A0A087YAT1_POEFO Loading...

Coiled-coil domain containing 189

AlphaFold DB , UniProt , Accession A0A087YAT1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 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
1D63.3Low77.6Confident182 Ų18273.2 Ų73.297%0.97338%0.38SS*.  0147.30-58.2-18000111
2I76.2Confident78Confident13 Ų1379.1 Ų79.17%0.06740%0.404CS..  trans-79.4130.9179.3-56.9169.1000108.6D6 M7 I10 V26 L27 S61 V64I2-D6 HydrophobicContact CG2-CB 3.65Å; I2-M7 HydrophobicContact CB-CG 4.29Å; I2-M7 HydrophobicContact CB-SD 4.19Å; I2-M7 HydrophobicContact CD1-SD 4.02Å; I2-M7 HydrophobicContact CG2-CG 3.69Å; I2-M7 HydrophobicContact CG2-SD 3.68Å; I2-I10 HydrophobicContact CG2-CD1 4.25Å; I2-V26 HydrophobicContact CB-CG1 4.28Å; I2-V26 HydrophobicContact CG1-CG1 4.04Å; I2-V26 HydrophobicContact CG2-CG1 3.59Å; I2-L27 HydrophobicContact CD1-CD2 4.17Å; I2-L27 HydrophobicContact CG1-CD2 3.91Å; I2-S61 PolarHBondContact O-OG 3.18Å; I2-V64 HydrophobicContact CD1-CB 3.93Å; I2-V64 HydrophobicContact CD1-CG1 3.72Å; I2-V64 HydrophobicContact CD1-CG2 4.5Å
3S78.8Confident78.5Confident63 Ų6375.6 Ų75.644%0.44139%0.386SS..  trans-65.2153.7177.5-174.10000111.4H5 D6 M7S3-H5 PolarHBondContact O-N 2.96Å; S3-D6 WeakPolarHBondContact CB-OD2 3.48Å; S3-D6 PolarHBondContact N-OD2 3.42Å; S3-D6 PolarHBondContact O-N 3.47Å; S3-M7 PolarHBondContact O-N 3.14Å
4F74.9Confident78.5Confident145 Ų14583.4 Ų83.464%0.63642%0.42SS*.Hα-helixtrans-58.3-37175.1-177.3-93000112.1M7 E8F4-M7 PolarHBondContact O-N 3.05Å; F4-E8 PolarHBondContact O-N 3.02Å
5H75.5Confident79Confident123 Ų12380.8 Ų80.857%0.56941%0.413SS*.Hα-helixtrans-67-43.1177.8-172.156.3000111.9S3 M7 E8 V9S3-H5 PolarHBondContact O-N 2.96Å; H5-M7 VanDerWaalsContact C-N 3.31Å; H5-M7 PolarHBondContact O-N 3.13Å; H5-E8 WeakPolarHBondContact O-CB 3.33Å; H5-E8 PolarHBondContact O-N 3.36Å; H5-E8 VanDerWaalsContact O-N 3.12Å; H5-V9 PolarHBondContact O-N 3.26Å
6D80.4Confident79.4Confident53 Ų5379.9 Ų79.928%0.28341%0.412SS..Hα-helixtrans-63.9-38.8177.8-58.5-25.3000111.3I2 S3 E8 V9 I10 V26I2-D6 HydrophobicContact CG2-CB 3.65Å; S3-D6 WeakPolarHBondContact CB-OD2 3.48Å; S3-D6 PolarHBondContact N-OD2 3.42Å; S3-D6 PolarHBondContact O-N 3.47Å; D6-E8 VanDerWaalsContact C-N 3.29Å; D6-E8 PolarHBondContact O-N 3.38Å; D6-V9 PolarHBondContact O-N 3.42Å; D6-I10 VanDerWaalsContact O-CG1 3.29Å; D6-I10 WeakPolarHBondContact O-CG1 3.5Å; D6-I10 PolarHBondContact O-N 3.21Å; D6-V26 HydrophobicContact CB-CG1 3.86Å; D6-V26 HydrophobicContact CB-CG2 3.77Å
7M82.9Confident79.7Confident7 Ų780 Ų803%0.03442%0.419CS..Hα-helixtrans-64-32.8174.3-80.1-50.8-55.400113.1I2 S3 F4 H5 I10 D11 T60I2-M7 HydrophobicContact CB-CG 4.29Å; I2-M7 HydrophobicContact CB-SD 4.19Å; I2-M7 HydrophobicContact CD1-SD 4.02Å; I2-M7 HydrophobicContact CG2-CG 3.69Å; I2-M7 HydrophobicContact CG2-SD 3.68Å; S3-M7 PolarHBondContact O-N 3.14Å; F4-M7 PolarHBondContact O-N 3.05Å; H5-M7 VanDerWaalsContact C-N 3.31Å; H5-M7 PolarHBondContact O-N 3.13Å; M7-I10 HydrophobicContact CE-CG2 4.37Å; M7-I10 PolarHBondContact O-N 2.82Å; M7-I10 HydrophobicContact SD-CD1 4.16Å; M7-D11 VanDerWaalsContact O-CB 3.28Å; M7-D11 WeakPolarHBondContact O-CB 3.32Å; M7-D11 PolarHBondContact O-N 3.32Å; M7-T60 HydrophobicContact CE-CG2 3.58Å
8E77.8Confident80Confident70 Ų7080.3 Ų80.333%0.32742%0.422SS..Hα-helixtrans-68.9-38.1177-176.7155.2-116.400112F4 H5 D6 Q12 K57F4-E8 PolarHBondContact O-N 3.02Å; H5-E8 WeakPolarHBondContact O-CB 3.33Å; H5-E8 PolarHBondContact O-N 3.36Å; H5-E8 VanDerWaalsContact O-N 3.12Å; D6-E8 VanDerWaalsContact C-N 3.29Å; D6-E8 PolarHBondContact O-N 3.38Å; E8-Q12 VanDerWaalsContact O-CG 3.31Å; E8-Q12 WeakPolarHBondContact O-CG 3.48Å; E8-Q12 PolarHBondContact O-N 3.41Å; E8-K57 IonicContact OE1-NZ 3.22Å; E8-K57 PolarHBondContact OE1-NZ 2.86Å
9V81Confident80.4Confident66 Ų6676.2 Ų76.240%0.440%0.4SS..Hα-helixtrans-65.4-47172.3179.20000110.3H5 D6 D11 Q12 I13H5-V9 PolarHBondContact O-N 3.26Å; D6-V9 PolarHBondContact O-N 3.42Å; V9-D11 VanDerWaalsContact C-N 3.32Å; V9-D11 PolarHBondContact O-N 2.94Å; V9-Q12 PolarHBondContact O-N 3.27Å; V9-I13 HydrophobicContact CG1-CD1 3.94Å; V9-I13 WeakPolarHBondContact O-CD1 3.33Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.46Å; V9-I13 PolarHBondContact O-N 3.5Å
10I82.8Confident80.6Confident1 Ų175.5 Ų75.51%0.00539%0.394CS..Hα-helixtrans-58.7-43.4178.1-72.9163.7000111.2I2 D6 M7 Q12 I13 L19 L23 V26 V47 R51I2-I10 HydrophobicContact CG2-CD1 4.25Å; D6-I10 VanDerWaalsContact O-CG1 3.29Å; D6-I10 WeakPolarHBondContact O-CG1 3.5Å; D6-I10 PolarHBondContact O-N 3.21Å; M7-I10 HydrophobicContact CE-CG2 4.37Å; M7-I10 PolarHBondContact O-N 2.82Å; M7-I10 HydrophobicContact SD-CD1 4.16Å; I10-Q12 VanDerWaalsContact C-N 3.33Å; I10-Q12 PolarHBondContact O-N 2.93Å; I10-I13 PolarHBondContact O-N 2.83Å; I10-L19 HydrophobicContact CG2-CD1 3.78Å; I10-L23 HydrophobicContact CD1-CD2 3.85Å; I10-L23 HydrophobicContact CG1-CD2 4.41Å; I10-V26 HydrophobicContact CD1-CG1 4.35Å; I10-V26 HydrophobicContact CD1-CG2 4.36Å; I10-V47 HydrophobicContact CG2-CG1 4.04Å; I10-V47 HydrophobicContact CG2-CG2 4.45Å; I10-R51 PolarHBondContact O-NH2 3.22Å
11D80.3Confident80.8Confident82 Ų8275.3 Ų75.344%0.43940%0.399SS..Hα-helixtrans-65.4-34.5-177.9-164.737.4000112.8M7 V9 I13 R51 K57M7-D11 VanDerWaalsContact O-CB 3.28Å; M7-D11 WeakPolarHBondContact O-CB 3.32Å; M7-D11 PolarHBondContact O-N 3.32Å; V9-D11 VanDerWaalsContact C-N 3.32Å; V9-D11 PolarHBondContact O-N 2.94Å; D11-I13 PolarHBondContact O-N 3.02Å; D11-R51 PolarHBondContact O-NH2 3.21Å; D11-K57 VanDerWaalsContact OD2-CE 3.31Å; D11-K57 WeakPolarHBondContact OD2-CE 3.19Å
12Q81.9Confident81.8Confident144 Ų14467.1 Ų67.167%0.67336%0.357SS*.Hα-helixtrans-74.6-22.8179.8-70175.922.500113.7E8 V9 I10 Q14E8-Q12 VanDerWaalsContact O-CG 3.31Å; E8-Q12 WeakPolarHBondContact O-CG 3.48Å; E8-Q12 PolarHBondContact O-N 3.41Å; V9-Q12 PolarHBondContact O-N 3.27Å; I10-Q12 VanDerWaalsContact C-N 3.33Å; I10-Q12 PolarHBondContact O-N 2.93Å; Q12-Q14 PolarHBondContact O-N 2.88Å
13I84.8Confident82.2Confident34 Ų3466.5 Ų66.517%0.17435%0.354CS..  trans-81.1113.2-175.7-65.3163.8000110.9V9 I10 D11 S15 D18 L19 A22 R51V9-I13 HydrophobicContact CG1-CD1 3.94Å; V9-I13 WeakPolarHBondContact O-CD1 3.33Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.46Å; V9-I13 PolarHBondContact O-N 3.5Å; I10-I13 PolarHBondContact O-N 2.83Å; D11-I13 PolarHBondContact O-N 3.02Å; I13-S15 WeakPolarHBondContact CG2-O 3.42Å; I13-D18 HydrophobicContact CG2-CB 3.6Å; I13-L19 HydrophobicContact CG2-CB 4Å; I13-A22 HydrophobicContact CD1-CB 3.63Å; I13-R51 VanDerWaalsContact O-CZ 3.25Å; I13-R51 PolarHBondContact O-NH1 3.31Å; I13-R51 PolarHBondContact O-NH2 3.16Å
14Q78.1Confident82.4Confident184 Ų18464.8 Ų64.886%0.8634%0.342SS*.  trans-91.6-21.2176.6-64-168.81400114Q12Q12-Q14 PolarHBondContact O-N 2.88Å
15S87.1Confident82.8Confident45 Ų4562 Ų6232%0.31534%0.341SS..  trans-80.9128.2-178.7171.20000110.7I13 P17 D18 L19I13-S15 WeakPolarHBondContact CG2-O 3.42Å; S15-P17 VanDerWaalsContact OG-CD 3.32Å; S15-P17 WeakPolarHBondContact OG-CD 3.34Å; S15-P17 WeakPolarHBondContact OG-CG 3.35Å; S15-D18 WeakPolarHBondContact CB-OD2 3.38Å; S15-D18 PolarHBondContact O-N 3.49Å; S15-D18 PolarHBondContact OG-OD2 2.91Å; S15-L19 WeakPolarHBondContact O-CB 3.46Å; S15-L19 PolarHBondContact O-N 3.47Å
16V85.4Confident83.2Confident66 Ų6657.9 Ų57.940%0.432%0.324SS..Hα-helixtrans-57.8-50.3178.5179.50000113.1D18 L19 E20 V44V16-D18 VanDerWaalsContact C-N 3.3Å; V16-D18 PolarHBondContact O-N 3.39Å; V16-L19 WeakPolarHBondContact O-CB 3.35Å; V16-L19 PolarHBondContact O-N 3.01Å; V16-L19 VanDerWaalsContact O-N 3.14Å; V16-E20 PolarHBondContact O-N 3.35Å; V16-V44 HydrophobicContact CG1-CG1 4.11Å
17P83.8Confident83.2Confident82 Ų8256.3 Ų56.353%0.53232%0.315SS..Hα-helixtrans-65.6-33.6-179.125.2-35.6000112.7S15 L19 E20 S21S15-P17 VanDerWaalsContact OG-CD 3.32Å; S15-P17 WeakPolarHBondContact OG-CD 3.34Å; S15-P17 WeakPolarHBondContact OG-CG 3.35Å; P17-L19 VanDerWaalsContact C-N 3.33Å; P17-E20 PolarHBondContact O-N 2.94Å; P17-S21 PolarHBondContact O-N 3.46Å; P17-S21 VanDerWaalsContact O-N 3.13Å
18D85.6Confident83.1Confident86 Ų8659.9 Ų59.946%0.4635%0.346SS..Hα-helixtrans-70.2-35.9176.5-60.4-38.9000110.6I13 S15 V16 S21 A22I13-D18 HydrophobicContact CG2-CB 3.6Å; S15-D18 WeakPolarHBondContact CB-OD2 3.38Å; S15-D18 PolarHBondContact O-N 3.49Å; S15-D18 PolarHBondContact OG-OD2 2.91Å; V16-D18 VanDerWaalsContact C-N 3.3Å; V16-D18 PolarHBondContact O-N 3.39Å; D18-S21 PolarHBondContact O-N 3.02Å; D18-S21 PolarHBondContact O-OG 3.42Å; D18-A22 PolarHBondContact O-N 3.26Å
