.25Å; R110-W112 PolarHBondContact O-N 3.12Å; W112-K114 VanDerWaalsContact C-N 3.34Å; W112-K114 PolarHBondContact O-N 3.21Å; W112-L115 PolarHBondContact O-N 3.45Å; W112-G116 PolarHBondContact O-N 3.2Å; W112-L126 WeakPolarHBondContact CH2-O 3.31Å; W112-L126 HydrophobicContact CZ3-CD2 4.14Å; W112-I129 HydrophobicContact CH2-CB 4.21Å; W112-I129 HydrophobicContact CH2-CG2 3.93Å; W112-I129 HydrophobicContact CZ3-CB 4.13Å; W112-I129 HydrophobicContact CZ3-CG2 3.8Å; W112-A130 HydrophobicContact CH2-CB 3.79Å; W112-A130 HydrophobicContact CZ2-CB 3.93Å; W112-T140 HydrophobicContact CB-CG2 4.47Å; W112-T140 HydrophobicContact CD2-CG2 3.3Å; W112-T140 HydrophobicContact CE3-CG2 3.67Å; W112-T140 HydrophobicContact CG-CG2 3.69Å; W112-T140 HydrophobicContact CH2-CG2 3.94Å; W112-T140 HydrophobicContact CZ2-CG2 3.62Å; W112-T140 HydrophobicContact CZ3-CG2 3.98Å; W112-L144 HydrophobicContact CE3-CD1 3.69Å; W112-L144 HydrophobicContact CZ3-CD1 4.36Å; W112-L144 VanDerWaalsContact O-CD1 3.26Å; W112-L144 WeakPolarHBondContact O-CD1 3.26Å
113R81.8Confident79.2Confident128 Ų12867.7 Ų67.748%0.48331%0.306SS..Hα-helixtrans-63.8-39.9175.9-75.6-174.8163.5167.3-9.2112.3N111 G116 R117N111-R113 VanDerWaalsContact C-N 3.27Å; N111-R113 PolarHBondContact O-N 3.23Å; R113-G116 PolarHBondContact O-N 3.49Å; R113-R117 PolarHBondContact O-N 3.22Å; R113-R117 VanDerWaalsContact O-N 3.15Å
114K83.1Confident79.5Confident89 Ų8973.3 Ų73.339%0.38734%0.34SS..Hα-helixtrans-67.3-43.2178.2-166179.9-179.7-176.70110.3N111 W112 R117 K118N111-K114 WeakPolarHBondContact O-CB 3.29Å; N111-K114 PolarHBondContact O-N 3.49Å; W112-K114 VanDerWaalsContact C-N 3.34Å; W112-K114 PolarHBondContact O-N 3.21Å; K114-R117 PolarHBondContact O-N 3.01Å; K114-K118 WeakPolarHBondContact O-CG 3.13Å; K114-K118 PolarHBondContact O-N 3Å
115L83.1Confident79.6Confident0 Ų076.8 Ų76.80%036%0.355CS..Hα-helixtrans-61.4-45.1174-175.365.6000111.4I104 L108 N111 W112 R117 K118 L119 L144 A164 L165 C168I104-L115 HydrophobicContact CG2-CD2 4.46Å; L108-L115 HydrophobicContact CD1-CB 4.12Å; L108-L115 HydrophobicContact CD1-CD2 3.5Å; L108-L115 HydrophobicContact CD1-CG 4.41Å; L108-L115 HydrophobicContact CD2-CD2 4.12Å; L108-L115 HydrophobicContact CG-CD2 4.49Å; N111-L115 PolarHBondContact O-N 3.3Å; N111-L115 VanDerWaalsContact O-N 3.07Å; W112-L115 PolarHBondContact O-N 3.45Å; L115-R117 PolarHBondContact O-N 3.41Å; L115-K118 WeakPolarHBondContact O-CB 3.25Å; L115-K118 PolarHBondContact O-N 3.42Å; L115-K118 VanDerWaalsContact O-N 3.08Å; L115-L119 HydrophobicContact CD1-CD1 4.28Å; L115-L119 HydrophobicContact CD1-CG 4.22Å; L115-L119 HydrophobicContact CD2-CD1 4.29Å; L115-L119 HydrophobicContact CG-CD1 3.85Å; L115-L119 HydrophobicContact CG-CG 4.19Å; L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 WeakPolarHBondContact O-CG 3.48Å; L115-L119 PolarHBondContact O-N 3.41Å; L115-L144 HydrophobicContact CD2-CD2 4.22Å; L115-A164 HydrophobicContact CD1-CB 3.85Å; L115-L165 HydrophobicContact CD1-CD2 4.04Å; L115-L165 HydrophobicContact CD1-CG 4.31Å; L115-L165 HydrophobicContact CD2-CD2 4.08Å; L115-C168 VanDerWaalsContact CA-SG 3.54Å
116G83.9Confident79.8Confident0 Ų074 Ų740%035%0.345CS..Hα-helixtrans-59.5-43.2179.900000113.7W112 R113 K118 L119 R120 L121W112-G116 PolarHBondContact O-N 3.2Å; R113-G116 PolarHBondContact O-N 3.49Å; G116-K118 VanDerWaalsContact C-N 3.33Å; G116-K118 PolarHBondContact O-N 2.88Å; G116-L119 PolarHBondContact O-N 3.49Å; G116-R120 PolarHBondContact O-N 3.04Å; G116-L121 WeakPolarHBondContact O-CB 3.32Å; G116-L121 PolarHBondContact O-N 3.05Å
117R84.9Confident80.1Confident159 Ų15974.7 Ų74.760%0.635%0.349SS*.Hα-helixtrans-61.2-41.5173.7-72.6179.6173.3170.4-2.7112R113 K114 L115 R120 E123 L126R113-R117 PolarHBondContact O-N 3.22Å; R113-R117 VanDerWaalsContact O-N 3.15Å; K114-R117 PolarHBondContact O-N 3.01Å; L115-R117 PolarHBondContact O-N 3.41Å; R117-R120 PolarHBondContact O-N 3.48Å; R117-R120 VanDerWaalsContact O-N 3.13Å; R117-E123 IonicContact CZ-OE1 2.86Å; R117-E123 IonicContact NE-OE1 2.76Å; R117-E123 PolarHBondContact NE-OE1 3.34Å; R117-E123 IonicContact NH2-OE1 3.42Å; R117-E123 PolarHBondContact NH2-OE1 3Å; R117-L126 HydrophobicContact CG-CD1 3.79Å
118K83.9Confident80.5Confident100 Ų10074.3 Ų74.344%0.43535%0.351SS..Hα-helixtrans-67.7-35.4177.8-74-69.6-171163.60112.9K114 L115 G116 R120 A164 D167K114-K118 WeakPolarHBondContact O-CG 3.13Å; K114-K118 PolarHBondContact O-N 3Å; L115-K118 WeakPolarHBondContact O-CB 3.25Å; L115-K118 PolarHBondContact O-N 3.42Å; L115-K118 VanDerWaalsContact O-N 3.08Å; G116-K118 VanDerWaalsContact C-N 3.33Å; G116-K118 PolarHBondContact O-N 2.88Å; K118-R120 PolarHBondContact O-N 3.3Å; K118-R120 VanDerWaalsContact O-N 3.16Å; K118-A164 HydrophobicContact CB-CB 4.29Å; K118-D167 HydrophobicContact CD-CB 4.2Å; K118-D167 IonicContact NZ-OD2 3.96Å; K118-D167 PolarHBondContact NZ-OD2 2.87Å
119L82.1Confident80.9Confident10 Ų1074.8 Ų74.85%0.05235%0.353CS..THydrogen-bonded Turntrans-73.94.7172.9-67.3179.9000113.5L115 G116 L121 L144 W148 L161 A164L115-L119 HydrophobicContact CD1-CD1 4.28Å; L115-L119 HydrophobicContact CD1-CG 4.22Å; L115-L119 HydrophobicContact CD2-CD1 4.29Å; L115-L119 HydrophobicContact CG-CD1 3.85Å; L115-L119 HydrophobicContact CG-CG 4.19Å; L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 WeakPolarHBondContact O-CG 3.48Å; L115-L119 PolarHBondContact O-N 3.41Å; G116-L119 PolarHBondContact O-N 3.49Å; L119-L121 VanDerWaalsContact C-N 3.27Å; L119-L121 PolarHBondContact O-N 3.44Å; L119-L144 HydrophobicContact CD1-CD2 4.01Å; L119-W148 HydrophobicContact CB-CG 4.23Å; L119-W148 HydrophobicContact CD1-CB 4.44Å; L119-W148 HydrophobicContact CD1-CD2 4.15Å; L119-W148 HydrophobicContact CD1-CG 4Å; L119-W148 HydrophobicContact CD2-CD2 4.37Å; L119-W148 HydrophobicContact CD2-CZ2 4.04Å; L119-L161 HydrophobicContact CD1-CD1 4.17Å; L119-L161 HydrophobicContact CD2-CD1 4.18Å; L119-A164 HydrophobicContact CD2-CB 3.58Å; L119-A164 HydrophobicContact CG-CB 4.25Å
120R79.9Confident81.2Confident209 Ų20974.2 Ų74.279%0.78935%0.346SS*.THydrogen-bonded Turntrans58.833.4-177.6-55.6-156.2-179.5-160.21.8113.9G116 R117 K118G116-R120 PolarHBondContact O-N 3.04Å; R117-R120 PolarHBondContact O-N 3.48Å; R117-R120 VanDerWaalsContact O-N 3.13Å; K118-R120 PolarHBondContact O-N 3.3Å; K118-R120 VanDerWaalsContact O-N 3.16Å