19L86.4Confident83.1Confident1 Ų157.3 Ų57.31%0.00534%0.335CS..Hα-helixtrans-66.2-41.8175.7178.860000111.6I10 I13 S15 V16 P17 S21 A22 L23 V44 V47I10-L19 HydrophobicContact CG2-CD1 3.78Å; I13-L19 HydrophobicContact CG2-CB 4Å; S15-L19 WeakPolarHBondContact O-CB 3.46Å; S15-L19 PolarHBondContact O-N 3.47Å; V16-L19 WeakPolarHBondContact O-CB 3.35Å; V16-L19 PolarHBondContact O-N 3.01Å; V16-L19 VanDerWaalsContact O-N 3.14Å; P17-L19 VanDerWaalsContact C-N 3.33Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 2.94Å; L19-A22 PolarHBondContact O-N 2.98Å; L19-L23 HydrophobicContact CD1-CD1 4Å; L19-L23 HydrophobicContact CD1-CG 4.08Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.36Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.87Å; L19-V44 HydrophobicContact CD2-CG1 4.19Å; L19-V44 HydrophobicContact CD2-CG2 4.49Å; L19-V44 HydrophobicContact CG-CG2 4.32Å; L19-V47 HydrophobicContact CD1-CG1 4.37Å; L19-V47 HydrophobicContact CD2-CB 4.35Å; L19-V47 HydrophobicContact CD2-CG1 4.07Å
20E84.8Confident83Confident62 Ų6262 Ų6229%0.2936%0.358SS..Hα-helixtrans-57.3-45.6172.3-75.1177.1-167.500111.6V16 P17 A22 L23 C24 V44V16-E20 PolarHBondContact O-N 3.35Å; P17-E20 PolarHBondContact O-N 2.94Å; E20-A22 PolarHBondContact O-N 3Å; E20-L23 PolarHBondContact O-N 3.21Å; E20-C24 WeakPolarHBondContact O-CB 3.2Å; E20-C24 PolarHBondContact O-N 3.39Å; E20-V44 HydrophobicContact CB-CG2 4.42Å; E20-V44 HydrophobicContact CG-CG2 3.49Å; E20-V44 VanDerWaalsContact CG-CG2 3.49Å
21S84.4Confident83Confident72 Ų7264.7 Ų64.750%0.50337%0.372SS..Hα-helixtrans-64.1-41.3179.879.90000112.1P17 D18 L19 C24 S25P17-S21 PolarHBondContact O-N 3.46Å; P17-S21 VanDerWaalsContact O-N 3.13Å; D18-S21 PolarHBondContact O-N 3.02Å; D18-S21 PolarHBondContact O-OG 3.42Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 2.94Å; S21-C24 WeakPolarHBondContact O-CB 3.38Å; S21-C24 PolarHBondContact O-N 3.36Å; S21-S25 PolarHBondContact O-N 2.84Å; S21-S25 VanDerWaalsContact O-N 3.13Å
22A84.5Confident83.2Confident11 Ų1165 Ų659%0.09138%0.379CS..Hα-helixtrans-65.1-49.7176.500000111I13 D18 L19 E20 C24 S25 V26I13-A22 HydrophobicContact CD1-CB 3.63Å; D18-A22 PolarHBondContact O-N 3.26Å; L19-A22 PolarHBondContact O-N 2.98Å; E20-A22 PolarHBondContact O-N 3Å; A22-C24 VanDerWaalsContact C-N 3.28Å; A22-C24 PolarHBondContact O-N 3.45Å; A22-S25 PolarHBondContact O-N 3.49Å; A22-S25 VanDerWaalsContact O-N 3.1Å; A22-S25 PolarHBondContact O-OG 2.91Å; A22-V26 WeakPolarHBondContact O-CB 3.26Å; A22-V26 VanDerWaalsContact O-CG2 3.27Å; A22-V26 WeakPolarHBondContact O-CG2 3.41Å; A22-V26 PolarHBondContact O-N 3.43Å
23L84.5Confident83.3Confident0 Ų066 Ų660%038%0.383CS..Hα-helixtrans-61-37.8178.1-72.2170.1000112.2I10 L19 E20 S25 V26 L27 L40 V44 V47I10-L23 HydrophobicContact CD1-CD2 3.85Å; I10-L23 HydrophobicContact CG1-CD2 4.41Å; L19-L23 HydrophobicContact CD1-CD1 4Å; L19-L23 HydrophobicContact CD1-CG 4.08Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.36Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.87Å; E20-L23 PolarHBondContact O-N 3.21Å; L23-S25 VanDerWaalsContact C-N 3.34Å; L23-S25 PolarHBondContact O-N 3.44Å; L23-V26 PolarHBondContact O-N 2.92Å; L23-L27 HydrophobicContact CD2-CD1 4.31Å; L23-L27 VanDerWaalsContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 PolarHBondContact O-N 3.25Å; L23-L40 HydrophobicContact CB-CD2 4.25Å; L23-V44 HydrophobicContact CD1-CB 4.47Å; L23-V44 HydrophobicContact CD1-CG2 3.73Å; L23-V47 HydrophobicContact CD1-CG2 4.38Å; L23-V47 HydrophobicContact CD2-CG2 4.33Å
24C84.6Confident83.3Confident27 Ų2769.1 Ų69.118%0.18241%0.405CS..Hα-helixtrans-58.4-45.4173.7175.50000111.8E20 S21 A22 A28 V29 K36 L40E20-C24 WeakPolarHBondContact O-CB 3.2Å; E20-C24 PolarHBondContact O-N 3.39Å; S21-C24 WeakPolarHBondContact O-CB 3.38Å; S21-C24 PolarHBondContact O-N 3.36Å; A22-C24 VanDerWaalsContact C-N 3.28Å; A22-C24 PolarHBondContact O-N 3.45Å; C24-A28 PolarHBondContact O-N 3.43Å; C24-V29 PolarHBondContact O-N 3.01Å; C24-K36 WeakPolarHBondContact SG-CE 3.39Å; C24-K36 PolarHBondContact SG-NZ 2.93Å; C24-L40 HydrophobicContact CB-CD1 3.95Å; C24-L40 HydrophobicContact CB-CD2 3.84Å
25S82.8Confident83.8Confident87 Ų8763.7 Ų63.761%0.60838%0.379SS*.Hα-helixtrans-69.1-42.4178.571.20000112.9S21 A22 L23S21-S25 PolarHBondContact O-N 2.84Å; S21-S25 VanDerWaalsContact O-N 3.13Å; A22-S25 PolarHBondContact O-N 3.49Å; A22-S25 VanDerWaalsContact O-N 3.1Å; A22-S25 PolarHBondContact O-OG 2.91Å; L23-S25 VanDerWaalsContact C-N 3.34Å; L23-S25 PolarHBondContact O-N 3.44Å
26V83.9Confident83.8Confident36 Ų3664.3 Ų64.322%0.21838%0.376CS..Hα-helixtrans-73.7-41.6-174.2168.90000111.9I2 D6 I10 A22 L23 A28I2-V26 HydrophobicContact CB-CG1 4.28Å; I2-V26 HydrophobicContact CG1-CG1 4.04Å; I2-V26 HydrophobicContact CG2-CG1 3.59Å; D6-V26 HydrophobicContact CB-CG1 3.86Å; D6-V26 HydrophobicContact CB-CG2 3.77Å; I10-V26 HydrophobicContact CD1-CG1 4.35Å; I10-V26 HydrophobicContact CD1-CG2 4.36Å; A22-V26 WeakPolarHBondContact O-CB 3.26Å; A22-V26 VanDerWaalsContact O-CG2 3.27Å; A22-V26 WeakPolarHBondContact O-CG2 3.41Å; A22-V26 PolarHBondContact O-N 3.43Å; L23-V26 PolarHBondContact O-N 2.92Å; V26-A28 VanDerWaalsContact C-N 3.27Å
27L80.7Confident84Confident20 Ų2063.9 Ų63.911%0.10538%0.379CS..THydrogen-bonded Turntrans-87.70.6-178.5-63.6171.9000112.8I2 L23 V29 Y43 V64I2-L27 HydrophobicContact CD1-CD2 4.17Å; I2-L27 HydrophobicContact CG1-CD2 3.91Å; L23-L27 HydrophobicContact CD2-CD1 4.31Å; L23-L27 VanDerWaalsContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 PolarHBondContact O-N 3.25Å; L27-V29 VanDerWaalsContact C-N 3.3Å; L27-V29 HydrophobicContact CB-CG2 3.78Å; L27-V29 PolarHBondContact O-N 2.93Å; L27-Y43 HydrophobicContact CD1-CD1 4.16Å; L27-Y43 HydrophobicContact CD1-CD2 3.36Å; L27-Y43 HydrophobicContact CD1-CE1 4.34Å; L27-Y43 HydrophobicContact CD1-CE2 3.56Å; L27-Y43 HydrophobicContact CD1-CG 3.69Å; L27-V64 HydrophobicContact CD1-CG1 4.2Å; L27-V64 HydrophobicContact CD2-CG1 4.47Å
28A80.3Confident84.4Confident81 Ų8162.2 Ų62.267%0.66937%0.367SS*.THydrogen-bonded Turntrans47.151.4-179.400000112.2C24 V26 D30C24-A28 PolarHBondContact O-N 3.43Å; V26-A28 VanDerWaalsContact C-N 3.27Å; A28-D30 PolarHBondContact O-N 3.24Å
29V78.6Confident84.6Confident17 Ų1758.6 Ų58.610%0.10335%0.348CS..  trans-78.592.2-174.6-174.30000110.3C24 L27 L31 K36 L39 L40 Y43C24-V29 PolarHBondContact O-N 3.01Å; L27-V29 VanDerWaalsContact C-N 3.3Å; L27-V29 HydrophobicContact CB-CG2 3.78Å; L27-V29 PolarHBondContact O-N 2.93Å; V29-L31 HydrophobicContact CG1-CB 4.29Å; V29-L31 HydrophobicContact CG1-CD1 3.74Å; V29-L31 HydrophobicContact CG1-CG 4.35Å; V29-L31 PolarHBondContact O-N 3.42Å; V29-K36 HydrophobicContact CG1-CG 4.27Å; V29-L39 HydrophobicContact CG1-CD2 3.87Å; V29-L40 HydrophobicContact CG2-CD2 4.38Å; V29-Y43 HydrophobicContact CG2-CE2 4.31Å
30D78.2Confident84.8Confident164 Ų16459 Ų5988%0.87735%0.35SS*.  trans-93.675.9176-164.515.8000111.1A28A28-D30 PolarHBondContact O-N 3.24Å
31L82.5Confident85.1Confident57 Ų5760.9 Ų60.930%0.29836%0.359SS..  trans-126.9145.5178.8-79.6157.7000110.2V29 K36 L39 F135V29-L31 HydrophobicContact CG1-CB 4.29Å; V29-L31 HydrophobicContact CG1-CD1 3.74Å; V29-L31 HydrophobicContact CG1-CG 4.35Å; V29-L31 PolarHBondContact O-N 3.42Å; L31-K36 HydrophobicContact CB-CB 4.06Å; L31-K36 WeakPolarHBondContact O-CB 3.47Å; L31-L39 HydrophobicContact CD1-CD2 3.57Å; L31-F135 HydrophobicContact CD1-CE1 4.12Å
32P85.4Confident85.4Confident90 Ų9058 Ų5858%0.58434%0.338SS*.  trans-68.7149171.429.2-33.4000110.7K35 K36P32-K35 PolarHBondContact O-N 3.03Å; P32-K35 VanDerWaalsContact O-N 3.07Å; P32-K36 PolarHBondContact O-N 2.86Å
33E83.7Confident85.7Confident164 Ų16457.7 Ų57.777%0.76633%0.334SS*.THydrogen-bonded Turntrans-63.8142164.9-73.4179.4-175.200110
34P84.8Confident86.1Confident99 Ų9957.8 Ų57.864%0.64334%0.335SS*.THydrogen-bonded Turncis-90.9-2.87.535.7-36.5000114.7K36 A37 V38P34-K36 VanDerWaalsContact C-N 3.27Å; P34-K36 PolarHBondContact O-N 3.01Å; P34-A37 PolarHBondContact O-N 3.44Å; P34-A37 VanDerWaalsContact O-N 3.14Å; P34-V38 PolarHBondContact O-N 3.34Å
35K87.6Confident86.5Confident70 Ų7060 Ų6030%0.30434%0.342SS..Hα-helixtrans-60.4-39.7-174.4-56-165.6-174.9-1640111.8P32 A37 V38 L39 I134 F135P32-K35 PolarHBondContact O-N 3.03Å; P32-K35 VanDerWaalsContact O-N 3.07Å; K35-A37 PolarHBondContact O-N 3.33Å; K35-V38 PolarHBondContact O-N 2.94Å; K35-L39 PolarHBondContact O-N 3.28Å; K35-L39 VanDerWaalsContact O-N 3.1Å; K35-I134 HydrophobicContact CB-CG2 4.29Å; K35-I134 HydrophobicContact CD-CG2 4.28Å; K35-I134 WeakPolarHBondContact CD-O 3.2Å; K35-I134 WeakPolarHBondContact CE-O 3.34Å; K35-I134 HydrophobicContact CG-CG2 3.84Å; K35-I134 PolarHBondContact NZ-O 2.93Å; K35-F135 HydrophobicContact CB-CD1 4.37Å; K35-F135 HydrophobicContact CB-CE1 3.8Å; K35-F135 HydrophobicContact CB-CZ 4.25Å; K35-F135 HydrophobicContact CD-CD1 4.49Å; K35-F135 VanDerWaalsContact O-CZ 3.25Å; K35-F135 WeakPolarHBondContact O-CZ 3.46Å
36K88.5Confident86.9Confident59 Ų5955.8 Ų55.826%0.25731%0.313SS..Hα-helixtrans-54.7-48174.9-176.8-179.1175.9-179.30112.7C24 V29 L31 P32 P34 V38 L39 L40C24-K36 WeakPolarHBondContact SG-CE 3.39Å; C24-K36 PolarHBondContact SG-NZ 2.93Å; V29-K36 HydrophobicContact CG1-CG 4.27Å; L31-K36 HydrophobicContact CB-CB 4.06Å; L31-K36 WeakPolarHBondContact O-CB 3.47Å; P32-K36 PolarHBondContact O-N 2.86Å; P34-K36 VanDerWaalsContact C-N 3.27Å; P34-K36 PolarHBondContact O-N 3.01Å; K36-V38 PolarHBondContact O-N 3.22Å; K36-L39 PolarHBondContact O-N 2.99Å; K36-L40 HydrophobicContact CG-CD1 3.94Å; K36-L40 HydrophobicContact CG-CG 4.41Å; K36-L40 WeakPolarHBondContact O-CG 3.45Å; K36-L40 PolarHBondContact O-N 2.91Å
37A88.8Confident87.2Confident57 Ų5754.2 Ų54.247%0.47130%0.304SS..Hα-helixtrans-62.3-44.8-178.400000111.6P34 K35 L39 L40 E41P34-A37 PolarHBondContact O-N 3.44Å; P34-A37 VanDerWaalsContact O-N 3.14Å; K35-A37 PolarHBondContact O-N 3.33Å; A37-L39 VanDerWaalsContact C-N 3.29Å; A37-L39 PolarHBondContact O-N 3.39Å; A37-L40 PolarHBondContact O-N 3.45Å; A37-E41 WeakPolarHBondContact O-CB 3.41Å; A37-E41 PolarHBondContact O-N 3.26Å
38V91.6Very high87.7Confident46 Ų4655.5 Ų55.528%0.27931%0.31SS..Hα-helixtrans-61.9-38178178.10000111.9P34 K35 K36 L42 Y131 I134 F135P34-V38 PolarHBondContact O-N 3.34Å; K35-V38 PolarHBondContact O-N 2.94Å; K36-V38 PolarHBondContact O-N 3.22Å; V38-L42 PolarHBondContact O-N 3.31Å; V38-Y131 HydrophobicContact CG1-CD1 4.45Å; V38-Y131 HydrophobicContact CG1-CE1 3.95Å; V38-I134 HydrophobicContact CG1-CD1 4.14Å; V38-I134 HydrophobicContact CG2-CD1 4.43Å; V38-F135 HydrophobicContact CB-CE2 4.43Å; V38-F135 HydrophobicContact CB-CZ 4.24Å; V38-F135 HydrophobicContact CG1-CE2 4.04Å; V38-F135 HydrophobicContact CG1-CZ 4.3Å
39L90.6Very high88.3Confident10 Ų1052.5 Ų52.55%0.05228%0.282CS..Hα-helixtrans-73-40.3178.4-170.562.5000112V29 L31 K35 K36 A37 L42 Y43 F135V29-L39 HydrophobicContact CG1-CD2 3.87Å; L31-L39 HydrophobicContact CD1-CD2 3.57Å; K35-L39 PolarHBondContact O-N 3.28Å; K35-L39 VanDerWaalsContact O-N 3.1Å; K36-L39 PolarHBondContact O-N 2.99Å; A37-L39 VanDerWaalsContact C-N 3.29Å; A37-L39 PolarHBondContact O-N 3.39Å; L39-L42 HydrophobicContact CD1-CD2 4.4Å; L39-L42 WeakPolarHBondContact O-CB 3.28Å; L39-L42 PolarHBondContact O-N 2.98Å; L39-Y43 HydrophobicContact CD1-CE2 3.96Å; L39-Y43 HydrophobicContact CD2-CE2 3.97Å; L39-Y43 HydrophobicContact CG-CD2 4.23Å; L39-Y43 HydrophobicContact CG-CE2 3.51Å; L39-Y43 VanDerWaalsContact O-CD2 3.22Å; L39-Y43 WeakPolarHBondContact O-CD2 3.36Å; L39-Y43 PolarHBondContact O-N 2.91Å; L39-F135 HydrophobicContact CB-CE1 4.1Å; L39-F135 HydrophobicContact CB-CZ 3.89Å
40L89.6Confident88.9Confident11 Ų1151.7 Ų51.76%0.05828%0.277CS..Hα-helixtrans-64.6-42.2175.4-71.6174.7000111.6L23 C24 V29 K36 A37 L42 Y43 V44L23-L40 HydrophobicContact CB-CD2 4.25Å; C24-L40 HydrophobicContact CB-CD1 3.95Å; C24-L40 HydrophobicContact CB-CD2 3.84Å; V29-L40 HydrophobicContact CG2-CD2 4.38Å; K36-L40 HydrophobicContact CG-CD1 3.94Å; K36-L40 HydrophobicContact CG-CG 4.41Å; K36-L40 WeakPolarHBondContact O-CG 3.45Å; K36-L40 PolarHBondContact O-N 2.91Å; A37-L40 PolarHBondContact O-N 3.45Å; L40-L42 VanDerWaalsContact C-N 3.27Å; L40-L42 PolarHBondContact O-N 3.44Å; L40-Y43 PolarHBondContact O-N 2.94Å; L40-V44 WeakPolarHBondContact O-CG2 3.13Å; L40-V44 PolarHBondContact O-N 2.94Å
41E91.4Very high89.5Confident101 Ų10147.4 Ų47.447%0.47225%0.249SC..Hα-helixtrans-55.1-44174.4-175.966.8-14600111.3A37 Y43 V44 Q45A37-E41 WeakPolarHBondContact O-CB 3.41Å; A37-E41 PolarHBondContact O-N 3.26Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; E41-Y43 PolarHBondContact O-N 2.99Å; E41-V44 PolarHBondContact O-N 2.73Å; E41-Q45 VanDerWaalsContact O-CB 3.31Å; E41-Q45 WeakPolarHBondContact O-CB 3.43Å; E41-Q45 PolarHBondContact O-N 3.26Å
42L91.8Very high89.8Confident10 Ų1051.9 Ų51.95%0.05227%0.268CS..Hα-helixtrans-59.3-44.3176174.963.1000111.9V38 L39 L40 T46 I67 H71 Y124 Y131V38-L42 PolarHBondContact O-N 3.31Å; L39-L42 HydrophobicContact CD1-CD2 4.4Å; L39-L42 WeakPolarHBondContact O-CB 3.28Å; L39-L42 PolarHBondContact O-N 2.98Å; L40-L42 VanDerWaalsContact C-N 3.27Å; L40-L42 PolarHBondContact O-N 3.44Å; L42-T46 PolarHBondContact O-N 2.99Å; L42-T46 VanDerWaalsContact O-N 3.09Å; L42-T46 PolarHBondContact O-OG1 3.17Å; L42-I67 HydrophobicContact CD1-CG2 4.26Å; L42-I67 HydrophobicContact CD2-CG2 3.93Å; L42-I67 HydrophobicContact CG-CG2 4Å; L42-H71 HydrophobicContact CD2-CB 4.5Å; L42-Y124 HydrophobicContact CD1-CD2 3.95Å; L42-Y124 HydrophobicContact CD2-CD2 3.8Å; L42-Y124 HydrophobicContact CD2-CE2 3.76Å; L42-Y131 HydrophobicContact CD2-CE1 4.16Å
43Y90.9Very high90Very high6 Ų651.8 Ų51.82%0.02426%0.26CS..Hα-helixtrans-70.4-41.2179.1-62.5-43.3000112.7L27 V29 L39 L40 E41 Q45 T46 V47 V64 K68L27-Y43 HydrophobicContact CD1-CD1 4.16Å; L27-Y43 HydrophobicContact CD1-CD2 3.36Å; L27-Y43 HydrophobicContact CD1-CE1 4.34Å; L27-Y43 HydrophobicContact CD1-CE2 3.56Å; L27-Y43 HydrophobicContact CD1-CG 3.69Å; V29-Y43 HydrophobicContact CG2-CE2 4.31Å; L39-Y43 HydrophobicContact CD1-CE2 3.96Å; L39-Y43 HydrophobicContact CD2-CE2 3.97Å; L39-Y43 HydrophobicContact CG-CD2 4.23Å; L39-Y43 HydrophobicContact CG-CE2 3.51Å; L39-Y43 VanDerWaalsContact O-CD2 3.22Å; L39-Y43 WeakPolarHBondContact O-CD2 3.36Å; L39-Y43 PolarHBondContact O-N 2.91Å; L40-Y43 PolarHBondContact O-N 2.94Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; E41-Y43 PolarHBondContact O-N 2.99Å; Y43-Q45 VanDerWaalsContact C-N 3.34Å; Y43-Q45 PolarHBondContact O-N 3.39Å; Y43-T46 WeakPolarHBondContact O-CB 3.32Å; Y43-T46 PolarHBondContact O-N 3.46Å; Y43-V47 WeakPolarHBondContact O-CG2 3.45Å; Y43-V47 PolarHBondContact O-N 3.43Å; Y43-V64 HydrophobicContact CD1-CG1 4.1Å; Y43-K68 HydrophobicContact CE1-CB 4.15Å
44V91.8Very high90.2Very high1 Ų147 Ų471%0.00626%0.255CS..Hα-helixtrans-57.8-49.9174.41680000110V16 L19 E20 L23 L40 E41 T46 V47 L48V16-V44 HydrophobicContact CG1-CG1 4.11Å; L19-V44 HydrophobicContact CD2-CG1 4.19Å; L19-V44 HydrophobicContact CD2-CG2 4.49Å; L19-V44 HydrophobicContact CG-CG2 4.32Å; E20-V44 HydrophobicContact CB-CG2 4.42Å; E20-V44 HydrophobicContact CG-CG2 3.49Å; E20-V44 VanDerWaalsContact CG-CG2 3.49Å; L23-V44 HydrophobicContact CD1-CB 4.47Å; L23-V44 HydrophobicContact CD1-CG2 3.73Å; L40-V44 WeakPolarHBondContact O-CG2 3.13Å; L40-V44 PolarHBondContact O-N 2.94Å; E41-V44 PolarHBondContact O-N 2.73Å; V44-T46 PolarHBondContact O-N 2.57Å; V44-V47 PolarHBondContact O-N 3Å; V44-V47 VanDerWaalsContact O-N 3.08Å; V44-L48 HydrophobicContact CG1-CD1 3.91Å; V44-L48 HydrophobicContact CG1-CG 4.25Å; V44-L48 WeakPolarHBondContact O-CG 3.47Å; V44-L48 PolarHBondContact O-N 3.49Å
45Q92.3Very high90.3Very high73 Ų7343.2 Ų43.234%0.34123%0.228SC..Hα-helixtrans-62.4-33.8-179.3-171.366.2-15.600112.1E41 Y43 F49 Y119E41-Q45 VanDerWaalsContact O-CB 3.31Å; E41-Q45 WeakPolarHBondContact O-CB 3.43Å; E41-Q45 PolarHBondContact O-N 3.26Å; Y43-Q45 VanDerWaalsContact C-N 3.34Å; Y43-Q45 PolarHBondContact O-N 3.39Å; Q45-F49 WeakPolarHBondContact O-CB 3.32Å; Q45-F49 PolarHBondContact O-N 3.5Å; Q45-Y119 VanDerWaalsContact C-OH 3.28Å; Q45-Y119 PolarHBondContact O-OH 3.48Å
46T91.9Very high90.4Very high0 Ų042.7 Ų42.70%023%0.233CC..Hα-helixtrans-63.9-46.2173.3-59.40000111.7L42 Y43 V44 F49 C50 L63 V64 I67 Y119L42-T46 PolarHBondContact O-N 2.99Å; L42-T46 VanDerWaalsContact O-N 3.09Å; L42-T46 PolarHBondContact O-OG1 3.17Å; Y43-T46 WeakPolarHBondContact O-CB 3.32Å; Y43-T46 PolarHBondContact O-N 3.46Å; V44-T46 PolarHBondContact O-N 2.57Å; T46-F49 PolarHBondContact O-N 2.96Å; T46-C50 PolarHBondContact O-N 2.98Å; T46-C50 PolarHBondContact O-SG 2.96Å; T46-L63 HydrophobicContact CG2-CD2 4.04Å; T46-L63 HydrophobicContact CG2-CG 3.87Å; T46-V64 HydrophobicContact CG2-CG2 3.78Å; T46-I67 HydrophobicContact CG2-CD1 3.56Å; T46-I67 WeakPolarHBondContact OG1-CD1 3.3Å; T46-Y119 WeakPolarHBondContact CA-OH 3.35Å; T46-Y119 PolarHBondContact N-OH 3.49Å