121L79.9Confident81.3Confident8 Ų869 Ų694%0.04234%0.338CS..  trans-74.7130.5165.4-67.9169.1000109.2G116 L119 L126 L144 W148 I151G116-L121 WeakPolarHBondContact O-CB 3.32Å; G116-L121 PolarHBondContact O-N 3.05Å; L119-L121 VanDerWaalsContact C-N 3.27Å; L119-L121 PolarHBondContact O-N 3.44Å; L121-L126 HydrophobicContact CB-CD2 4.03Å; L121-L126 HydrophobicContact CB-CG 4.3Å; L121-L126 HydrophobicContact CD1-CD2 4.18Å; L121-L144 HydrophobicContact CD1-CD1 4.08Å; L121-L144 HydrophobicContact CD1-CD2 4.46Å; L121-L144 HydrophobicContact CD1-CG 3.74Å; L121-W148 HydrophobicContact CD1-CB 4.23Å; L121-W148 HydrophobicContact CD2-CB 4.3Å; L121-W148 HydrophobicContact CG-CB 4.48Å; L121-I151 HydrophobicContact CD2-CD1 3.38Å
122G80.4Confident81.1Confident39 Ų3974.3 Ų74.340%0.40235%0.352SS..  trans-63.8147177.200000112.1T124 K125 L126G122-T124 PolarHBondContact O-N 3.02Å; G122-K125 WeakPolarHBondContact O-CB 3.2Å; G122-K125 PolarHBondContact O-N 3.44Å; G122-L126 PolarHBondContact O-N 3.01Å
123E79.8Confident80.3Confident123 Ų12374.8 Ų74.858%0.57536%0.355SS*.Hα-helixtrans-59-33.6-176.8-64.9-159.8132.600112.9R117 K125 L126 D127R117-E123 IonicContact CZ-OE1 2.86Å; R117-E123 IonicContact NE-OE1 2.76Å; R117-E123 PolarHBondContact NE-OE1 3.34Å; R117-E123 IonicContact NH2-OE1 3.42Å; R117-E123 PolarHBondContact NH2-OE1 3Å; E123-K125 VanDerWaalsContact C-N 3.3Å; E123-K125 PolarHBondContact O-N 3.36Å; E123-L126 PolarHBondContact O-N 2.85Å; E123-D127 WeakPolarHBondContact O-CB 3.49Å; E123-D127 PolarHBondContact O-N 2.59Å
124T83.3Confident79.1Confident121 Ų12173.7 Ų73.774%0.74237%0.365SS*.Hα-helixtrans-60.1-37174.348.50000113.1G122 S128G122-T124 PolarHBondContact O-N 3.02Å; T124-S128 WeakPolarHBondContact O-CB 3.47Å; T124-S128 PolarHBondContact O-N 3.2Å
125K79.8Confident78.1Confident73 Ų7375.9 Ų75.932%0.31739%0.386SS..Hα-helixtrans-72.1-40.3175.1-68.2-166.4174.5-159.70111.4G122 E123 D127 S128 I129 E147 I151G122-K125 WeakPolarHBondContact O-CB 3.2Å; G122-K125 PolarHBondContact O-N 3.44Å; E123-K125 VanDerWaalsContact C-N 3.3Å; E123-K125 PolarHBondContact O-N 3.36Å; K125-D127 VanDerWaalsContact C-N 3.31Å; K125-D127 PolarHBondContact O-N 2.74Å; K125-S128 PolarHBondContact O-N 3.38Å; K125-I129 WeakPolarHBondContact O-CD1 3.35Å; K125-I129 VanDerWaalsContact O-CG1 3.24Å; K125-I129 WeakPolarHBondContact O-CG1 3.48Å; K125-I129 PolarHBondContact O-N 3.15Å; K125-E147 HydrophobicContact CD-CG 3.94Å; K125-E147 IonicContact NZ-OE1 2.74Å; K125-E147 PolarHBondContact NZ-OE1 3.3Å; K125-I151 HydrophobicContact CD-CD1 4.07Å
126L82.9Confident77.6Confident8 Ų879.2 Ų79.24%0.04240%0.403CS..Hα-helixtrans-64.5-38.4177.1-61.7175.8000111.6W112 R117 L121 G122 E123 I129 A130 L144W112-L126 WeakPolarHBondContact CH2-O 3.31Å; W112-L126 HydrophobicContact CZ3-CD2 4.14Å; R117-L126 HydrophobicContact CG-CD1 3.79Å; L121-L126 HydrophobicContact CB-CD2 4.03Å; L121-L126 HydrophobicContact CB-CG 4.3Å; L121-L126 HydrophobicContact CD1-CD2 4.18Å; G122-L126 PolarHBondContact O-N 3.01Å; E123-L126 PolarHBondContact O-N 2.85Å; L126-I129 PolarHBondContact O-N 3.36Å; L126-A130 PolarHBondContact O-N 3.16Å; L126-L144 HydrophobicContact CD2-CD1 4Å
127D82.7Confident77.2Confident100 Ų10082.4 Ų82.454%0.53542%0.42SS..Hα-helixtrans-67.7-43.2176.4-147.1-92.6000111.1E123 K125 I129 A130 T131E123-D127 WeakPolarHBondContact O-CB 3.49Å; E123-D127 PolarHBondContact O-N 2.59Å; K125-D127 VanDerWaalsContact C-N 3.31Å; K125-D127 PolarHBondContact O-N 2.74Å; D127-I129 VanDerWaalsContact C-N 3.3Å; D127-I129 PolarHBondContact O-N 2.67Å; D127-A130 WeakPolarHBondContact O-CB 3.37Å; D127-A130 PolarHBondContact O-N 3.16Å; D127-A130 VanDerWaalsContact O-N 3.14Å; D127-T131 PolarHBondContact O-N 3.45Å; D127-T131 PolarHBondContact O-OG1 3.08Å
128S82.3Confident76.6Confident48 Ų4879.7 Ų79.734%0.33641%0.414SS..Hα-helixtrans-61.6-35.4174.3-176.30000113.2T124 K125 T131 R132T124-S128 WeakPolarHBondContact O-CB 3.47Å; T124-S128 PolarHBondContact O-N 3.2Å; K125-S128 PolarHBondContact O-N 3.38Å; S128-T131 WeakPolarHBondContact CA-OG1 3.42Å; S128-T131 PolarHBondContact O-OG1 3.27Å; S128-R132 WeakPolarHBondContact O-CB 3.34Å; S128-R132 WeakPolarHBondContact O-CD 3.32Å; S128-R132 WeakPolarHBondContact O-CG 3.32Å; S128-R132 PolarHBondContact O-N 3.48Å
129I79.3Confident76.1Confident11 Ų1179.4 Ų79.46%0.05641%0.414CS..Hα-helixtrans-68.6-44.3175-68.3163000109.6W112 K125 L126 D127 T131 R132 Q133 T140 L144W112-I129 HydrophobicContact CH2-CB 4.21Å; W112-I129 HydrophobicContact CH2-CG2 3.93Å; W112-I129 HydrophobicContact CZ3-CB 4.13Å; W112-I129 HydrophobicContact CZ3-CG2 3.8Å; K125-I129 WeakPolarHBondContact O-CD1 3.35Å; K125-I129 VanDerWaalsContact O-CG1 3.24Å; K125-I129 WeakPolarHBondContact O-CG1 3.48Å; K125-I129 PolarHBondContact O-N 3.15Å; L126-I129 PolarHBondContact O-N 3.36Å; D127-I129 VanDerWaalsContact C-N 3.3Å; D127-I129 PolarHBondContact O-N 2.67Å; I129-T131 VanDerWaalsContact C-N 3.32Å; I129-T131 PolarHBondContact O-N 2.91Å; I129-R132 PolarHBondContact O-N 3.12Å; I129-Q133 PolarHBondContact O-N 3.47Å; I129-T140 HydrophobicContact CG2-CG2 3.85Å; I129-L144 HydrophobicContact CD1-CB 4.44Å
130A78.7Confident76Confident19 Ų1979 Ų7916%0.15741%0.413CS..Hα-helixtrans-63-35.3178.400000113.3W112 L126 D127W112-A130 HydrophobicContact CH2-CB 3.79Å; W112-A130 HydrophobicContact CZ2-CB 3.93Å; L126-A130 PolarHBondContact O-N 3.16Å; D127-A130 WeakPolarHBondContact O-CB 3.37Å; D127-A130 PolarHBondContact O-N 3.16Å; D127-A130 VanDerWaalsContact O-N 3.14Å
131T77.2Confident75.9Confident105 Ų10569.1 Ų69.164%0.64438%0.375SS*.Hα-helixtrans-75.1-30.1176.617.40000112.6D127 S128 I129D127-T131 PolarHBondContact O-N 3.45Å; D127-T131 PolarHBondContact O-OG1 3.08Å; S128-T131 WeakPolarHBondContact CA-OG1 3.42Å; S128-T131 PolarHBondContact O-OG1 3.27Å; I129-T131 VanDerWaalsContact C-N 3.32Å; I129-T131 PolarHBondContact O-N 2.91Å
132R71.9Confident75.7Confident191 Ų19171.5 Ų71.572%0.72139%0.387SS*.Hα-helixtrans-78.2-35.3178.9-76.2172.7-179.4-96.8-1.9112.9S128 I129S128-R132 WeakPolarHBondContact O-CB 3.34Å; S128-R132 WeakPolarHBondContact O-CD 3.32Å; S128-R132 WeakPolarHBondContact O-CG 3.32Å; S128-R132 PolarHBondContact O-N 3.48Å; I129-R132 PolarHBondContact O-N 3.12Å