47V90.4Very high90.2Very high3 Ų342.7 Ų42.72%0.01823%0.233CC..Hα-helixtrans-65.8-41.8179172.90000110.7I10 L19 L23 Y43 V44 F49 C50 R51 T60 V64I10-V47 HydrophobicContact CG2-CG1 4.04Å; I10-V47 HydrophobicContact CG2-CG2 4.45Å; L19-V47 HydrophobicContact CD1-CG1 4.37Å; L19-V47 HydrophobicContact CD2-CB 4.35Å; L19-V47 HydrophobicContact CD2-CG1 4.07Å; L23-V47 HydrophobicContact CD1-CG2 4.38Å; L23-V47 HydrophobicContact CD2-CG2 4.33Å; Y43-V47 WeakPolarHBondContact O-CG2 3.45Å; Y43-V47 PolarHBondContact O-N 3.43Å; V44-V47 PolarHBondContact O-N 3Å; V44-V47 VanDerWaalsContact O-N 3.08Å; V47-F49 VanDerWaalsContact C-N 3.34Å; V47-F49 PolarHBondContact O-N 2.97Å; V47-C50 WeakPolarHBondContact O-CB 3.07Å; V47-C50 PolarHBondContact O-N 3.06Å; V47-R51 WeakPolarHBondContact O-CG 3.41Å; V47-R51 PolarHBondContact O-N 3.14Å; V47-T60 HydrophobicContact CG2-CG2 4.32Å; V47-V64 HydrophobicContact CG2-CG2 3.95Å
48L91.3Very high90.1Very high46 Ų4642.4 Ų42.424%0.24123%0.231CC..Hα-helixtrans-61.4-42.5175.6-68.3178.9000111.7V44 R51 Q52V44-L48 HydrophobicContact CG1-CD1 3.91Å; V44-L48 HydrophobicContact CG1-CG 4.25Å; V44-L48 WeakPolarHBondContact O-CG 3.47Å; V44-L48 PolarHBondContact O-N 3.49Å; L48-R51 PolarHBondContact O-N 2.83Å; L48-Q52 WeakPolarHBondContact O-CG 3.27Å; L48-Q52 PolarHBondContact O-N 2.94Å
49F92.6Very high89.9Confident18 Ų1841 Ų418%0.07922%0.221CC..Hα-helixtrans-59.5-45.5173.1170.5-103.6000111.9Q45 T46 V47 R51 Q52 Q53 F55 L63 V116 Y119Q45-F49 WeakPolarHBondContact O-CB 3.32Å; Q45-F49 PolarHBondContact O-N 3.5Å; T46-F49 PolarHBondContact O-N 2.96Å; V47-F49 VanDerWaalsContact C-N 3.34Å; V47-F49 PolarHBondContact O-N 2.97Å; F49-R51 VanDerWaalsContact C-N 3.28Å; F49-R51 PolarHBondContact O-N 3.41Å; F49-Q52 PolarHBondContact O-N 2.98Å; F49-Q52 VanDerWaalsContact O-N 3.16Å; F49-Q53 HydrophobicContact CD2-CG 4.13Å; F49-Q53 HydrophobicContact CE1-CG 4.15Å; F49-Q53 HydrophobicContact CE2-CG 3.64Å; F49-Q53 HydrophobicContact CZ-CG 3.65Å; F49-Q53 WeakPolarHBondContact O-CG 3.24Å; F49-Q53 PolarHBondContact O-N 3.36Å; F49-F55 AromaticContact CE1-CE2 3.93Å; F49-F55 HydrophobicContact CE1-CE2 3.93Å; F49-F55 HydrophobicContact CE1-CZ 4.46Å; F49-L63 HydrophobicContact CD1-CD2 3.93Å; F49-L63 HydrophobicContact CE1-CD2 4.06Å; F49-V116 HydrophobicContact CE1-CG2 4.29Å; F49-Y119 HydrophobicContact CB-CD2 4.11Å; F49-Y119 HydrophobicContact CB-CE1 4.39Å; F49-Y119 HydrophobicContact CB-CE2 3.63Å; F49-Y119 AromaticContact CD1-CD1 3.8Å; F49-Y119 HydrophobicContact CD1-CD1 3.8Å; F49-Y119 AromaticContact CD1-CD2 3.99Å; F49-Y119 HydrophobicContact CD1-CD2 3.99Å; F49-Y119 HydrophobicContact CD1-CE1 4.03Å; F49-Y119 HydrophobicContact CD1-CE2 4.21Å; F49-Y119 AromaticContact CD1-CG 3.78Å; F49-Y119 HydrophobicContact CD1-CG 3.78Å; F49-Y119 AromaticContact CD2-CD2 3.4Å; F49-Y119 HydrophobicContact CD2-CD2 3.4Å; F49-Y119 VanDerWaalsContact CD2-CD2 3.4Å; F49-Y119 AromaticContact CD2-CE2 3.81Å; F49-Y119 HydrophobicContact CD2-CE2 3.81Å; F49-Y119 AromaticContact CD2-CG 3.89Å; F49-Y119 HydrophobicContact CD2-CG 3.89Å; F49-Y119 AromaticContact CE1-CD1 3.93Å; F49-Y119 HydrophobicContact CE1-CD1 3.93Å; F49-Y119 HydrophobicContact CE1-CD2 4.25Å; F49-Y119 AromaticContact CE1-CG 3.73Å; F49-Y119 HydrophobicContact CE1-CG 3.73Å; F49-Y119 AromaticContact CE2-CD2 3.71Å; F49-Y119 HydrophobicContact CE2-CD2 3.71Å; F49-Y119 AromaticContact CE2-CG 3.84Å; F49-Y119 HydrophobicContact CE2-CG 3.84Å; F49-Y119 HydrophobicContact CG-CD1 4.18Å; F49-Y119 AromaticContact CG-CD2 3.55Å; F49-Y119 HydrophobicContact CG-CD2 3.55Å; F49-Y119 HydrophobicContact CG-CE1 4.23Å; F49-Y119 AromaticContact CG-CE2 3.61Å; F49-Y119 HydrophobicContact CG-CE2 3.61Å; F49-Y119 AromaticContact CG-CG 3.85Å; F49-Y119 HydrophobicContact CG-CG 3.85Å; F49-Y119 AromaticContact CG-CZ 3.96Å; F49-Y119 HydrophobicContact CZ-CD1 4.41Å; F49-Y119 HydrophobicContact CZ-CD2 4.12Å; F49-Y119 AromaticContact CZ-CG 3.76Å; F49-Y119 HydrophobicContact CZ-CG 3.76Å
50C90.9Very high89.8Confident0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-58.1-41.2176.6-67.50000112.5T46 V47 Q53 G54 F55 T60 L63T46-C50 PolarHBondContact O-N 2.98Å; T46-C50 PolarHBondContact O-SG 2.96Å; V47-C50 WeakPolarHBondContact O-CB 3.07Å; V47-C50 PolarHBondContact O-N 3.06Å; C50-Q53 PolarHBondContact O-N 3.34Å; C50-G54 PolarHBondContact O-N 3.05Å; C50-G54 VanDerWaalsContact O-N 3.09Å; C50-F55 HydrophobicContact CB-CB 4.19Å; C50-F55 HydrophobicContact CB-CD2 4.02Å; C50-F55 PolarHBondContact O-N 3.16Å; C50-T60 HydrophobicContact CB-CG2 3.78Å; C50-T60 WeakPolarHBondContact CB-OG1 3.04Å; C50-L63 VanDerWaalsContact SG-CD2 3.53Å
51R90.1Very high89.8Confident74 Ų7441.4 Ų41.428%0.27923%0.225SC..Hα-helixtrans-65.1-41.5176.7-71.8176.9176.2176.80.4112.1I10 D11 I13 V47 L48 F49 Q53 G54I10-R51 PolarHBondContact O-NH2 3.22Å; D11-R51 PolarHBondContact O-NH2 3.21Å; I13-R51 VanDerWaalsContact O-CZ 3.25Å; I13-R51 PolarHBondContact O-NH1 3.31Å; I13-R51 PolarHBondContact O-NH2 3.16Å; V47-R51 WeakPolarHBondContact O-CG 3.41Å; V47-R51 PolarHBondContact O-N 3.14Å; L48-R51 PolarHBondContact O-N 2.83Å; F49-R51 VanDerWaalsContact C-N 3.28Å; F49-R51 PolarHBondContact O-N 3.41Å; R51-Q53 VanDerWaalsContact C-N 3.3Å; R51-Q53 PolarHBondContact O-N 3.43Å; R51-G54 PolarHBondContact O-N 3.13Å
52Q90.4Very high89.6Confident151 Ų15137 Ų3771%0.70621%0.207SC*.Hα-helixtrans-63.4-36.9177.2-71.3173.214.900112.2L48 F49 G54L48-Q52 WeakPolarHBondContact O-CG 3.27Å; L48-Q52 PolarHBondContact O-N 2.94Å; F49-Q52 PolarHBondContact O-N 2.98Å; F49-Q52 VanDerWaalsContact O-N 3.16Å; Q52-G54 VanDerWaalsContact C-N 3.3Å
53Q88.8Confident89.6Confident88 Ų8836.5 Ų36.541%0.41120%0.204SC..THydrogen-bonded Turntrans-82.2-6177.3-63.1-61.4-31.200113.6F49 C50 R51 F55 C115F49-Q53 HydrophobicContact CD2-CG 4.13Å; F49-Q53 HydrophobicContact CE1-CG 4.15Å; F49-Q53 HydrophobicContact CE2-CG 3.64Å; F49-Q53 HydrophobicContact CZ-CG 3.65Å; F49-Q53 WeakPolarHBondContact O-CG 3.24Å; F49-Q53 PolarHBondContact O-N 3.36Å; C50-Q53 PolarHBondContact O-N 3.34Å; R51-Q53 VanDerWaalsContact C-N 3.3Å; R51-Q53 PolarHBondContact O-N 3.43Å; Q53-F55 VanDerWaalsContact C-N 3.33Å; Q53-F55 HydrophobicContact CB-CD1 3.81Å; Q53-F55 HydrophobicContact CB-CD2 4.3Å; Q53-F55 HydrophobicContact CB-CE1 3.54Å; Q53-F55 HydrophobicContact CB-CE2 4.05Å; Q53-F55 HydrophobicContact CB-CG 4.18Å; Q53-F55 HydrophobicContact CB-CZ 3.67Å; Q53-F55 HydrophobicContact CG-CE1 4.37Å; Q53-F55 HydrophobicContact CG-CE2 4.41Å; Q53-F55 HydrophobicContact CG-CZ 4.06Å; Q53-C115 PolarHBondContact NE2-SG 3.31Å; Q53-C115 PolarHBondContact OE1-SG 3.42Å
54G87.5Confident89.5Confident64 Ų6436.3 Ų36.366%0.6620%0.203SC*.THydrogen-bonded Turntrans69.228.3-178.500000114C50 R51 Q52C50-G54 PolarHBondContact O-N 3.05Å; C50-G54 VanDerWaalsContact O-N 3.09Å; R51-G54 PolarHBondContact O-N 3.13Å; Q52-G54 VanDerWaalsContact C-N 3.3Å
55F88.2Confident89.4Confident20 Ų2037 Ų379%0.08821%0.208CC..  trans-66.6146.3179.5-68.6-15.4000112.3F49 C50 Q53 Q59 L63 F108 E112 V116F49-F55 AromaticContact CE1-CE2 3.93Å; F49-F55 HydrophobicContact CE1-CE2 3.93Å; F49-F55 HydrophobicContact CE1-CZ 4.46Å; C50-F55 HydrophobicContact CB-CB 4.19Å; C50-F55 HydrophobicContact CB-CD2 4.02Å; C50-F55 PolarHBondContact O-N 3.16Å; Q53-F55 VanDerWaalsContact C-N 3.33Å; Q53-F55 HydrophobicContact CB-CD1 3.81Å; Q53-F55 HydrophobicContact CB-CD2 4.3Å; Q53-F55 HydrophobicContact CB-CE1 3.54Å; Q53-F55 HydrophobicContact CB-CE2 4.05Å; Q53-F55 HydrophobicContact CB-CG 4.18Å; Q53-F55 HydrophobicContact CB-CZ 3.67Å; Q53-F55 HydrophobicContact CG-CE1 4.37Å; Q53-F55 HydrophobicContact CG-CE2 4.41Å; Q53-F55 HydrophobicContact CG-CZ 4.06Å; F55-Q59 HydrophobicContact CB-CB 3.93Å; F55-Q59 HydrophobicContact CG-CB 4.34Å; F55-L63 HydrophobicContact CE2-CD2 4.37Å; F55-F108 HydrophobicContact CD2-CE1 4.4Å; F55-F108 HydrophobicContact CE2-CE1 4.32Å; F55-E112 HydrophobicContact CE1-CB 4.06Å; F55-E112 HydrophobicContact CE1-CG 3.87Å; F55-E112 HydrophobicContact CZ-CB 4.37Å; F55-V116 HydrophobicContact CE2-CG2 3.6Å; F55-V116 HydrophobicContact CZ-CG2 3.71Å
56S88.3Confident89.3Confident58 Ų5833.7 Ų33.741%0.40619%0.193SC..  trans-68.7158173.466.80000112A58 Q59 T60S56-A58 PolarHBondContact O-N 3.38Å; S56-A58 VanDerWaalsContact O-N 3.11Å; S56-Q59 WeakPolarHBondContact O-CA 3.37Å; S56-Q59 WeakPolarHBondContact O-CB 3.48Å; S56-Q59 PolarHBondContact O-N 3.06Å; S56-Q59 WeakPolarHBondContact OG-CG 3.36Å; S56-Q59 PolarHBondContact OG-N 3.09Å; S56-Q59 PolarHBondContact OG-OE1 2.85Å; S56-T60 PolarHBondContact O-N 3.32Å; S56-T60 PolarHBondContact O-OG1 3.38Å
57K85.6Confident89.3Confident59 Ų5933.8 Ų33.826%0.25719%0.193SC..Hα-helixtrans-51.1-39.4177.4-59.3-178.3-179.2-1770113E8 D11 S61E8-K57 IonicContact OE1-NZ 3.22Å; E8-K57 PolarHBondContact OE1-NZ 2.86Å; D11-K57 VanDerWaalsContact OD2-CE 3.31Å; D11-K57 WeakPolarHBondContact OD2-CE 3.19Å; K57-S61 WeakPolarHBondContact O-CB 3.4Å; K57-S61 PolarHBondContact O-N 2.88Å