133Q64.6Low75.6Confident29 Ų2972.1 Ų72.114%0.13638%0.379CS..  trans-136.376.1-174.6-71.8175.6-12.200111.7I129 E139 T140I129-Q133 PolarHBondContact O-N 3.47Å; Q133-E139 PolarHBondContact NE2-OE1 2.79Å; Q133-E139 PolarHBondContact NE2-OE2 3.3Å; Q133-E139 PolarHBondContact OE1-O 3.06Å; Q133-E139 VanDerWaalsContact OE1-O 3.1Å; Q133-T140 PolarHBondContact O-OG1 3.39Å; Q133-T140 VanDerWaalsContact O-OG1 3.07Å
134P58.3Low75.7Confident106 Ų10666.2 Ų66.269%0.68835%0.352SS*.SBendtrans-76.4-23.2-175.727.1-32.7000114.5
135T61.2Low75.4Confident135 Ų13560.8 Ų60.883%0.82832%0.318SS*.SBendtrans-111.7-22-167.4-0.70000114.4
136D73.4Confident75.3Confident69 Ų6962 Ų6237%0.36932%0.323SS..  trans-106.8103.5-176.6-165-30.2000110.9E138 E139 T140D136-E138 VanDerWaalsContact C-N 3.3Å; D136-E138 WeakPolarHBondContact OD1-CA 3.46Å; D136-E138 WeakPolarHBondContact OD1-CB 3.48Å; D136-E138 PolarHBondContact OD1-N 3.04Å; D136-E139 HydrophobicContact CB-CB 3.87Å; D136-E139 PolarHBondContact OD1-N 2.86Å; D136-T140 VanDerWaalsContact O-CB 3.24Å; D136-T140 WeakPolarHBondContact O-CB 3.49Å; D136-T140 PolarHBondContact O-N 3.36Å; D136-T140 PolarHBondContact O-OG1 2.91Å
137L74.4Confident75.1Confident67 Ų6763.4 Ų63.435%0.35133%0.33SS..Hα-helixtrans-70.8-27.8179.4-65.2172.3000112.3R110 A141R110-L137 HydrophobicContact CG-CD1 4.1Å; R110-L137 HydrophobicContact CG-CD2 4.2Å; L137-A141 WeakPolarHBondContact O-CB 3.24Å; L137-A141 PolarHBondContact O-N 2.7Å; L137-A141 VanDerWaalsContact O-N 3.12Å
138E72.8Confident74.9Confident102 Ų10258.9 Ų58.948%0.47731%0.305SS..Hα-helixtrans-73.4-47.4178.1-67-173.7-168.300110.1R105 D136 T140 A141 M142R105-E138 HydrophobicContact CG-CB 3.48Å; R105-E138 VanDerWaalsContact CG-CB 3.48Å; R105-E138 HydrophobicContact CG-CG 3.83Å; D136-E138 VanDerWaalsContact C-N 3.3Å; D136-E138 WeakPolarHBondContact OD1-CA 3.46Å; D136-E138 WeakPolarHBondContact OD1-CB 3.48Å; D136-E138 PolarHBondContact OD1-N 3.04Å; E138-T140 VanDerWaalsContact C-N 3.32Å; E138-T140 PolarHBondContact O-N 3.14Å; E138-A141 WeakPolarHBondContact O-CB 3.36Å; E138-A141 PolarHBondContact O-N 3.36Å; E138-M142 WeakPolarHBondContact O-CG 3.22Å; E138-M142 PolarHBondContact O-N 3.49Å; E138-M142 VanDerWaalsContact O-N 3.08Å
139E73.9Confident74.5Confident94 Ų9460.1 Ų60.144%0.43930%0.302SS..Hα-helixtrans-65.9-39.3177.9-145.3-177.5168.500111.2Q133 D136 A141 M142 E143Q133-E139 PolarHBondContact NE2-OE1 2.79Å; Q133-E139 PolarHBondContact NE2-OE2 3.3Å; Q133-E139 PolarHBondContact OE1-O 3.06Å; Q133-E139 VanDerWaalsContact OE1-O 3.1Å; D136-E139 HydrophobicContact CB-CB 3.87Å; D136-E139 PolarHBondContact OD1-N 2.86Å; E139-A141 VanDerWaalsContact C-N 3.32Å; E139-A141 PolarHBondContact O-N 2.84Å; E139-M142 WeakPolarHBondContact O-CB 3.46Å; E139-M142 PolarHBondContact O-N 3.18Å; E139-M142 VanDerWaalsContact O-N 3.14Å; E139-E143 PolarHBondContact O-N 2.96Å
140T79.5Confident74.2Confident3 Ų366.5 Ų66.52%0.01833%0.33CS..Hα-helixtrans-59.7-41.9174.7-63.60000112.1W112 I129 Q133 D136 E138 L144W112-T140 HydrophobicContact CB-CG2 4.47Å; W112-T140 HydrophobicContact CD2-CG2 3.3Å; W112-T140 HydrophobicContact CE3-CG2 3.67Å; W112-T140 HydrophobicContact CG-CG2 3.69Å; W112-T140 HydrophobicContact CH2-CG2 3.94Å; W112-T140 HydrophobicContact CZ2-CG2 3.62Å; W112-T140 HydrophobicContact CZ3-CG2 3.98Å; I129-T140 HydrophobicContact CG2-CG2 3.85Å; Q133-T140 PolarHBondContact O-OG1 3.39Å; Q133-T140 VanDerWaalsContact O-OG1 3.07Å; D136-T140 VanDerWaalsContact O-CB 3.24Å; D136-T140 WeakPolarHBondContact O-CB 3.49Å; D136-T140 PolarHBondContact O-N 3.36Å; D136-T140 PolarHBondContact O-OG1 2.91Å; E138-T140 VanDerWaalsContact C-N 3.32Å; E138-T140 PolarHBondContact O-N 3.14Å; T140-L144 VanDerWaalsContact O-CB 3.32Å; T140-L144 WeakPolarHBondContact O-CB 3.12Å; T140-L144 PolarHBondContact O-N 3.4Å
141A78.3Confident73.8Confident0 Ų069.8 Ų69.80%034%0.344CS..Hα-helixtrans-63.7-42176.200000111.6L108 L137 E138 E139 L145L108-A141 HydrophobicContact CB-CB 4.31Å; L108-A141 HydrophobicContact CD2-CB 3.5Å; L108-A141 VanDerWaalsContact CD2-CB 3.5Å; L137-A141 WeakPolarHBondContact O-CB 3.24Å; L137-A141 PolarHBondContact O-N 2.7Å; L137-A141 VanDerWaalsContact O-N 3.12Å; E138-A141 WeakPolarHBondContact O-CB 3.36Å; E138-A141 PolarHBondContact O-N 3.36Å; E139-A141 VanDerWaalsContact C-N 3.32Å; E139-A141 PolarHBondContact O-N 2.84Å; A141-L145 WeakPolarHBondContact O-CG 3.44Å; A141-L145 PolarHBondContact O-N 3.17Å; A141-L145 VanDerWaalsContact O-N 3.12Å
142M75.4Confident73.3Confident58 Ų5868.7 Ų68.729%0.28633%0.328SS..Hα-helixtrans-64-46.4177.4-68.7-73.2-6900111.6T101 R105 E138 E139 L145 K146T101-M142 HydrophobicContact CG2-CE 4.19Å; T101-M142 HydrophobicContact CG2-SD 3.31Å; T101-M142 WeakPolarHBondContact CG2-SD 3.42Å; R105-M142 HydrophobicContact CB-SD 4.48Å; R105-M142 HydrophobicContact CG-CG 4.34Å; E138-M142 WeakPolarHBondContact O-CG 3.22Å; E138-M142 PolarHBondContact O-N 3.49Å; E138-M142 VanDerWaalsContact O-N 3.08Å; E139-M142 WeakPolarHBondContact O-CB 3.46Å; E139-M142 PolarHBondContact O-N 3.18Å; E139-M142 VanDerWaalsContact O-N 3.14Å; M142-L145 PolarHBondContact O-N 3.41Å; M142-K146 WeakPolarHBondContact O-CG 3.47Å; M142-K146 PolarHBondContact O-N 3.37Å
143E77.4Confident72.7Confident52 Ų5262 Ų6224%0.24332%0.318CS..Hα-helixtrans-67.4-38.7-177.9-158.464.3-162.700111.6E139 L145 K146 E147E139-E143 PolarHBondContact O-N 2.96Å; E143-L145 PolarHBondContact O-N 3.26Å; E143-K146 PolarHBondContact O-N 2.88Å; E143-K146 WeakPolarHBondContact OE2-CD 3.37Å; E143-K146 IonicContact OE2-NZ 2.8Å; E143-K146 PolarHBondContact OE2-NZ 3.49Å; E143-E147 WeakPolarHBondContact O-CB 3.5Å; E143-E147 PolarHBondContact O-N 3.17Å
144L82.3Confident72.3Confident0 Ų064.3 Ų64.30%034%0.336CS..Hα-helixtrans-58.2-46.5171.8176.1139.1000112.1W112 L115 L119 L121 L126 I129 T140 E147 W148W112-L144 HydrophobicContact CE3-CD1 3.69Å; W112-L144 HydrophobicContact CZ3-CD1 4.36Å; W112-L144 VanDerWaalsContact O-CD1 3.26Å; W112-L144 WeakPolarHBondContact O-CD1 3.26Å; L115-L144 HydrophobicContact CD2-CD2 4.22Å; L119-L144 HydrophobicContact CD1-CD2 4.01Å; L121-L144 HydrophobicContact CD1-CD1 4.08Å; L121-L144 HydrophobicContact CD1-CD2 4.46Å; L121-L144 HydrophobicContact CD1-CG 3.74Å; L126-L144 HydrophobicContact CD2-CD1 4Å; I129-L144 HydrophobicContact CD1-CB 4.44Å; T140-L144 VanDerWaalsContact O-CB 3.32Å; T140-L144 WeakPolarHBondContact O-CB 3.12Å; T140-L144 PolarHBondContact O-N 3.4Å; L144-E147 PolarHBondContact O-N 3.37Å; L144-W148 WeakPolarHBondContact O-CB 3.15Å; L144-W148 PolarHBondContact O-N 2.82Å