58A85.5Confident89.3Confident51 Ų5136.6 Ų36.642%0.42121%0.205SC..Hα-helixtrans-69.3-40.9178.300000112.3S56 A62 L107S56-A58 PolarHBondContact O-N 3.38Å; S56-A58 VanDerWaalsContact O-N 3.11Å; A58-A62 WeakPolarHBondContact O-CB 3.39Å; A58-A62 PolarHBondContact O-N 2.63Å; A58-L107 HydrophobicContact CB-CD2 3.89Å
59Q87.5Confident89.2Confident16 Ų1636.1 Ų36.18%0.07521%0.206CC..Hα-helixtrans-64.9-42.1174.7-74.9168-43.800111.3F55 S56 A62 L63 L107 F108 E112F55-Q59 HydrophobicContact CB-CB 3.93Å; F55-Q59 HydrophobicContact CG-CB 4.34Å; S56-Q59 WeakPolarHBondContact O-CA 3.37Å; S56-Q59 WeakPolarHBondContact O-CB 3.48Å; S56-Q59 PolarHBondContact O-N 3.06Å; S56-Q59 WeakPolarHBondContact OG-CG 3.36Å; S56-Q59 PolarHBondContact OG-N 3.09Å; S56-Q59 PolarHBondContact OG-OE1 2.85Å; Q59-A62 PolarHBondContact O-N 3.31Å; Q59-L63 WeakPolarHBondContact O-CB 3.38Å; Q59-L63 PolarHBondContact O-N 3.21Å; Q59-L107 HydrophobicContact CG-CB 4.35Å; Q59-L107 WeakPolarHBondContact CG-O 3.41Å; Q59-L107 PolarHBondContact NE2-O 3.49Å; Q59-F108 HydrophobicContact CB-CD1 4.39Å; Q59-F108 HydrophobicContact CB-CE1 3.62Å; Q59-F108 HydrophobicContact CB-CZ 3.87Å; Q59-F108 HydrophobicContact CG-CD1 3.96Å; Q59-F108 HydrophobicContact CG-CE1 3.69Å; Q59-F108 HydrophobicContact CG-CZ 4.11Å; Q59-F108 WeakPolarHBondContact O-CZ 3.19Å; Q59-E112 PolarHBondContact NE2-OE1 3.01Å; Q59-E112 PolarHBondContact NE2-OE2 3.16Å
60T89.3Confident89.2Confident12 Ų1235.2 Ų35.27%0.07420%0.202CC..Hα-helixtrans-63.5-46.3176.5-51.90000111.9M7 V47 C50 S56 A62 L63 V64M7-T60 HydrophobicContact CE-CG2 3.58Å; V47-T60 HydrophobicContact CG2-CG2 4.32Å; C50-T60 HydrophobicContact CB-CG2 3.78Å; C50-T60 WeakPolarHBondContact CB-OG1 3.04Å; S56-T60 PolarHBondContact O-N 3.32Å; S56-T60 PolarHBondContact O-OG1 3.38Å; T60-A62 VanDerWaalsContact C-N 3.32Å; T60-A62 PolarHBondContact O-N 2.85Å; T60-L63 PolarHBondContact O-N 2.94Å; T60-V64 HydrophobicContact CG2-CG2 4.46Å; T60-V64 WeakPolarHBondContact O-CG2 3.47Å; T60-V64 PolarHBondContact O-N 3.28Å
61S88.6Confident89.2Confident18 Ų1835.5 Ų35.513%0.12620%0.203CC..Hα-helixtrans-58.8-44.5175.7179.50000111.7I2 K57 S65I2-S61 PolarHBondContact O-OG 3.18Å; K57-S61 WeakPolarHBondContact O-CB 3.4Å; K57-S61 PolarHBondContact O-N 2.88Å; S61-S65 WeakPolarHBondContact O-CB 3.17Å; S61-S65 PolarHBondContact O-N 2.74Å; S61-S65 PolarHBondContact O-OG 3.25Å
62A88.8Confident89.2Confident9 Ų936.7 Ų36.77%0.07421%0.212CC..Hα-helixtrans-61.9-46.517600000111.5A58 Q59 T60 V64 S65 I66 L107 F108A58-A62 WeakPolarHBondContact O-CB 3.39Å; A58-A62 PolarHBondContact O-N 2.63Å; Q59-A62 PolarHBondContact O-N 3.31Å; T60-A62 VanDerWaalsContact C-N 3.32Å; T60-A62 PolarHBondContact O-N 2.85Å; A62-V64 PolarHBondContact O-N 3.21Å; A62-S65 CarbonylContact O-C 3.39Å; A62-S65 WeakPolarHBondContact O-CB 3.27Å; A62-S65 PolarHBondContact O-N 3.23Å; A62-S65 VanDerWaalsContact O-N 3.17Å; A62-I66 VanDerWaalsContact O-CG1 3.25Å; A62-I66 WeakPolarHBondContact O-CG1 3.39Å; A62-I66 PolarHBondContact O-N 3.04Å; A62-L107 HydrophobicContact CB-CD1 3.87Å; A62-F108 HydrophobicContact CB-CE2 4.27Å; A62-F108 HydrophobicContact CB-CZ 4.49Å
63L90.5Very high89.1Confident0 Ų030.7 Ų30.70%019%0.188CC..Hα-helixtrans-64.5-43.8-178.9-17657000112.6T46 F49 C50 F55 Q59 T60 S65 I66 I67 V116 I120T46-L63 HydrophobicContact CG2-CD2 4.04Å; T46-L63 HydrophobicContact CG2-CG 3.87Å; F49-L63 HydrophobicContact CD1-CD2 3.93Å; F49-L63 HydrophobicContact CE1-CD2 4.06Å; C50-L63 VanDerWaalsContact SG-CD2 3.53Å; F55-L63 HydrophobicContact CE2-CD2 4.37Å; Q59-L63 WeakPolarHBondContact O-CB 3.38Å; Q59-L63 PolarHBondContact O-N 3.21Å; T60-L63 PolarHBondContact O-N 2.94Å; L63-S65 PolarHBondContact O-N 2.77Å; L63-I66 PolarHBondContact O-N 3.5Å; L63-I67 HydrophobicContact CD1-CD1 4.3Å; L63-I67 HydrophobicContact CD1-CG1 4.43Å; L63-I67 HydrophobicContact CG-CD1 4.31Å; L63-I67 PolarHBondContact O-N 2.82Å; L63-V116 HydrophobicContact CD1-CG1 3.43Å; L63-V116 VanDerWaalsContact CD1-CG1 3.43Å; L63-V116 HydrophobicContact CD2-CG1 4.46Å; L63-V116 HydrophobicContact CD2-CG2 4.31Å; L63-I120 HydrophobicContact CD1-CD1 4.12Å
64V89.4Confident89.2Confident1 Ų126.5 Ų26.51%0.00617%0.169CC..Hα-helixtrans-61.2-38.7175.3176.40000110.4I2 L27 Y43 T46 V47 T60 A62 I67 K68I2-V64 HydrophobicContact CD1-CB 3.93Å; I2-V64 HydrophobicContact CD1-CG1 3.72Å; I2-V64 HydrophobicContact CD1-CG2 4.5Å; L27-V64 HydrophobicContact CD1-CG1 4.2Å; L27-V64 HydrophobicContact CD2-CG1 4.47Å; Y43-V64 HydrophobicContact CD1-CG1 4.1Å; T46-V64 HydrophobicContact CG2-CG2 3.78Å; V47-V64 HydrophobicContact CG2-CG2 3.95Å; T60-V64 HydrophobicContact CG2-CG2 4.46Å; T60-V64 WeakPolarHBondContact O-CG2 3.47Å; T60-V64 PolarHBondContact O-N 3.28Å; A62-V64 PolarHBondContact O-N 3.21Å; V64-I67 PolarHBondContact O-N 3.42Å; V64-K68 WeakPolarHBondContact O-CB 3.38Å; V64-K68 PolarHBondContact O-N 2.87Å
65S89.4Confident89.3Confident16 Ų1625.3 Ų25.311%0.11215%0.146CC..Hα-helixtrans-68.5-38.3177-55.50000112.5S61 A62 L63 K68 S69S61-S65 WeakPolarHBondContact O-CB 3.17Å; S61-S65 PolarHBondContact O-N 2.74Å; S61-S65 PolarHBondContact O-OG 3.25Å; A62-S65 CarbonylContact O-C 3.39Å; A62-S65 WeakPolarHBondContact O-CB 3.27Å; A62-S65 PolarHBondContact O-N 3.23Å; A62-S65 VanDerWaalsContact O-N 3.17Å; L63-S65 PolarHBondContact O-N 2.77Å; S65-K68 PolarHBondContact O-N 3.05Å; S65-S69 WeakPolarHBondContact O-CB 3.38Å; S65-S69 PolarHBondContact O-N 3.44Å; S65-S69 PolarHBondContact O-OG 2.92Å
66I90.4Very high89.3Confident3 Ų332.2 Ų32.22%0.01518%0.179CC..Hα-helixtrans-61.6-49.3173.1-68.9166.5000109.9A62 L63 K68 S69 I70 L92 L93 I120A62-I66 VanDerWaalsContact O-CG1 3.25Å; A62-I66 WeakPolarHBondContact O-CG1 3.39Å; A62-I66 PolarHBondContact O-N 3.04Å; L63-I66 PolarHBondContact O-N 3.5Å; I66-K68 VanDerWaalsContact C-N 3.33Å; I66-K68 PolarHBondContact O-N 3.36Å; I66-S69 PolarHBondContact O-N 3.13Å; I66-S69 VanDerWaalsContact O-N 3.11Å; I66-I70 HydrophobicContact CG2-CD1 3.6Å; I66-I70 HydrophobicContact CG2-CG1 4.35Å; I66-I70 VanDerWaalsContact O-CG1 3.27Å; I66-I70 WeakPolarHBondContact O-CG1 2.99Å; I66-I70 PolarHBondContact O-N 3.31Å; I66-L92 HydrophobicContact CG1-CB 4.3Å; I66-L92 HydrophobicContact CG2-CB 4.39Å; I66-L92 HydrophobicContact CG2-CD1 4.24Å; I66-L93 HydrophobicContact CD1-CD2 3.89Å; I66-I120 HydrophobicContact CG2-CD1 4.31Å
67I91.5Very high89Confident2 Ų231.2 Ų31.21%0.0117%0.17CC..Hα-helixtrans-63.9-38.9179.3-73.6177000111.4L42 T46 L63 V64 S69 H71 Y119 I120L42-I67 HydrophobicContact CD1-CG2 4.26Å; L42-I67 HydrophobicContact CD2-CG2 3.93Å; L42-I67 HydrophobicContact CG-CG2 4Å; T46-I67 HydrophobicContact CG2-CD1 3.56Å; T46-I67 WeakPolarHBondContact OG1-CD1 3.3Å; L63-I67 HydrophobicContact CD1-CD1 4.3Å; L63-I67 HydrophobicContact CD1-CG1 4.43Å; L63-I67 HydrophobicContact CG-CD1 4.31Å; L63-I67 PolarHBondContact O-N 2.82Å; V64-I67 PolarHBondContact O-N 3.42Å; I67-S69 VanDerWaalsContact C-N 3.33Å; I67-S69 PolarHBondContact O-N 3.31Å; I67-H71 VanDerWaalsContact O-CA 3.3Å; I67-H71 WeakPolarHBondContact O-CA 3.32Å; I67-H71 WeakPolarHBondContact O-CB 3.47Å; I67-H71 PolarHBondContact O-N 3.4Å; I67-Y119 HydrophobicContact CD1-CE1 3.96Å; I67-I120 HydrophobicContact CD1-CG1 4.44Å; I67-I120 HydrophobicContact CG1-CG1 4.39Å
68K90.5Very high88.7Confident63 Ų6333.1 Ų33.127%0.27419%0.189SC..Hα-helixtrans-61.5-40.6172.2177.8175174.5175.60112.2Y43 V64 S65 I66 H71 E72Y43-K68 HydrophobicContact CE1-CB 4.15Å; V64-K68 WeakPolarHBondContact O-CB 3.38Å; V64-K68 PolarHBondContact O-N 2.87Å; S65-K68 PolarHBondContact O-N 3.05Å; I66-K68 VanDerWaalsContact C-N 3.33Å; I66-K68 PolarHBondContact O-N 3.36Å; K68-H71 WeakPolarHBondContact O-CA 3.29Å; K68-H71 PolarHBondContact O-N 2.89Å; K68-E72 WeakPolarHBondContact CE-OE1 3.49Å; K68-E72 IonicContact NZ-OE1 3.91Å; K68-E72 WeakPolarHBondContact O-CG 3.47Å; K68-E72 PolarHBondContact O-N 3.37Å
69S90.5Very high88.6Confident35 Ų3536.6 Ų36.625%0.24520%0.2CC..Hα-helixtrans-70-41.9-179.6-57.20000111.8S65 I66 I67 E72 A73S65-S69 WeakPolarHBondContact O-CB 3.38Å; S65-S69 PolarHBondContact O-N 3.44Å; S65-S69 PolarHBondContact O-OG 2.92Å; I66-S69 PolarHBondContact O-N 3.13Å; I66-S69 VanDerWaalsContact O-N 3.11Å; I67-S69 VanDerWaalsContact C-N 3.33Å; I67-S69 PolarHBondContact O-N 3.31Å; S69-E72 PolarHBondContact O-N 3.48Å; S69-A73 WeakPolarHBondContact O-CB 3.36Å; S69-A73 PolarHBondContact O-N 3.08Å; S69-A73 VanDerWaalsContact O-N 3.08Å