145L77.8Confident72.1Confident6 Ų668 Ų683%0.03134%0.343CS..Hα-helixtrans-69-37.8179.6-71171.6000112T101 I104 A141 M142 E143 W148 R149 L161T101-L145 HydrophobicContact CG2-CB 4.29Å; T101-L145 HydrophobicContact CG2-CD1 3.4Å; T101-L145 VanDerWaalsContact CG2-CD1 3.4Å; T101-L145 HydrophobicContact CG2-CG 4.49Å; I104-L145 HydrophobicContact CB-CD1 4.18Å; I104-L145 HydrophobicContact CD1-CD1 4.11Å; I104-L145 HydrophobicContact CD1-CD2 4.32Å; I104-L145 HydrophobicContact CG2-CD1 3.95Å; A141-L145 WeakPolarHBondContact O-CG 3.44Å; A141-L145 PolarHBondContact O-N 3.17Å; A141-L145 VanDerWaalsContact O-N 3.12Å; M142-L145 PolarHBondContact O-N 3.41Å; E143-L145 PolarHBondContact O-N 3.26Å; L145-W148 HydrophobicContact CD2-CE3 4.38Å; L145-W148 PolarHBondContact O-N 3.48Å; L145-R149 VanDerWaalsContact O-CB 3.24Å; L145-R149 WeakPolarHBondContact O-CB 3.34Å; L145-R149 PolarHBondContact O-N 2.83Å; L145-L161 HydrophobicContact CD2-CD1 3.82Å; L145-L161 HydrophobicContact CD2-CD2 4.39Å
146K77.3Confident72Confident99 Ų9965.4 Ų65.443%0.4333%0.328SS..Hα-helixtrans-59.9-46.1172.1-73.9177.7-160159.50111.5M142 E143 R149 K150M142-K146 WeakPolarHBondContact O-CG 3.47Å; M142-K146 PolarHBondContact O-N 3.37Å; E143-K146 PolarHBondContact O-N 2.88Å; E143-K146 WeakPolarHBondContact OE2-CD 3.37Å; E143-K146 IonicContact OE2-NZ 2.8Å; E143-K146 PolarHBondContact OE2-NZ 3.49Å; K146-R149 WeakPolarHBondContact O-CB 3.21Å; K146-R149 PolarHBondContact O-N 3Å; K146-K150 WeakPolarHBondContact O-CG 3.49Å; K146-K150 PolarHBondContact O-N 3.38Å; K146-K150 VanDerWaalsContact O-N 3.08Å
147E77.9Confident71.6Confident38 Ų3862.4 Ų62.418%0.17831%0.311CS..Hα-helixtrans-70.6-38.3-177.3-16458.6-155.900111.4K125 E143 L144 R149 K150 I151K125-E147 HydrophobicContact CD-CG 3.94Å; K125-E147 IonicContact NZ-OE1 2.74Å; K125-E147 PolarHBondContact NZ-OE1 3.3Å; E143-E147 WeakPolarHBondContact O-CB 3.5Å; E143-E147 PolarHBondContact O-N 3.17Å; L144-E147 PolarHBondContact O-N 3.37Å; E147-R149 VanDerWaalsContact C-N 3.35Å; E147-R149 PolarHBondContact O-N 3.27Å; E147-K150 PolarHBondContact O-N 2.99Å; E147-K150 WeakPolarHBondContact OE2-CD 3.1Å; E147-K150 IonicContact OE2-NZ 3.82Å; E147-K150 PolarHBondContact OE2-NZ 3.44Å; E147-I151 WeakPolarHBondContact O-CD1 3.37Å; E147-I151 VanDerWaalsContact O-CG1 3.3Å; E147-I151 WeakPolarHBondContact O-CG1 3.46Å; E147-I151 PolarHBondContact O-N 2.78Å
148W78.3Confident71.4Confident4 Ų460.3 Ų60.32%0.01530%0.301CS..Hα-helixtrans-61.5-42.2171.6175.968.9000112.4L97 L119 L121 L144 L145 K150 I151 R152 Q157 L161L97-W148 HydrophobicContact CD1-CZ3 4.15Å; L119-W148 HydrophobicContact CB-CG 4.23Å; L119-W148 HydrophobicContact CD1-CB 4.44Å; L119-W148 HydrophobicContact CD1-CD2 4.15Å; L119-W148 HydrophobicContact CD1-CG 4Å; L119-W148 HydrophobicContact CD2-CD2 4.37Å; L119-W148 HydrophobicContact CD2-CZ2 4.04Å; L121-W148 HydrophobicContact CD1-CB 4.23Å; L121-W148 HydrophobicContact CD2-CB 4.3Å; L121-W148 HydrophobicContact CG-CB 4.48Å; L144-W148 WeakPolarHBondContact O-CB 3.15Å; L144-W148 PolarHBondContact O-N 2.82Å; L145-W148 HydrophobicContact CD2-CE3 4.38Å; L145-W148 PolarHBondContact O-N 3.48Å; W148-K150 VanDerWaalsContact C-N 3.31Å; W148-K150 PolarHBondContact O-N 2.84Å; W148-I151 PolarHBondContact O-N 3.01Å; W148-I151 VanDerWaalsContact O-N 3.12Å; W148-R152 PolarHBondContact O-N 3.42Å; W148-Q157 HydrophobicContact CH2-CB 3.72Å; W148-Q157 HydrophobicContact CH2-CG 4.15Å; W148-Q157 VanDerWaalsContact CH2-O 3.31Å; W148-Q157 WeakPolarHBondContact CH2-O 3.48Å; W148-Q157 HydrophobicContact CZ3-CB 4.08Å; W148-Q157 HydrophobicContact CZ3-CG 4.42Å; W148-L161 HydrophobicContact CH2-CB 4.02Å; W148-L161 HydrophobicContact CZ3-CB 4.46Å; W148-L161 HydrophobicContact CZ3-CD1 4.37Å; W148-L161 HydrophobicContact CZ3-CD2 4.42Å
149R75.1Confident71.5Confident75 Ų7564.1 Ų64.128%0.28332%0.316SS..Hα-helixtrans-62.9-33175.8-174.3-160.3-178.411558113.2Q94 L97 L145 K146 E147 I151Q94-R149 VanDerWaalsContact CD-NH2 3.31Å; Q94-R149 VanDerWaalsContact NE2-CZ 3.33Å; L97-R149 HydrophobicContact CD2-CG 4.5Å; L145-R149 VanDerWaalsContact O-CB 3.24Å; L145-R149 WeakPolarHBondContact O-CB 3.34Å; L145-R149 PolarHBondContact O-N 2.83Å; K146-R149 WeakPolarHBondContact O-CB 3.21Å; K146-R149 PolarHBondContact O-N 3Å; E147-R149 VanDerWaalsContact C-N 3.35Å; E147-R149 PolarHBondContact O-N 3.27Å; R149-I151 VanDerWaalsContact C-N 3.28Å; R149-I151 PolarHBondContact O-N 3.42Å
150K73.1Confident71.8Confident145 Ų14562.8 Ų62.863%0.6331%0.31SS*.Hα-helixtrans-68.4-30175.2-71.8173.7-166.7162.20112.3K146 E147 W148K146-K150 WeakPolarHBondContact O-CG 3.49Å; K146-K150 PolarHBondContact O-N 3.38Å; K146-K150 VanDerWaalsContact O-N 3.08Å; E147-K150 PolarHBondContact O-N 2.99Å; E147-K150 WeakPolarHBondContact OE2-CD 3.1Å; E147-K150 IonicContact OE2-NZ 3.82Å; E147-K150 PolarHBondContact OE2-NZ 3.44Å; W148-K150 VanDerWaalsContact C-N 3.31Å; W148-K150 PolarHBondContact O-N 2.84Å
151I69.4Low71.8Confident88 Ų8862.7 Ų62.745%0.45131%0.31SS..Hα-helixtrans-89.2-29.6-176.6-57.7161.8000111.2L121 K125 E147 W148 R149L121-I151 HydrophobicContact CD2-CD1 3.38Å; K125-I151 HydrophobicContact CD-CD1 4.07Å; E147-I151 WeakPolarHBondContact O-CD1 3.37Å; E147-I151 VanDerWaalsContact O-CG1 3.3Å; E147-I151 WeakPolarHBondContact O-CG1 3.46Å; E147-I151 PolarHBondContact O-N 2.78Å; W148-I151 PolarHBondContact O-N 3.01Å; W148-I151 VanDerWaalsContact O-N 3.12Å; R149-I151 VanDerWaalsContact C-N 3.28Å; R149-I151 PolarHBondContact O-N 3.42Å
152R67.1Low71.9Confident82 Ų8263.8 Ų63.831%0.30932%0.315SS..SBendtrans-114.4125.4-178.1-70.9-118.7174.3-170.7-3.8111.7W148 Q157 E160W148-R152 PolarHBondContact O-N 3.42Å; R152-Q157 PolarHBondContact O-NE2 3.16Å; R152-E160 IonicContact CZ-OE1 2.79Å; R152-E160 IonicContact CZ-OE2 2.89Å; R152-E160 IonicContact NE-OE2 2.74Å; R152-E160 IonicContact NH1-OE1 3.3Å; R152-E160 PolarHBondContact NH1-OE1 3.34Å; R152-E160 IonicContact NH1-OE2 3.36Å; R152-E160 PolarHBondContact NH1-OE2 3.34Å
153G59.5Low72.3Confident50 Ų5063.6 Ų63.652%0.51532%0.322SS..  trans-61.1161.5179.100000114.7E155 Q157G153-E155 VanDerWaalsContact C-N 3.29Å; G153-E155 PolarHBondContact O-N 2.88Å; G153-E155 VanDerWaalsContact O-N 3.15Å; G153-Q157 VanDerWaalsContact O-CG 3.22Å; G153-Q157 WeakPolarHBondContact O-CG 3.49Å; G153-Q157 PolarHBondContact O-NE2 2.99Å; G153-Q157 VanDerWaalsContact O-NE2 3.08Å
154P56.5Low72.6Confident78 Ų7861.5 Ų61.551%0.50631%0.314SS..THydrogen-bonded Turntrans-63.4-19.3-166.723.2-33.7000116.4
155E52.5Low72.7Confident182 Ų18261.5 Ų61.585%0.8531%0.314SS*.THydrogen-bonded Turntrans-83.4-26.5-167.3-70.2-177.2156.600115.1G153G153-E155 VanDerWaalsContact C-N 3.29Å; G153-E155 PolarHBondContact O-N 2.88Å; G153-E155 VanDerWaalsContact O-N 3.15Å
156V59.8Low73Confident82 Ų8266.6 Ų66.650%0.49733%0.333SS..SBendtrans-101.3-2.3-168.8-165.10000112.8E160V156-E160 VanDerWaalsContact CG1-CD 3.43Å; V156-E160 HydrophobicContact CG1-CG 3.81Å
157Q65.4Low73.3Confident5 Ų566.4 Ų66.42%0.02334%0.337CS..Hα-helixtrans-71.3-47.8-153.5-61.7179.8-17.600114.4L97 W148 R152 G153 K159 L161L97-Q157 HydrophobicContact CD1-CB 3.71Å; W148-Q157 HydrophobicContact CH2-CB 3.72Å; W148-Q157 HydrophobicContact CH2-CG 4.15Å; W148-Q157 VanDerWaalsContact CH2-O 3.31Å; W148-Q157 WeakPolarHBondContact CH2-O 3.48Å; W148-Q157 HydrophobicContact CZ3-CB 4.08Å; W148-Q157 HydrophobicContact CZ3-CG 4.42Å; R152-Q157 PolarHBondContact O-NE2 3.16Å; G153-Q157 VanDerWaalsContact O-CG 3.22Å; G153-Q157 WeakPolarHBondContact O-CG 3.49Å; G153-Q157 PolarHBondContact O-NE2 2.99Å; G153-Q157 VanDerWaalsContact O-NE2 3.08Å; Q157-K159 PolarHBondContact O-N 3.24Å; Q157-L161 WeakPolarHBondContact O-CB 3.19Å; Q157-L161 PolarHBondContact O-N 3.43Å
158T71.2Confident73.4Confident23 Ų2364.7 Ų64.714%0.14133%0.329CS..Hα-helixtrans-70.3-39.3-169.4-42.10000113.7K96 L161 I162 L181K96-T158 HydrophobicContact CB-CG2 4.49Å; T158-L161 PolarHBondContact O-N 3.04Å; T158-I162 HydrophobicContact CG2-CD1 4.1Å; T158-I162 VanDerWaalsContact O-CG1 3.26Å; T158-I162 WeakPolarHBondContact O-CG1 3.48Å; T158-I162 PolarHBondContact O-N 3.08Å; T158-L181 HydrophobicContact CG2-CD1 3.63Å
159K74.9Confident73.4Confident183 Ų18371.8 Ų71.880%0.79636%0.362SS*.Hα-helixtrans-72.2-41.9-177.8-67.3-175.7-179.51800112.2Q157 L161 I162 A163Q157-K159 PolarHBondContact O-N 3.24Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-I162 PolarHBondContact O-N 3.26Å; K159-A163 WeakPolarHBondContact O-CB 3.49Å; K159-A163 PolarHBondContact O-N 2.92Å
160E78.3Confident73.6Confident66 Ų6669 Ų6931%0.30835%0.353SS..Hα-helixtrans-64.7-37.4174.5-78.6-171.7153.800111.7R152 V156 A163 A164R152-E160 IonicContact CZ-OE1 2.79Å; R152-E160 IonicContact CZ-OE2 2.89Å; R152-E160 IonicContact NE-OE2 2.74Å; R152-E160 IonicContact NH1-OE1 3.3Å; R152-E160 PolarHBondContact NH1-OE1 3.34Å; R152-E160 IonicContact NH1-OE2 3.36Å; R152-E160 PolarHBondContact NH1-OE2 3.34Å; V156-E160 VanDerWaalsContact CG1-CD 3.43Å; V156-E160 HydrophobicContact CG1-CG 3.81Å; E160-A163 PolarHBondContact O-N 2.76Å; E160-A164 WeakPolarHBondContact O-CB 3.29Å; E160-A164 PolarHBondContact O-N 2.98Å
161L80Confident73.9Confident1 Ų165.9 Ų65.91%0.00534%0.343CS..Hα-helixtrans-64.3-45.5176.2-174.162000111.8L97 A100 I104 L119 L145 W148 Q157 T158 K159 A163 A164 L165L97-L161 HydrophobicContact CD1-CD2 4.12Å; A100-L161 HydrophobicContact CB-CD2 4Å; I104-L161 HydrophobicContact CD1-CD1 3.95Å; I104-L161 HydrophobicContact CD1-CD2 3.65Å; I104-L161 HydrophobicContact CD1-CG 3.9Å; L119-L161 HydrophobicContact CD1-CD1 4.17Å; L119-L161 HydrophobicContact CD2-CD1 4.18Å; L145-L161 HydrophobicContact CD2-CD1 3.82Å; L145-L161 HydrophobicContact CD2-CD2 4.39Å; W148-L161 HydrophobicContact CH2-CB 4.02Å; W148-L161 HydrophobicContact CZ3-CB 4.46Å; W148-L161 HydrophobicContact CZ3-CD1 4.37Å; W148-L161 HydrophobicContact CZ3-CD2 4.42Å; Q157-L161 WeakPolarHBondContact O-CB 3.19Å; Q157-L161 PolarHBondContact O-N 3.43Å; T158-L161 PolarHBondContact O-N 3.04Å; K159-L161 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 3.22Å; L161-A164 PolarHBondContact O-N 3.49Å; L161-L165 HydrophobicContact CG-CD1 4.45Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3.28Å
162I80.7Confident74.4Confident23 Ų2368.1 Ų68.112%0.11836%0.356CS..Hα-helixtrans-61.8-43.2175.9-69.9167.1000110.9T158 K159 L165 R166 A174 I177 L181T158-I162 HydrophobicContact CG2-CD1 4.1Å; T158-I162 VanDerWaalsContact O-CG1 3.26Å; T158-I162 WeakPolarHBondContact O-CG1 3.48Å; T158-I162 PolarHBondContact O-N 3.08Å; K159-I162 PolarHBondContact O-N 3.26Å; I162-L165 PolarHBondContact O-N 3.41Å; I162-R166 WeakPolarHBondContact O-CG 3.26Å; I162-R166 PolarHBondContact O-N 3.04Å; I162-A174 HydrophobicContact CG2-CB 4.27Å; I162-I177 HydrophobicContact CD1-CG2 4.29Å; I162-I177 HydrophobicContact CG1-CG2 4.27Å; I162-L181 HydrophobicContact CD1-CD1 4.36Å
163A83.8Confident75Confident53 Ų5364.5 Ų64.544%0.43834%0.342SS..Hα-helixtrans-62.1-45176.200000111.6K159 E160 L161 L165 R166 D167K159-A163 WeakPolarHBondContact O-CB 3.49Å; K159-A163 PolarHBondContact O-N 2.92Å; E160-A163 PolarHBondContact O-N 2.76Å; L161-A163 PolarHBondContact O-N 3.22Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 3.02Å; A163-R166 PolarHBondContact O-N 3.05Å; A163-D167 WeakPolarHBondContact O-CB 3.35Å; A163-D167 PolarHBondContact O-N 2.92Å
164A84.7Confident76.1Confident9 Ų962.1 Ų62.17%0.07432%0.318CS..Hα-helixtrans-63.3-36.1177.300000112.5L115 K118 L119 E160 L161 D167 C168L115-A164 HydrophobicContact CD1-CB 3.85Å; K118-A164 HydrophobicContact CB-CB 4.29Å; L119-A164 HydrophobicContact CD2-CB 3.58Å; L119-A164 HydrophobicContact CG-CB 4.25Å; E160-A164 WeakPolarHBondContact O-CB 3.29Å; E160-A164 PolarHBondContact O-N 2.98Å; L161-A164 PolarHBondContact O-N 3.49Å; A164-D167 WeakPolarHBondContact O-CB 3.41Å; A164-C168 WeakPolarHBondContact O-CB 3.48Å; A164-C168 PolarHBondContact O-N 3.48Å; A164-C168 PolarHBondContact O-SG 2.84Å