70I91.4Very high88.4Confident0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-65.3-45.9173.9-60.8162.6000109.7I66 E72 A73 N74 C85 Y88 C89 L92 I120 Y124I66-I70 HydrophobicContact CG2-CD1 3.6Å; I66-I70 HydrophobicContact CG2-CG1 4.35Å; I66-I70 VanDerWaalsContact O-CG1 3.27Å; I66-I70 WeakPolarHBondContact O-CG1 2.99Å; I66-I70 PolarHBondContact O-N 3.31Å; I70-E72 PolarHBondContact O-N 2.93Å; I70-A73 PolarHBondContact O-N 3.43Å; I70-N74 VanDerWaalsContact O-CB 3.29Å; I70-N74 WeakPolarHBondContact O-CB 3.26Å; I70-N74 PolarHBondContact O-N 3.37Å; I70-C85 HydrophobicContact CG2-CB 4.38Å; I70-Y88 HydrophobicContact CG1-CD1 4.47Å; I70-C89 HydrophobicContact CD1-CB 3.53Å; I70-C89 VanDerWaalsContact CD1-SG 3.57Å; I70-C89 HydrophobicContact CG1-CB 4.11Å; I70-L92 HydrophobicContact CG1-CD1 4.43Å; I70-I120 HydrophobicContact CD1-CD1 4.38Å; I70-I120 HydrophobicContact CD1-CG2 4.23Å; I70-Y124 HydrophobicContact CB-CE1 4.48Å; I70-Y124 HydrophobicContact CG2-CD1 3.95Å; I70-Y124 HydrophobicContact CG2-CE1 3.46Å; I70-Y124 VanDerWaalsContact CG2-CE1 3.46Å
71H91.5Very high88.3Confident5 Ų541.4 Ų41.42%0.02323%0.226CC..Hα-helixtrans-12.4-83.4151.6-156126.5000115.6L42 I67 K68 N74 I75 Y124 Y131 F135L42-H71 HydrophobicContact CD2-CB 4.5Å; I67-H71 VanDerWaalsContact O-CA 3.3Å; I67-H71 WeakPolarHBondContact O-CA 3.32Å; I67-H71 WeakPolarHBondContact O-CB 3.47Å; I67-H71 PolarHBondContact O-N 3.4Å; K68-H71 WeakPolarHBondContact O-CA 3.29Å; K68-H71 PolarHBondContact O-N 2.89Å; H71-N74 PolarHBondContact O-N 2.84Å; H71-I75 PolarHBondContact O-N 2.96Å; H71-Y124 HydrophobicContact CB-CE2 3.68Å; H71-Y124 WeakPolarHBondContact CB-OH 3.44Å; H71-Y124 AromaticContact ND1-CE2 3.83Å; H71-Y124 PolarHBondContact ND1-OH 3.3Å; H71-Y131 AromaticContact CE1-CD1 3.93Å; H71-Y131 AromaticContact ND1-CD1 3.93Å; H71-F135 AromaticContact CE1-CD2 3.51Å; H71-F135 AromaticContact CE1-CE2 3.82Å; H71-F135 AromaticContact CE1-CG 3.74Å; H71-F135 AromaticContact NE2-CD1 3.9Å; H71-F135 AromaticContact NE2-CG 3.79Å
72E89.7Confident88.1Confident99 Ų9942.6 Ų42.646%0.46323%0.234SC..Hα-helixtrans-63.3-44.8-175.1-69.4168.2176.500111.6K68 S69 I70 N74 I75 E76K68-E72 WeakPolarHBondContact CE-OE1 3.49Å; K68-E72 IonicContact NZ-OE1 3.91Å; K68-E72 WeakPolarHBondContact O-CG 3.47Å; K68-E72 PolarHBondContact O-N 3.37Å; S69-E72 PolarHBondContact O-N 3.48Å; I70-E72 PolarHBondContact O-N 2.93Å; E72-N74 VanDerWaalsContact C-N 3.28Å; E72-N74 PolarHBondContact O-N 2.84Å; E72-I75 VanDerWaalsContact O-CG1 3.24Å; E72-I75 WeakPolarHBondContact O-CG1 3.32Å; E72-I75 PolarHBondContact O-N 3.14Å; E72-E76 PolarHBondContact O-N 2.92Å; E72-E76 VanDerWaalsContact O-N 3.09Å
73A89.2Confident88.1Confident25 Ų2548.2 Ų48.221%0.20726%0.259CS..Hα-helixtrans-62.7-34.117800000112.8S69 I70 N81 Y88S69-A73 WeakPolarHBondContact O-CB 3.36Å; S69-A73 PolarHBondContact O-N 3.08Å; S69-A73 VanDerWaalsContact O-N 3.08Å; I70-A73 PolarHBondContact O-N 3.43Å; A73-N81 PolarHBondContact O-ND2 3.12Å; A73-Y88 HydrophobicContact CB-CD1 4.19Å; A73-Y88 HydrophobicContact CB-CE1 4.28Å
74N89.8Confident88Confident1 Ų154.6 Ų54.61%0.00529%0.288CS..Hα-helixtrans-70.6-35.1178.9-171.735000112.2I70 H71 E72 N81 Y124 K132I70-N74 VanDerWaalsContact O-CB 3.29Å; I70-N74 WeakPolarHBondContact O-CB 3.26Å; I70-N74 PolarHBondContact O-N 3.37Å; H71-N74 PolarHBondContact O-N 2.84Å; E72-N74 VanDerWaalsContact C-N 3.28Å; E72-N74 PolarHBondContact O-N 2.84Å; N74-N81 PolarHBondContact OD1-OD1 3.04Å; N74-N81 VanDerWaalsContact OD1-OD1 3.11Å; N74-Y124 WeakPolarHBondContact CB-OH 3.31Å; N74-Y124 PolarHBondContact ND2-OH 3.16Å; N74-K132 PolarHBondContact O-NZ 3Å; N74-K132 WeakPolarHBondContact OD1-CE 3.49Å; N74-K132 PolarHBondContact OD1-NZ 3.39Å
75I89.4Confident87.9Confident38 Ų3854.7 Ų54.720%0.19529%0.289CS..Hα-helixtrans-90.5-13.7-175.365.8167.8000113.5H71 E72 T77 F135H71-I75 PolarHBondContact O-N 2.96Å; E72-I75 VanDerWaalsContact O-CG1 3.24Å; E72-I75 WeakPolarHBondContact O-CG1 3.32Å; E72-I75 PolarHBondContact O-N 3.14Å; I75-T77 PolarHBondContact O-N 3.11Å; I75-F135 HydrophobicContact CB-CB 4.1Å; I75-F135 HydrophobicContact CD1-CB 4.28Å; I75-F135 HydrophobicContact CG2-CB 3.48Å; I75-F135 VanDerWaalsContact CG2-CB 3.48Å; I75-F135 HydrophobicContact CG2-CG 4.39Å
76E87.9Confident87.9Confident165 Ų16557.2 Ų57.277%0.77130%0.298SS*.SBendtrans-59.4-29.2179-173175.9-172.900112.6E72E72-E76 PolarHBondContact O-N 2.92Å; E72-E76 VanDerWaalsContact O-N 3.09Å
77T83.6Confident87.9Confident37 Ų3762.2 Ų62.223%0.22732%0.32CS..  trans-128.9136.2179.6-177.10000112.9I75 L79 N81 K132I75-T77 PolarHBondContact O-N 3.11Å; T77-L79 PolarHBondContact O-N 3.22Å; T77-L79 WeakPolarHBondContact OG1-CB 3.49Å; T77-L79 PolarHBondContact OG1-N 2.91Å; T77-N81 HydrophobicContact CG2-CB 4.01Å; T77-N81 VanDerWaalsContact CG2-ND2 3.33Å; T77-N81 WeakPolarHBondContact CG2-ND2 3.45Å; T77-K132 PolarHBondContact O-NZ 2.93Å
78P78.9Confident87.8Confident100 Ų10066.7 Ų66.765%0.64934%0.337SS*.SBendtrans-68.2-14.7170.328.8-34.3000112.8T136P78-T136 HydrophobicContact CB-CG2 3.76Å
79L82.3Confident87.8Confident124 Ų12463.7 Ų63.765%0.64932%0.324SS*.SBendtrans-74.9157.7180-57.5180000111T77 N81 K132T77-L79 PolarHBondContact O-N 3.22Å; T77-L79 WeakPolarHBondContact OG1-CB 3.49Å; T77-L79 PolarHBondContact OG1-N 2.91Å; L79-N81 PolarHBondContact O-N 2.96Å; L79-N81 VanDerWaalsContact O-N 3.16Å; L79-K132 WeakPolarHBondContact O-CE 3.34Å; L79-K132 PolarHBondContact O-NZ 2.71Å
80N84.5Confident87.8Confident118 Ų11864.2 Ų64.263%0.63132%0.324SS*.  trans-69.9110.5174.4-176.953.6000110S82N80-S82 PolarHBondContact OD1-OG 2.93Å
81N86.4Confident87.6Confident11 Ų1168.6 Ų68.66%0.05935%0.348CS..  trans-12223179.267.5-14.6000112.2A73 N74 T77 L79 E83 Q84 C85 K132A73-N81 PolarHBondContact O-ND2 3.12Å; N74-N81 PolarHBondContact OD1-OD1 3.04Å; N74-N81 VanDerWaalsContact OD1-OD1 3.11Å; T77-N81 HydrophobicContact CG2-CB 4.01Å; T77-N81 VanDerWaalsContact CG2-ND2 3.33Å; T77-N81 WeakPolarHBondContact CG2-ND2 3.45Å; L79-N81 PolarHBondContact O-N 2.96Å; L79-N81 VanDerWaalsContact O-N 3.16Å; N81-E83 VanDerWaalsContact C-N 3.31Å; N81-E83 PolarHBondContact O-N 3.33Å; N81-Q84 HydrophobicContact CB-CB 4.34Å; N81-Q84 WeakPolarHBondContact O-CA 3.24Å; N81-Q84 WeakPolarHBondContact O-CB 3.41Å; N81-Q84 PolarHBondContact O-N 3.44Å; N81-C85 PolarHBondContact O-N 3.21Å; N81-C85 PolarHBondContact O-SG 3.39Å; N81-C85 VanDerWaalsContact O-SG 3.42Å; N81-K132 WeakPolarHBondContact OD1-CE 3.42Å; N81-K132 PolarHBondContact OD1-NZ 3.03Å
82S84.5Confident87.4Confident43 Ų4369.8 Ų69.830%0.30135%0.354SS..Hα-helixtrans-54.9-41.9-175.758.60000113.8N80 C85 F86 D128N80-S82 PolarHBondContact OD1-OG 2.93Å; S82-C85 PolarHBondContact O-N 3Å; S82-F86 WeakPolarHBondContact O-CB 3.32Å; S82-F86 PolarHBondContact O-N 2.97Å; S82-D128 VanDerWaalsContact CB-OD2 3.31Å; S82-D128 WeakPolarHBondContact CB-OD2 3.18Å
83E87.9Confident87.3Confident126 Ų12665.2 Ų65.259%0.58933%0.333SS*.Hα-helixtrans-65.6-38.6176.1-167-170.3156.800112.1N81 F86 K87N81-E83 VanDerWaalsContact C-N 3.31Å; N81-E83 PolarHBondContact O-N 3.33Å; E83-F86 PolarHBondContact O-N 3.47Å; E83-K87 WeakPolarHBondContact O-CG 3.49Å; E83-K87 PolarHBondContact O-N 3.18Å; E83-K87 VanDerWaalsContact OE1-CE 3.24Å; E83-K87 WeakPolarHBondContact OE1-CE 3.48Å; E83-K87 IonicContact OE1-NZ 3.01Å; E83-K87 PolarHBondContact OE1-NZ 3.46Å
84Q89.1Confident87.1Confident134 Ų13468.7 Ų68.763%0.62635%0.347SS*.Hα-helixtrans-68.9-43.4177.8-64.3176.1-22.800110.8N81 F86 K87 Y88N81-Q84 HydrophobicContact CB-CB 4.34Å; N81-Q84 WeakPolarHBondContact O-CA 3.24Å; N81-Q84 WeakPolarHBondContact O-CB 3.41Å; N81-Q84 PolarHBondContact O-N 3.44Å; Q84-F86 VanDerWaalsContact C-N 3.28Å; Q84-F86 PolarHBondContact O-N 2.9Å; Q84-K87 PolarHBondContact O-N 3.25Å; Q84-Y88 WeakPolarHBondContact O-CB 3.47Å; Q84-Y88 PolarHBondContact O-N 3.48Å
85C88.6Confident86.6Confident3 Ų371.3 Ų71.32%0.0237%0.365CS..Hα-helixtrans-60-38.8174-68.40000111.7I70 N81 S82 C89 L125I70-C85 HydrophobicContact CG2-CB 4.38Å; N81-C85 PolarHBondContact O-N 3.21Å; N81-C85 PolarHBondContact O-SG 3.39Å; N81-C85 VanDerWaalsContact O-SG 3.42Å; S82-C85 PolarHBondContact O-N 3Å; C85-C89 VanDerWaalsContact O-CB 3.31Å; C85-C89 WeakPolarHBondContact O-CB 3.46Å; C85-C89 PolarHBondContact O-N 3.33Å; C85-L125 HydrophobicContact CB-CD2 4.17Å