165L84.1Confident77.4Confident0 Ų062 Ų620%031%0.313CS..Hα-helixtrans-65.6-44.2174.7-74168.3000112.1I104 L115 L161 I162 A163 D167 C168 Q169 L170 T173 A174 I177I104-L165 HydrophobicContact CD1-CD1 3.96Å; I104-L165 HydrophobicContact CD1-CD2 4.44Å; I104-L165 HydrophobicContact CG1-CD1 4.02Å; I104-L165 HydrophobicContact CG1-CD2 4.2Å; L115-L165 HydrophobicContact CD1-CD2 4.04Å; L115-L165 HydrophobicContact CD1-CG 4.31Å; L115-L165 HydrophobicContact CD2-CD2 4.08Å; L161-L165 HydrophobicContact CG-CD1 4.45Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3.28Å; I162-L165 PolarHBondContact O-N 3.41Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 3.02Å; L165-D167 VanDerWaalsContact C-N 3.34Å; L165-D167 PolarHBondContact O-N 3.11Å; L165-C168 CarbonylContact O-C 3.59Å; L165-C168 WeakPolarHBondContact O-CA 3.47Å; L165-C168 WeakPolarHBondContact O-CB 3.29Å; L165-C168 PolarHBondContact O-N 3.3Å; L165-Q169 PolarHBondContact O-N 3.06Å; L165-L170 HydrophobicContact CB-CB 4.34Å; L165-L170 HydrophobicContact CD2-CB 4.09Å; L165-L170 HydrophobicContact CD2-CD1 3.72Å; L165-L170 WeakPolarHBondContact O-CB 3.05Å; L165-L170 PolarHBondContact O-N 2.83Å; L165-T173 HydrophobicContact CD2-CG2 4.5Å; L165-A174 HydrophobicContact CB-CB 4.1Å; L165-I177 HydrophobicContact CD1-CD1 3.38Å
166R84.3Confident78.7Confident112 Ų11257.7 Ų57.742%0.42329%0.291SS..Hα-helixtrans-61.9-42.8175.6-72-176.8173.1171.92.4111.8I162 A163 C168 Q169 N171 A174 D175I162-R166 WeakPolarHBondContact O-CG 3.26Å; I162-R166 PolarHBondContact O-N 3.04Å; A163-R166 PolarHBondContact O-N 3.05Å; R166-C168 PolarHBondContact O-N 3.4Å; R166-Q169 PolarHBondContact O-N 3.42Å; R166-N171 WeakPolarHBondContact CA-OD1 3.42Å; R166-A174 HydrophobicContact CG-CB 3.88Å; R166-D175 IonicContact NH2-OD1 3.88Å; R166-D175 PolarHBondContact NH2-OD1 3.32Å
167D82.9Confident79.6Confident96 Ų9653.8 Ų53.851%0.51327%0.268SS..Hα-helixtrans-60.5-26.3172-101.826.4000113.5K118 A163 A164 L165 Q169K118-D167 HydrophobicContact CD-CB 4.2Å; K118-D167 IonicContact NZ-OD2 3.96Å; K118-D167 PolarHBondContact NZ-OD2 2.87Å; A163-D167 WeakPolarHBondContact O-CB 3.35Å; A163-D167 PolarHBondContact O-N 2.92Å; A164-D167 WeakPolarHBondContact O-CB 3.41Å; L165-D167 VanDerWaalsContact C-N 3.34Å; L165-D167 PolarHBondContact O-N 3.11Å; D167-Q169 VanDerWaalsContact C-N 3.3Å
168C80.1Confident80.3Confident2 Ų257.1 Ų57.11%0.01428%0.283CS..THydrogen-bonded Turntrans-87.14.5175.8-68.30000113.6L115 A164 L165 R166 L170L115-C168 VanDerWaalsContact CA-SG 3.54Å; A164-C168 WeakPolarHBondContact O-CB 3.48Å; A164-C168 PolarHBondContact O-N 3.48Å; A164-C168 PolarHBondContact O-SG 2.84Å; L165-C168 CarbonylContact O-C 3.59Å; L165-C168 WeakPolarHBondContact O-CA 3.47Å; L165-C168 WeakPolarHBondContact O-CB 3.29Å; L165-C168 PolarHBondContact O-N 3.3Å; R166-C168 PolarHBondContact O-N 3.4Å; C168-L170 HydrophobicContact CB-CD1 4Å; C168-L170 HydrophobicContact CB-CG 4.16Å; C168-L170 PolarHBondContact O-N 3.35Å
169Q77.9Confident80.7Confident153 Ų15361.2 Ų61.272%0.71530%0.301SS*.THydrogen-bonded Turntrans63.818.3-171.6-60.4169.6-2800113.8L165 R166 D167 N171L165-Q169 PolarHBondContact O-N 3.06Å; R166-Q169 PolarHBondContact O-N 3.42Å; D167-Q169 VanDerWaalsContact C-N 3.3Å; Q169-N171 PolarHBondContact O-N 2.79Å; Q169-N171 VanDerWaalsContact O-N 3.16Å
170L79.3Confident80.7Confident17 Ų1756.3 Ų56.39%0.08928%0.279CS..  trans-90.349.6175.6-62.8169000110.2L108 N111 L165 C168 L172 T173 A174L108-L170 HydrophobicContact CD1-CD1 3.58Å; N111-L170 HydrophobicContact CB-CD1 4.49Å; L165-L170 HydrophobicContact CB-CB 4.34Å; L165-L170 HydrophobicContact CD2-CB 4.09Å; L165-L170 HydrophobicContact CD2-CD1 3.72Å; L165-L170 WeakPolarHBondContact O-CB 3.05Å; L165-L170 PolarHBondContact O-N 2.83Å; C168-L170 HydrophobicContact CB-CD1 4Å; C168-L170 HydrophobicContact CB-CG 4.16Å; C168-L170 PolarHBondContact O-N 3.35Å; L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.07Å; L170-T173 PolarHBondContact O-N 3.46Å; L170-A174 PolarHBondContact O-N 3.05Å
171N80.7Confident80.5Confident79 Ų7954.6 Ų54.642%0.42227%0.272SS..Hα-helixtrans-62-41.9-176.5-64.5-36.5000111.3R166 Q169 T173 A174 D175R166-N171 WeakPolarHBondContact CA-OD1 3.42Å; Q169-N171 PolarHBondContact O-N 2.79Å; Q169-N171 VanDerWaalsContact O-N 3.16Å; N171-T173 VanDerWaalsContact C-N 3.29Å; N171-T173 PolarHBondContact O-N 2.88Å; N171-A174 WeakPolarHBondContact O-CB 3.26Å; N171-A174 PolarHBondContact O-N 3.14Å; N171-A174 VanDerWaalsContact O-N 3.14Å; N171-D175 WeakPolarHBondContact O-CB 3.45Å; N171-D175 PolarHBondContact O-N 3.08Å
172L78.7Confident80Confident135 Ų13559.6 Ų59.671%0.70730%0.296SS*.Hα-helixtrans-59.2-40.2175.9-62.2175.4000112.3L170 K176L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.07Å; L172-K176 WeakPolarHBondContact O-CB 3.4Å; L172-K176 VanDerWaalsContact O-CG 3.28Å; L172-K176 WeakPolarHBondContact O-CG 3.41Å; L172-K176 PolarHBondContact O-N 3.47Å
173T80.2Confident79.4Confident5 Ų563.9 Ų63.93%0.03132%0.315CS..Hα-helixtrans-69.5-42.3176.9-47.60000110.6V103 I104 N107 L165 L170 N171 K176 I177V103-T173 HydrophobicContact CG1-CG2 3.97Å; I104-T173 HydrophobicContact CG1-CG2 4.16Å; N107-T173 HydrophobicContact CB-CG2 3.86Å; N107-T173 WeakPolarHBondContact CB-OG1 3.31Å; L165-T173 HydrophobicContact CD2-CG2 4.5Å; L170-T173 PolarHBondContact O-N 3.46Å; N171-T173 VanDerWaalsContact C-N 3.29Å; N171-T173 PolarHBondContact O-N 2.88Å; T173-K176 PolarHBondContact O-N 3.02Å; T173-I177 HydrophobicContact CG2-CD1 4.37Å; T173-I177 WeakPolarHBondContact O-CG1 3.32Å; T173-I177 PolarHBondContact O-N 3Å
174A83.1Confident78.5Confident0 Ų067.4 Ų67.40%032%0.32CS..Hα-helixtrans-61.3-4317600000112.3I162 L165 R166 L170 N171 I177 Q178I162-A174 HydrophobicContact CG2-CB 4.27Å; L165-A174 HydrophobicContact CB-CB 4.1Å; R166-A174 HydrophobicContact CG-CB 3.88Å; L170-A174 PolarHBondContact O-N 3.05Å; N171-A174 WeakPolarHBondContact O-CB 3.26Å; N171-A174 PolarHBondContact O-N 3.14Å; N171-A174 VanDerWaalsContact O-N 3.14Å; A174-I177 PolarHBondContact O-N 3.38Å; A174-Q178 PolarHBondContact O-N 3.02Å
175D82.8Confident77.1Confident75 Ų7568.8 Ų68.840%0.40134%0.336SS..Hα-helixtrans-70.6-40.9-180-63-24.7000111.1R166 N171 I177 Q178 E179R166-D175 IonicContact NH2-OD1 3.88Å; R166-D175 PolarHBondContact NH2-OD1 3.32Å; N171-D175 WeakPolarHBondContact O-CB 3.45Å; N171-D175 PolarHBondContact O-N 3.08Å; D175-I177 VanDerWaalsContact C-N 3.3Å; D175-I177 PolarHBondContact O-N 3.26Å; D175-Q178 PolarHBondContact O-N 3.42Å; D175-Q178 VanDerWaalsContact O-N 3.16Å; D175-E179 WeakPolarHBondContact O-CB 3.28Å; D175-E179 PolarHBondContact O-N 3.12Å
176K79.8Confident75.2Confident92 Ų9274.1 Ų74.140%0.436%0.364SS..Hα-helixtrans-58.9-39.5171.4-78.7178.3-175.9-179.10112.7V103 N107 L172 T173 K180V103-K176 HydrophobicContact CG1-CB 3.79Å; V103-K176 HydrophobicContact CG1-CD 4.35Å; N107-K176 PolarHBondContact OD1-NZ 3.1Å; L172-K176 WeakPolarHBondContact O-CB 3.4Å; L172-K176 VanDerWaalsContact O-CG 3.28Å; L172-K176 WeakPolarHBondContact O-CG 3.41Å; L172-K176 PolarHBondContact O-N 3.47Å; T173-K176 PolarHBondContact O-N 3.02Å; K176-K180 WeakPolarHBondContact O-CB 3.24Å; K176-K180 PolarHBondContact O-N 3.14Å
177I79.6Confident73.2Confident1 Ų172 Ų721%0.00537%0.367CS..Hα-helixtrans-63.7-49.2175.3-68.9170.1000109.3A100 V103 I104 I162 L165 T173 A174 D175 E179 K180 L181A100-I177 HydrophobicContact CB-CD1 3.93Å; A100-I177 HydrophobicContact CB-CG1 4.19Å; A100-I177 HydrophobicContact CB-CG2 3.75Å; V103-I177 HydrophobicContact CB-CG1 3.86Å; V103-I177 HydrophobicContact CG1-CG1 3.78Å; V103-I177 HydrophobicContact CG2-CG1 4.48Å; I104-I177 HydrophobicContact CD1-CD1 3.98Å; I104-I177 HydrophobicContact CG1-CD1 3.76Å; I162-I177 HydrophobicContact CD1-CG2 4.29Å; I162-I177 HydrophobicContact CG1-CG2 4.27Å; L165-I177 HydrophobicContact CD1-CD1 3.38Å; T173-I177 HydrophobicContact CG2-CD1 4.37Å; T173-I177 WeakPolarHBondContact O-CG1 3.32Å; T173-I177 PolarHBondContact O-N 3Å; A174-I177 PolarHBondContact O-N 3.38Å; D175-I177 VanDerWaalsContact C-N 3.3Å; D175-I177 PolarHBondContact O-N 3.26Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.2Å; I177-K180 PolarHBondContact O-N 3.38Å; I177-L181 HydrophobicContact CG2-CD1 3.65Å; I177-L181 HydrophobicContact CG2-CG 4.18Å; I177-L181 WeakPolarHBondContact O-CB 3.47Å; I177-L181 WeakPolarHBondContact O-CG 3.33Å; I177-L181 PolarHBondContact O-N 3.33Å
178Q79.4Confident71.3Confident74 Ų7471.3 Ų71.335%0.34637%0.369SS..Hα-helixtrans-60.3-43.6-179.9-166.6176.1-33.900111.8A174 D175 L181 E182A174-Q178 PolarHBondContact O-N 3.02Å; D175-Q178 PolarHBondContact O-N 3.42Å; D175-Q178 VanDerWaalsContact O-N 3.16Å; Q178-L181 WeakPolarHBondContact O-CB 3.38Å; Q178-L181 PolarHBondContact O-N 2.83Å; Q178-E182 PolarHBondContact NE2-OE1 2.98Å; Q178-E182 VanDerWaalsContact NE2-OE1 3.17Å; Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 WeakPolarHBondContact O-CG 3.44Å; Q178-E182 PolarHBondContact O-N 3.48Å
179E80.1Confident69.3Low109 Ų10974.3 Ų74.351%0.50939%0.39SS..Hα-helixtrans-62.6-48.1176.4-169.7-172.9-179.900112D175 I177 L181 E182 Q183D175-E179 WeakPolarHBondContact O-CB 3.28Å; D175-E179 PolarHBondContact O-N 3.12Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.2Å; E179-L181 VanDerWaalsContact C-N 3.26Å; E179-L181 PolarHBondContact O-N 3.01Å; E179-E182 PolarHBondContact O-N 3.37Å; E179-Q183 WeakPolarHBondContact O-CB 3.45Å; E179-Q183 WeakPolarHBondContact O-CG 3.44Å; E179-Q183 PolarHBondContact O-N 2.97Å; E179-Q183 PolarHBondContact OE1-NE2 3.26Å
180K74.5Confident67.6Low80 Ų8070.4 Ų70.435%0.34838%0.377SS..Hα-helixtrans-62.9-33.8175.9-79.5-161-180-179.20112.3I99 E102 V103 K176 I177 K184I99-K180 HydrophobicContact CG2-CB 3.58Å; I99-K180 HydrophobicContact CG2-CD 3.7Å; I99-K180 HydrophobicContact CG2-CG 4.31Å; E102-K180 IonicContact OE2-NZ 3.54Å; V103-K180 HydrophobicContact CG2-CD 3.67Å; K176-K180 WeakPolarHBondContact O-CB 3.24Å; K176-K180 PolarHBondContact O-N 3.14Å; I177-K180 PolarHBondContact O-N 3.38Å; K180-K184 WeakPolarHBondContact O-CB 3.44Å; K180-K184 WeakPolarHBondContact O-CG 3.46Å; K180-K184 PolarHBondContact O-N 2.92Å; K180-K184 VanDerWaalsContact O-N 3.08Å
181L73.9Confident65.8Low31 Ų3173.5 Ų73.516%0.16240%0.396CS..Hα-helixtrans-68.8-41.8175.8-70.6172.5000111.7K96 T158 I162 I177 Q178 E179 G185K96-L181 HydrophobicContact CB-CD2 3.4Å; K96-L181 HydrophobicContact CD-CD2 4.03Å; K96-L181 HydrophobicContact CG-CD2 3.51Å; T158-L181 HydrophobicContact CG2-CD1 3.63Å; I162-L181 HydrophobicContact CD1-CD1 4.36Å; I177-L181 HydrophobicContact CG2-CD1 3.65Å; I177-L181 HydrophobicContact CG2-CG 4.18Å; I177-L181 WeakPolarHBondContact O-CB 3.47Å; I177-L181 WeakPolarHBondContact O-CG 3.33Å; I177-L181 PolarHBondContact O-N 3.33Å; Q178-L181 WeakPolarHBondContact O-CB 3.38Å; Q178-L181 PolarHBondContact O-N 2.83Å; E179-L181 VanDerWaalsContact C-N 3.26Å; E179-L181 PolarHBondContact O-N 3.01Å; L181-G185 PolarHBondContact O-N 3.4Å
182E70.4Confident63.9Low106 Ų10677.5 Ų77.550%0.49541%0.409SS..Hα-helixtrans-64.5-48.8174.2-74.3172.5-165.700110.5Q178 E179 K184 G185 L186Q178-E182 PolarHBondContact NE2-OE1 2.98Å; Q178-E182 VanDerWaalsContact NE2-OE1 3.17Å; Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 WeakPolarHBondContact O-CG 3.44Å; Q178-E182 PolarHBondContact O-N 3.48Å; E179-E182 PolarHBondContact O-N 3.37Å; E182-K184 VanDerWaalsContact C-N 3.31Å; E182-K184 PolarHBondContact O-N 2.82Å; E182-G185 CarbonylContact O-C 3.52Å; E182-G185 WeakPolarHBondContact O-CA 3.41Å; E182-G185 PolarHBondContact O-N 3.36Å; E182-L186 HydrophobicContact CB-CD1 4.42Å; E182-L186 WeakPolarHBondContact O-CD1 3.32Å; E182-L186 PolarHBondContact O-N 2.97Å
183Q68.1Low62Low112 Ų11279.6 Ų79.652%0.52341%0.409SS..Hα-helixtrans-56.7-39.9176.7-73.7179.417.400113E179 L186 S187E179-Q183 WeakPolarHBondContact O-CB 3.45Å; E179-Q183 WeakPolarHBondContact O-CG 3.44Å; E179-Q183 PolarHBondContact O-N 2.97Å; E179-Q183 PolarHBondContact OE1-NE2 3.26Å; Q183-L186 PolarHBondContact O-N 3.35Å; Q183-S187 WeakPolarHBondContact O-CB 3.42Å; Q183-S187 PolarHBondContact O-N 3.44Å
184K63.3Low60.2Low127 Ų12785 Ų8555%0.55244%0.437SS*.Hα-helixtrans-70.8-34.6174.4-79.9-112-174.9172.60113I99 K180 E182 S187 S188I99-K184 HydrophobicContact CD1-CB 4.49Å; I99-K184 HydrophobicContact CD1-CD 3.75Å; I99-K184 HydrophobicContact CD1-CG 3.8Å; K180-K184 WeakPolarHBondContact O-CB 3.44Å; K180-K184 WeakPolarHBondContact O-CG 3.46Å; K180-K184 PolarHBondContact O-N 2.92Å; K180-K184 VanDerWaalsContact O-N 3.08Å; E182-K184 VanDerWaalsContact C-N 3.31Å; E182-K184 PolarHBondContact O-N 2.82Å; K184-S187 PolarHBondContact O-N 2.93Å; K184-S188 PolarHBondContact O-N 3.19Å
185G55.5Low58.2Low39 Ų3992.4 Ų92.440%0.40247%0.472SS..Hα-helixtrans-66.3-38.2172.200000112.9L181 E182 S189L181-G185 PolarHBondContact O-N 3.4Å; E182-G185 CarbonylContact O-C 3.52Å; E182-G185 WeakPolarHBondContact O-CA 3.41Å; E182-G185 PolarHBondContact O-N 3.36Å; G185-S189 PolarHBondContact O-N 3.41Å; G185-S189 PolarHBondContact O-OG 3.13Å