86F88.9Confident86Confident69 Ų6972 Ų7230%0.30337%0.368SS..Hα-helixtrans-67.6-43.1175.3-178-105.6000112.5S82 E83 Q84 C89 N90 L117 L125S82-F86 WeakPolarHBondContact O-CB 3.32Å; S82-F86 PolarHBondContact O-N 2.97Å; E83-F86 PolarHBondContact O-N 3.47Å; Q84-F86 VanDerWaalsContact C-N 3.28Å; Q84-F86 PolarHBondContact O-N 2.9Å; F86-C89 WeakPolarHBondContact O-CB 3.38Å; F86-C89 PolarHBondContact O-N 3.18Å; F86-N90 WeakPolarHBondContact CD1-ND2 3.45Å; F86-N90 WeakPolarHBondContact CE1-ND2 3.46Å; F86-N90 VanDerWaalsContact CZ-ND2 3.32Å; F86-N90 WeakPolarHBondContact CZ-ND2 3.45Å; F86-N90 PolarHBondContact O-N 3.22Å; F86-N90 PolarHBondContact O-ND2 3.24Å; F86-N90 VanDerWaalsContact O-ND2 3.12Å; F86-L117 HydrophobicContact CE2-CD1 4.03Å; F86-L125 HydrophobicContact CB-CD1 4.22Å; F86-L125 HydrophobicContact CD2-CD1 3.6Å; F86-L125 HydrophobicContact CG-CD1 4.4Å
87K90.4Very high85.2Confident109 Ų10965.2 Ų65.247%0.47434%0.339SS..Hα-helixtrans-60.7-46.9173.9-74.3176.6-174.8167.30111.1E83 Q84 C89 N90 D91E83-K87 WeakPolarHBondContact O-CG 3.49Å; E83-K87 PolarHBondContact O-N 3.18Å; E83-K87 VanDerWaalsContact OE1-CE 3.24Å; E83-K87 WeakPolarHBondContact OE1-CE 3.48Å; E83-K87 IonicContact OE1-NZ 3.01Å; E83-K87 PolarHBondContact OE1-NZ 3.46Å; Q84-K87 PolarHBondContact O-N 3.25Å; K87-C89 VanDerWaalsContact C-N 3.33Å; K87-C89 PolarHBondContact O-N 3.47Å; K87-N90 WeakPolarHBondContact O-CB 3.12Å; K87-N90 PolarHBondContact O-N 3.09Å; K87-N90 VanDerWaalsContact O-N 3.14Å; K87-D91 PolarHBondContact O-N 3.43Å
88Y89.9Confident84.2Confident96 Ų9666.8 Ų66.838%0.37635%0.348SS..Hα-helixtrans-61-40.9177.5-174.4-124.6000112.5I70 A73 Q84 N90 D91 L92I70-Y88 HydrophobicContact CG1-CD1 4.47Å; A73-Y88 HydrophobicContact CB-CD1 4.19Å; A73-Y88 HydrophobicContact CB-CE1 4.28Å; Q84-Y88 WeakPolarHBondContact O-CB 3.47Å; Q84-Y88 PolarHBondContact O-N 3.48Å; Y88-N90 PolarHBondContact O-N 2.78Å; Y88-D91 PolarHBondContact O-N 2.92Å; Y88-L92 HydrophobicContact CD1-CD1 3.96Å; Y88-L92 HydrophobicContact CD2-CG 4.38Å; Y88-L92 HydrophobicContact CE1-CD1 3.58Å; Y88-L92 HydrophobicContact CE1-CG 4.3Å; Y88-L92 HydrophobicContact CE2-CD1 4.24Å; Y88-L92 HydrophobicContact CE2-CD2 4.18Å; Y88-L92 HydrophobicContact CE2-CG 4.07Å; Y88-L92 HydrophobicContact CG-CD1 4.46Å; Y88-L92 WeakPolarHBondContact O-CB 3.31Å; Y88-L92 WeakPolarHBondContact O-CG 3.38Å; Y88-L92 PolarHBondContact O-N 2.74Å
89C89.6Confident83.2Confident0 Ų071.5 Ų71.50%035%0.353CS..Hα-helixtrans-58.6-46.7173.3177.40000112I70 C85 F86 K87 L92 L93I70-C89 HydrophobicContact CD1-CB 3.53Å; I70-C89 VanDerWaalsContact CD1-SG 3.57Å; I70-C89 HydrophobicContact CG1-CB 4.11Å; C85-C89 VanDerWaalsContact O-CB 3.31Å; C85-C89 WeakPolarHBondContact O-CB 3.46Å; C85-C89 PolarHBondContact O-N 3.33Å; F86-C89 WeakPolarHBondContact O-CB 3.38Å; F86-C89 PolarHBondContact O-N 3.18Å; K87-C89 VanDerWaalsContact C-N 3.33Å; K87-C89 PolarHBondContact O-N 3.47Å; C89-L92 PolarHBondContact O-N 2.91Å; C89-L93 WeakPolarHBondContact O-CB 3.42Å; C89-L93 WeakPolarHBondContact O-CG 3.36Å; C89-L93 PolarHBondContact O-N 3.43Å
90N89.8Confident82Confident45 Ų4574.5 Ų74.524%0.24136%0.355CS..Hα-helixtrans-62.9-43177.1-78.6-52.1000112F86 K87 Y88 L93 L94 L117F86-N90 WeakPolarHBondContact CD1-ND2 3.45Å; F86-N90 WeakPolarHBondContact CE1-ND2 3.46Å; F86-N90 VanDerWaalsContact CZ-ND2 3.32Å; F86-N90 WeakPolarHBondContact CZ-ND2 3.45Å; F86-N90 PolarHBondContact O-N 3.22Å; F86-N90 PolarHBondContact O-ND2 3.24Å; F86-N90 VanDerWaalsContact O-ND2 3.12Å; K87-N90 WeakPolarHBondContact O-CB 3.12Å; K87-N90 PolarHBondContact O-N 3.09Å; K87-N90 VanDerWaalsContact O-N 3.14Å; Y88-N90 PolarHBondContact O-N 2.78Å; N90-L93 PolarHBondContact O-N 3.39Å; N90-L94 WeakPolarHBondContact O-CB 3.35Å; N90-L94 VanDerWaalsContact O-CG 3.27Å; N90-L94 WeakPolarHBondContact O-CG 3.43Å; N90-L94 PolarHBondContact O-N 3.42Å; N90-L117 WeakPolarHBondContact OD1-CD1 3.46Å
91D88.9Confident80.4Confident93 Ų9374 Ų7450%0.49736%0.359SS..Hα-helixtrans-63.2-43.3179-69.2-22.3000111.5K87 Y88 L94 C95K87-D91 PolarHBondContact O-N 3.43Å; Y88-D91 PolarHBondContact O-N 2.92Å; D91-L94 PolarHBondContact O-N 3.38Å; D91-C95 PolarHBondContact O-N 2.95Å; D91-C95 PolarHBondContact O-SG 3.02Å
92L87.2Confident79.2Confident29 Ų2978.9 Ų78.915%0.15239%0.391CS..Hα-helixtrans-62-47.6174-72177.1000111.5I66 I70 Y88 C89 L94 C95 H96I66-L92 HydrophobicContact CG1-CB 4.3Å; I66-L92 HydrophobicContact CG2-CB 4.39Å; I66-L92 HydrophobicContact CG2-CD1 4.24Å; I70-L92 HydrophobicContact CG1-CD1 4.43Å; Y88-L92 HydrophobicContact CD1-CD1 3.96Å; Y88-L92 HydrophobicContact CD2-CG 4.38Å; Y88-L92 HydrophobicContact CE1-CD1 3.58Å; Y88-L92 HydrophobicContact CE1-CG 4.3Å; Y88-L92 HydrophobicContact CE2-CD1 4.24Å; Y88-L92 HydrophobicContact CE2-CD2 4.18Å; Y88-L92 HydrophobicContact CE2-CG 4.07Å; Y88-L92 HydrophobicContact CG-CD1 4.46Å; Y88-L92 WeakPolarHBondContact O-CB 3.31Å; Y88-L92 WeakPolarHBondContact O-CG 3.38Å; Y88-L92 PolarHBondContact O-N 2.74Å; C89-L92 PolarHBondContact O-N 2.91Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.17Å; L92-C95 WeakPolarHBondContact O-CB 3.49Å; L92-C95 PolarHBondContact O-N 3.24Å; L92-C95 VanDerWaalsContact O-N 3.13Å; L92-H96 PolarHBondContact O-CD2 3.11Å; L92-H96 PolarHBondContact O-N 2.97Å
93L87.3Confident77.8Confident3 Ų385.5 Ų85.52%0.01641%0.414CS..Hα-helixtrans-60.6-40.5177.5-76.3169.8000111.8I66 C89 N90 C95 H96 S97 V113 V116 L117 I120I66-L93 HydrophobicContact CD1-CD2 3.89Å; C89-L93 WeakPolarHBondContact O-CB 3.42Å; C89-L93 WeakPolarHBondContact O-CG 3.36Å; C89-L93 PolarHBondContact O-N 3.43Å; N90-L93 PolarHBondContact O-N 3.39Å; L93-C95 VanDerWaalsContact C-N 3.32Å; L93-C95 PolarHBondContact O-N 3.42Å; L93-H96 CarbonylContact O-C 3.09Å; L93-H96 PolarHBondContact O-N 3.24Å; L93-H96 VanDerWaalsContact O-N 3.09Å; L93-S97 VanDerWaalsContact O-CB 3.3Å; L93-S97 WeakPolarHBondContact O-CB 3.49Å; L93-S97 PolarHBondContact O-N 2.83Å; L93-S97 PolarHBondContact O-OG 2.91Å; L93-V113 HydrophobicContact CB-CG1 4.49Å; L93-V116 HydrophobicContact CD1-CG1 4.37Å; L93-V116 HydrophobicContact CD2-CB 4.45Å; L93-V116 HydrophobicContact CD2-CG1 3.65Å; L93-L117 HydrophobicContact CD1-CB 4.29Å; L93-L117 HydrophobicContact CD1-CD1 3.87Å; L93-I120 HydrophobicContact CD1-CD1 4.49Å
94L84.3Confident76.4Confident98 Ų9880.1 Ų80.151%0.51339%0.391SS..Hα-helixtrans-60.7-40.4175.1-76.9166.7000111.8N90 D91 L92 H96 S97 V98N90-L94 WeakPolarHBondContact O-CB 3.35Å; N90-L94 VanDerWaalsContact O-CG 3.27Å; N90-L94 WeakPolarHBondContact O-CG 3.43Å; N90-L94 PolarHBondContact O-N 3.42Å; D91-L94 PolarHBondContact O-N 3.38Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.17Å; L94-H96 PolarHBondContact O-N 3.02Å; L94-S97 PolarHBondContact O-N 3.5Å; L94-S97 VanDerWaalsContact O-N 3.16Å; L94-V98 HydrophobicContact CD2-CG2 4.38Å; L94-V98 PolarHBondContact O-N 2.99Å
95C79.8Confident75.3Confident57 Ų5778.2 Ų78.239%0.38539%0.388SS..Hα-helixtrans-63.3-27.2175-65.20000113.1D91 L92 L93 S104 V105D91-C95 PolarHBondContact O-N 2.95Å; D91-C95 PolarHBondContact O-SG 3.02Å; L92-C95 WeakPolarHBondContact O-CB 3.49Å; L92-C95 PolarHBondContact O-N 3.24Å; L92-C95 VanDerWaalsContact O-N 3.13Å; L93-C95 VanDerWaalsContact C-N 3.32Å; L93-C95 PolarHBondContact O-N 3.42Å; C95-S104 WeakPolarHBondContact O-CA 3.25Å; C95-S104 WeakPolarHBondContact O-CB 3.49Å; C95-V105 PolarHBondContact O-N 2.98Å
96H75.9Confident74.6Confident52 Ų5284.7 Ų84.724%0.24142%0.416CS..THydrogen-bonded Turntrans-96.82176.9-64.2-67.3000114L92 L93 L94 V105 L107 F108L92-H96 PolarHBondContact O-CD2 3.11Å; L92-H96 PolarHBondContact O-N 2.97Å; L93-H96 CarbonylContact O-C 3.09Å; L93-H96 PolarHBondContact O-N 3.24Å; L93-H96 VanDerWaalsContact O-N 3.09Å; L94-H96 PolarHBondContact O-N 3.02Å; H96-V105 CarbonylContact C-O 3.41Å; H96-V105 WeakPolarHBondContact CA-O 3.34Å; H96-L107 HydrophobicContact CB-CD1 4.47Å; H96-L107 PolarHBondContact O-N 3.46Å; H96-F108 HydrophobicContact CB-CD2 3.92Å; H96-F108 HydrophobicContact CB-CE2 4.07Å; H96-F108 PolarHBondContact O-N 2.87Å
97S72.6Confident74.2Confident23 Ų2383.6 Ų83.616%0.16141%0.413CS..THydrogen-bonded Turntrans-117.2-34.4-176-55.20000112.9L93 L94 V113L93-S97 VanDerWaalsContact O-CB 3.3Å; L93-S97 WeakPolarHBondContact O-CB 3.49Å; L93-S97 PolarHBondContact O-N 2.83Å; L93-S97 PolarHBondContact O-OG 2.91Å; L94-S97 PolarHBondContact O-N 3.5Å; L94-S97 VanDerWaalsContact O-N 3.16Å; S97-V113 WeakPolarHBondContact OG-CG2 3.42Å
98V62.3Low73.9Confident70 Ų7078.6 Ų78.642%0.42439%0.391SS..SBendtrans-94.6139.7-179.1-176.20000109.7L94 R100 S104L94-V98 HydrophobicContact CD2-CG2 4.38Å; L94-V98 PolarHBondContact O-N 2.99Å; V98-R100 HydrophobicContact CG1-CG 4.25Å; V98-S104 CarbonylContact O-C 3.6Å; V98-S104 WeakPolarHBondContact O-CB 3.34Å; V98-S104 PolarHBondContact O-OG 3.42Å
99R57.1Low73.7Confident198 Ų19876.3 Ų76.375%0.74739%0.39SS*.  trans-93.1100.4178.2-161.7-178.1-179.3130.10.3110.8K106R99-K106 HydrophobicContact CB-CB 4.19Å