186L45.7Very low56.1Low111 Ų11198.6 Ų98.658%0.58149%0.491SS*.Hα-helixtrans-68.2-44171.2-83.8112.3000111.3E182 Q183 S188 S189 V190E182-L186 HydrophobicContact CB-CD1 4.42Å; E182-L186 WeakPolarHBondContact O-CD1 3.32Å; E182-L186 PolarHBondContact O-N 2.97Å; Q183-L186 PolarHBondContact O-N 3.35Å; L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 3.02Å; L186-S189 CarbonylContact O-C 3.47Å; L186-S189 WeakPolarHBondContact O-CA 3.38Å; L186-S189 WeakPolarHBondContact O-CB 3.38Å; L186-S189 PolarHBondContact O-N 3.38Å; L186-V190 WeakPolarHBondContact O-CG2 3.44Å; L186-V190 PolarHBondContact O-N 3.16Å
187S42.2Very low54.5Low69 Ų6999.1 Ų99.148%0.48350%0.502SS..Hα-helixtrans-60-40.3176.6-176.20000112.4Q183 K184 S189 V190 V191Q183-S187 WeakPolarHBondContact O-CB 3.42Å; Q183-S187 PolarHBondContact O-N 3.44Å; K184-S187 PolarHBondContact O-N 2.93Å; S187-S189 VanDerWaalsContact C-N 3.29Å; S187-S189 PolarHBondContact O-N 2.82Å; S187-V190 PolarHBondContact O-N 3.3Å; S187-V191 WeakPolarHBondContact O-CG2 3.04Å; S187-V191 PolarHBondContact O-N 3.23Å
188S42.9Very low52.7Low81 Ų81104.1 Ų104.157%0.56654%0.537SS*.Hα-helixtrans-64.4-32.8172.8-176.60000113K184 L186K184-S188 PolarHBondContact O-N 3.19Å; L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 3.02Å
189S38.4Very low51.3Low65 Ų65106.6 Ų106.646%0.45556%0.557SS.*Hα-helixtrans-76.9-40.9176.4-57.80000112G185 L186 S187 K192 Y193G185-S189 PolarHBondContact O-N 3.41Å; G185-S189 PolarHBondContact O-OG 3.13Å; L186-S189 CarbonylContact O-C 3.47Å; L186-S189 WeakPolarHBondContact O-CA 3.38Å; L186-S189 WeakPolarHBondContact O-CB 3.38Å; L186-S189 PolarHBondContact O-N 3.38Å; S187-S189 VanDerWaalsContact C-N 3.29Å; S187-S189 PolarHBondContact O-N 2.82Å; S189-K192 WeakPolarHBondContact O-CB 3.45Å; S189-K192 PolarHBondContact O-N 3.19Å; S189-Y193 VanDerWaalsContact O-CD2 3.22Å; S189-Y193 WeakPolarHBondContact O-CD2 3.32Å; S189-Y193 PolarHBondContact O-N 3.15Å
190V40.4Very low49.6Very low71 Ų71105.6 Ų105.643%0.4357%0.567SS.*Hα-helixtrans-69.3-36.5179.9-175.70000111.5L186 S187 K192 Y193 L194L186-V190 WeakPolarHBondContact O-CG2 3.44Å; L186-V190 PolarHBondContact O-N 3.16Å; S187-V190 PolarHBondContact O-N 3.3Å; V190-K192 VanDerWaalsContact C-N 3.26Å; V190-K192 PolarHBondContact O-N 3.23Å; V190-Y193 PolarHBondContact O-N 3.36Å; V190-Y193 VanDerWaalsContact O-N 3.12Å; V190-L194 HydrophobicContact CG1-CD1 3.75Å; V190-L194 HydrophobicContact CG1-CG 4.03Å; V190-L194 WeakPolarHBondContact O-CG 3.44Å; V190-L194 PolarHBondContact O-N 3.25Å
191V42.6Very low48.1Very low81 Ų81107 Ų10749%0.49158%0.584SS.*Hα-helixtrans-63.3-34.2173.5176.10000111.2S187 Y193 Q195S187-V191 WeakPolarHBondContact O-CG2 3.04Å; S187-V191 PolarHBondContact O-N 3.23Å; V191-Y193 VanDerWaalsContact C-N 3.35Å; V191-Y193 PolarHBondContact O-N 3.48Å; V191-Q195 WeakPolarHBondContact O-CB 3.28Å; V191-Q195 PolarHBondContact O-N 2.72Å
192K40.4Very low46.7Very low163 Ų163110.9 Ų110.971%0.70961%0.614SS**Hα-helixtrans-64.6-36.5173.1-115.2-178.7-177.9-179.40112.9S189 V190S189-K192 WeakPolarHBondContact O-CB 3.45Å; S189-K192 PolarHBondContact O-N 3.19Å; V190-K192 VanDerWaalsContact C-N 3.26Å; V190-K192 PolarHBondContact O-N 3.23Å
193Y39.6Very low45.4Very low180 Ų180115.2 Ų115.271%0.70663%0.632SS**Hα-helixtrans-78.9-39.4178.4-79.5-76.7000112.9S189 V190 V191 Q195 Y196 T197S189-Y193 VanDerWaalsContact O-CD2 3.22Å; S189-Y193 WeakPolarHBondContact O-CD2 3.32Å; S189-Y193 PolarHBondContact O-N 3.15Å; V190-Y193 PolarHBondContact O-N 3.36Å; V190-Y193 VanDerWaalsContact O-N 3.12Å; V191-Y193 VanDerWaalsContact C-N 3.35Å; V191-Y193 PolarHBondContact O-N 3.48Å; Y193-Q195 VanDerWaalsContact C-N 3.34Å; Y193-Q195 PolarHBondContact O-N 3.2Å; Y193-Y196 PolarHBondContact O-N 2.96Å; Y193-T197 PolarHBondContact O-N 2.89Å; Y193-T197 PolarHBondContact O-OG1 3.07Å
194L42.8Very low44.7Very low118 Ų118116.1 Ų116.162%0.61865%0.645SS**Hα-helixtrans-74.1-22.1-178.6-68.2176.8000113.8V190 Y196V190-L194 HydrophobicContact CG1-CD1 3.75Å; V190-L194 HydrophobicContact CG1-CG 4.03Å; V190-L194 WeakPolarHBondContact O-CG 3.44Å; V190-L194 PolarHBondContact O-N 3.25Å; L194-Y196 VanDerWaalsContact C-N 3.34Å
195Q40.1Very low44.1Very low155 Ų155117.2 Ų117.272%0.72469%0.693SS**THydrogen-bonded Turntrans-81.9-14.6174.8-143.4166.86.900112.9V191 Y193V191-Q195 WeakPolarHBondContact O-CB 3.28Å; V191-Q195 PolarHBondContact O-N 2.72Å; Y193-Q195 VanDerWaalsContact C-N 3.34Å; Y193-Q195 PolarHBondContact O-N 3.2Å
196Y39.5Very low43.5Very low205 Ų205121.2 Ų121.280%0.80471%0.707SS**THydrogen-bonded Turntrans-93.7-20.6178.9-124-92.1000113.5Y193 L194Y193-Y196 PolarHBondContact O-N 2.96Å; L194-Y196 VanDerWaalsContact C-N 3.34Å
197T44.9Very low43.4Very low103 Ų103121.7 Ų121.763%0.63271%0.714SS**THydrogen-bonded Turntrans-91.5-0.6-175.251.90000115Y193Y193-T197 PolarHBondContact O-N 2.89Å; Y193-T197 PolarHBondContact O-OG1 3.07Å
198S42.4Very low43.5Very low106 Ų106124.6 Ų124.674%0.74173%0.727SS**THydrogen-bonded Turntrans-92.27.6-179.1-1680000115
199V49.6Very low43.5Very low127 Ų127127.2 Ų127.277%0.7774%0.736SS**  trans-126.668171.7-105.10000108.9
200A44.4Very low43.8Very low87 Ų87131.1 Ų131.172%0.71975%0.754SS**  trans-78.2121.9158.200000107.6S202A200-S202 PolarHBondContact O-N 2.93Å
201P43.1Very low44Very low109 Ų109135.1 Ų135.171%0.70878%0.775SS**  trans-69.4118.2170.527.4-28.5000107.8F203P201-F203 VanDerWaalsContact C-N 3.29Å; P201-F203 PolarHBondContact O-N 2.66Å
202S44.4Very low44.1Very low113 Ų113138.9 Ų138.979%0.7980%0.796SS**  trans-61.796164.425.10000108.1A200 T204A200-S202 PolarHBondContact O-N 2.93Å; S202-T204 PolarHBondContact O-N 3.38Å; S202-T204 VanDerWaalsContact O-N 3.08Å
203F43.5Very low44.4Very low198 Ų198137.1 Ų137.187%0.86880%0.802SS**  trans-68.799.6168-128.7-95000107P201 G205P201-F203 VanDerWaalsContact C-N 3.29Å; P201-F203 PolarHBondContact O-N 2.66Å; F203-G205 PolarHBondContact O-N 3.01Å
204T53.1Low44.8Very low131 Ų131133.5 Ų133.580%0.80481%0.81SS**  trans-70.6116.4166.644.40000108.3S202S202-T204 PolarHBondContact O-N 3.38Å; S202-T204 VanDerWaalsContact O-N 3.08Å
205G50.2Low45Very low150 Ų150134.9 Ų134.9100%1.54683%0.828SS**  trans-89.80159.500000110.7F203F203-G205 PolarHBondContact O-N 3.01Å

Retrieved 205 of 205 residues in 239.9 ms (Link to these results)

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