100R58.1Low73.5Confident187 Ų18782.6 Ų82.671%0.70642%0.422SS*.BIsolated β-bridgetrans-140.588173.7-69.6-130.7-88.3-138-1.2109.2V98 F103 S104V98-R100 HydrophobicContact CG1-CG 4.25Å; R100-F103 PolarHBondContact O-N 3.25Å; R100-S104 WeakPolarHBondContact CA-OG 3.31Å; R100-S104 VanDerWaalsContact CB-OG 3.27Å; R100-S104 WeakPolarHBondContact CB-OG 3.27Å; R100-S104 PolarHBondContact N-O 3.48Å; R100-S104 PolarHBondContact N-OG 3.29Å; R100-S104 PolarHBondContact O-N 3.42Å; R100-S104 PolarHBondContact O-OG 3.19Å
101P49.1Very low73.4Confident109 Ų10986.5 Ų86.571%0.70844%0.443SS*.THydrogen-bonded Turntrans-57139.6168.7-18.230.9000109.7
102P61.2Low73.4Confident112 Ų11284.5 Ų84.573%0.72743%0.431SS*.THydrogen-bonded Turncis-89.9-0.1735-35.7000116
103F55.7Low73.5Confident182 Ų18284.2 Ų84.280%0.79843%0.43SS*.THydrogen-bonded Turntrans-103.2-21.8-165.1-57.3-70.1000115.5R100R100-F103 PolarHBondContact O-N 3.25Å
104S59Low73.7Confident14 Ų1487.7 Ų87.710%0.09845%0.449CS..BIsolated β-bridgetrans-136.5128-17079.40000113.3C95 V98 R100C95-S104 WeakPolarHBondContact O-CA 3.25Å; C95-S104 WeakPolarHBondContact O-CB 3.49Å; V98-S104 CarbonylContact O-C 3.6Å; V98-S104 WeakPolarHBondContact O-CB 3.34Å; V98-S104 PolarHBondContact O-OG 3.42Å; R100-S104 WeakPolarHBondContact CA-OG 3.31Å; R100-S104 VanDerWaalsContact CB-OG 3.27Å; R100-S104 WeakPolarHBondContact CB-OG 3.27Å; R100-S104 PolarHBondContact N-O 3.48Å; R100-S104 PolarHBondContact N-OG 3.29Å; R100-S104 PolarHBondContact O-N 3.42Å; R100-S104 PolarHBondContact O-OG 3.19Å
105V65.1Low74Confident93 Ų9384.7 Ų84.756%0.56444%0.436SS*.  trans-112.6130-177.7-177.80000107.5C95 H96 L107C95-V105 PolarHBondContact O-N 2.98Å; H96-V105 CarbonylContact C-O 3.41Å; H96-V105 WeakPolarHBondContact CA-O 3.34Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 HydrophobicContact CB-CG 4.41Å; V105-L107 HydrophobicContact CG1-CD2 4.32Å; V105-L107 HydrophobicContact CG1-CG 4.06Å; V105-L107 PolarHBondContact O-N 2.93Å
106K75Confident74.6Confident139 Ų13982 Ų8260%0.60442%0.418SS*.  trans-74.587.5175.3-176.9177.6-177.7-179.60109.6R99R99-K106 HydrophobicContact CB-CB 4.19Å
107L80.4Confident75.4Confident47 Ų4780.9 Ų80.925%0.24641%0.413CS..  trans-93.1-36.6174.7-72.4168.7000111.7A58 Q59 A62 H96 V105A58-L107 HydrophobicContact CB-CD2 3.89Å; Q59-L107 HydrophobicContact CG-CB 4.35Å; Q59-L107 WeakPolarHBondContact CG-O 3.41Å; Q59-L107 PolarHBondContact NE2-O 3.49Å; A62-L107 HydrophobicContact CB-CD1 3.87Å; H96-L107 HydrophobicContact CB-CD1 4.47Å; H96-L107 PolarHBondContact O-N 3.46Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 HydrophobicContact CB-CG 4.41Å; V105-L107 HydrophobicContact CG1-CD2 4.32Å; V105-L107 HydrophobicContact CG1-CG 4.06Å; V105-L107 PolarHBondContact O-N 2.93Å
108F83.5Confident76.4Confident3 Ų384.1 Ų84.11%0.01343%0.429CS..SBendtrans-110.1143.9-178.5-59.8-80.9000112.1F55 Q59 A62 H96 E112 V113 V116F55-F108 HydrophobicContact CD2-CE1 4.4Å; F55-F108 HydrophobicContact CE2-CE1 4.32Å; Q59-F108 HydrophobicContact CB-CD1 4.39Å; Q59-F108 HydrophobicContact CB-CE1 3.62Å; Q59-F108 HydrophobicContact CB-CZ 3.87Å; Q59-F108 HydrophobicContact CG-CD1 3.96Å; Q59-F108 HydrophobicContact CG-CE1 3.69Å; Q59-F108 HydrophobicContact CG-CZ 4.11Å; Q59-F108 WeakPolarHBondContact O-CZ 3.19Å; A62-F108 HydrophobicContact CB-CE2 4.27Å; A62-F108 HydrophobicContact CB-CZ 4.49Å; H96-F108 HydrophobicContact CB-CD2 3.92Å; H96-F108 HydrophobicContact CB-CE2 4.07Å; H96-F108 PolarHBondContact O-N 2.87Å; F108-E112 HydrophobicContact CB-CB 4.4Å; F108-E112 HydrophobicContact CD1-CB 4.19Å; F108-V113 HydrophobicContact CB-CG2 3.56Å; F108-V116 HydrophobicContact CE1-CG2 4.31Å
109S85.9Confident77.8Confident49 Ų4981.4 Ų81.434%0.34341%0.411SS..  trans-82.4163.5164.666.30000110.9D111 E112 V113S109-D111 VanDerWaalsContact C-N 3.27Å; S109-D111 PolarHBondContact O-N 2.89Å; S109-E112 WeakPolarHBondContact CB-OE2 3.42Å; S109-E112 PolarHBondContact N-OE2 3.33Å; S109-E112 PolarHBondContact O-N 3.4Å; S109-E112 WeakPolarHBondContact OG-CG 3.34Å; S109-E112 PolarHBondContact OG-OE2 3.45Å; S109-V113 VanDerWaalsContact O-CG2 3.26Å; S109-V113 WeakPolarHBondContact O-CG2 3.17Å; S109-V113 PolarHBondContact O-N 2.98Å
110L85.3Confident79.5Confident131 Ų13172 Ų7269%0.68638%0.375SS*.Hα-helixtrans-58-40.1-176.6-17567000112.5V113 N114L110-V113 PolarHBondContact O-N 3.39Å; L110-N114 PolarHBondContact O-N 3Å; L110-N114 VanDerWaalsContact O-N 3.13Å; L110-N114 PolarHBondContact O-ND2 3.09Å; L110-N114 VanDerWaalsContact O-ND2 3.14Å
111D87.6Confident81Confident127 Ų12767.5 Ų67.568%0.67936%0.363SS*.Hα-helixtrans-69-41-179.9-61.3-34.5000111.5S109 V113 N114 C115S109-D111 VanDerWaalsContact C-N 3.27Å; S109-D111 PolarHBondContact O-N 2.89Å; D111-V113 VanDerWaalsContact C-N 3.35Å; D111-N114 PolarHBondContact O-N 2.92Å; D111-C115 PolarHBondContact O-N 3.24Å
112E89.2Confident83Confident52 Ų5266.6 Ų66.624%0.24335%0.352CS..Hα-helixtrans-64.7-39.2175.5-65.9168.4137.700111.4F55 Q59 F108 S109 N114 C115 V116F55-E112 HydrophobicContact CE1-CB 4.06Å; F55-E112 HydrophobicContact CE1-CG 3.87Å; F55-E112 HydrophobicContact CZ-CB 4.37Å; Q59-E112 PolarHBondContact NE2-OE1 3.01Å; Q59-E112 PolarHBondContact NE2-OE2 3.16Å; F108-E112 HydrophobicContact CB-CB 4.4Å; F108-E112 HydrophobicContact CD1-CB 4.19Å; S109-E112 WeakPolarHBondContact CB-OE2 3.42Å; S109-E112 PolarHBondContact N-OE2 3.33Å; S109-E112 PolarHBondContact O-N 3.4Å; S109-E112 WeakPolarHBondContact OG-CG 3.34Å; S109-E112 PolarHBondContact OG-OE2 3.45Å; E112-N114 PolarHBondContact O-N 3.43Å; E112-C115 WeakPolarHBondContact O-CB 3.41Å; E112-C115 PolarHBondContact O-N 3.01Å; E112-V116 WeakPolarHBondContact O-CB 3.32Å; E112-V116 VanDerWaalsContact O-CG2 3.29Å; E112-V116 WeakPolarHBondContact O-CG2 3.29Å; E112-V116 PolarHBondContact O-N 3.21Å
113V89.9Confident84.3Confident22 Ų2265.3 Ų65.313%0.13334%0.336CS..Hα-helixtrans-61-45.8176.11740000111L93 S97 F108 S109 L110 D111 C115 V116 L117L93-V113 HydrophobicContact CB-CG1 4.49Å; S97-V113 WeakPolarHBondContact OG-CG2 3.42Å; F108-V113 HydrophobicContact CB-CG2 3.56Å; S109-V113 VanDerWaalsContact O-CG2 3.26Å; S109-V113 WeakPolarHBondContact O-CG2 3.17Å; S109-V113 PolarHBondContact O-N 2.98Å; L110-V113 PolarHBondContact O-N 3.39Å; D111-V113 VanDerWaalsContact C-N 3.35Å; V113-C115 VanDerWaalsContact C-N 3.3Å; V113-C115 PolarHBondContact O-N 3.42Å; V113-V116 PolarHBondContact O-N 3Å; V113-L117 VanDerWaalsContact O-CB 3.32Å; V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.27Å
114N90.4Very high85.9Confident77 Ų7756.8 Ų56.841%0.41230%0.298SS..Hα-helixtrans-62.7-40.2177.5-70.6-38000111.3L110 D111 E112 L117 N118L110-N114 PolarHBondContact O-N 3Å; L110-N114 VanDerWaalsContact O-N 3.13Å; L110-N114 PolarHBondContact O-ND2 3.09Å; L110-N114 VanDerWaalsContact O-ND2 3.14Å; D111-N114 PolarHBondContact O-N 2.92Å; E112-N114 PolarHBondContact O-N 3.43Å; N114-L117 PolarHBondContact O-N 3.23Å; N114-N118 WeakPolarHBondContact O-CB 3.24Å; N114-N118 PolarHBondContact O-N 3.34Å; N114-N118 PolarHBondContact O-ND2 3.33Å
115C91.9Very high87.3Confident35 Ų3557.2 Ų57.224%0.23630%0.299CS..Hα-helixtrans-61.7-46.9175.8-169.10000111.7Q53 D111 E112 V113 Y119Q53-C115 PolarHBondContact NE2-SG 3.31Å; Q53-C115 PolarHBondContact OE1-SG 3.42Å; D111-C115 PolarHBondContact O-N 3.24Å; E112-C115 WeakPolarHBondContact O-CB 3.41Å; E112-C115 PolarHBondContact O-N 3.01Å; V113-C115 VanDerWaalsContact C-N 3.3Å; V113-C115 PolarHBondContact O-N 3.42Å; C115-Y119 WeakPolarHBondContact O-CB 3.29Å; C115-Y119 PolarHBondContact O-N 2.93Å
116V92.3Very high88.5Confident0 Ų061.8 Ų61.80%031%0.307CS..Hα-helixtrans-63.2-43.8176.9168.90000111.7F49 F55 L63 L93 F108 E112 V113 Y119 I120F49-V116 HydrophobicContact CE1-CG2 4.29Å; F55-V116 HydrophobicContact CE2-CG2 3.6Å; F55-V116 HydrophobicContact CZ-CG2 3.71Å; L63-V116 HydrophobicContact CD1-CG1 3.43Å; L63-V116 VanDerWaalsContact CD1-CG1 3.43Å; L63-V116 HydrophobicContact CD2-CG1 4.46Å; L63-V116 HydrophobicContact CD2-CG2 4.31Å; L93-V116 HydrophobicContact CD1-CG1 4.37Å; L93-V116 HydrophobicContact CD2-CB 4.45Å; L93-V116 HydrophobicContact CD2-CG1 3.65Å; F108-V116 HydrophobicContact CE1-CG2 4.31Å; E112-V116 WeakPolarHBondContact O-CB 3.32Å; E112-V116 VanDerWaalsContact O-CG2 3.29Å; E112-V116 WeakPolarHBondContact O-CG2 3.29Å; E112-V116 PolarHBondContact O-N 3.21Å; V113-V116 PolarHBondContact O-N 3Å; V116-Y119 WeakPolarHBondContact O-CB 3.42Å; V116-Y119 PolarHBondContact O-N 3.2Å; V116-I120 HydrophobicContact CG1-CD1 3.73Å; V116-I120 HydrophobicContact CG1-CG1 4.35Å; V116-I120 WeakPolarHBondContact O-CG1 3.3Å; V116-I120 PolarHBondContact O-N 3.29Å
117L91.9Very high89.1Confident29 Ų2959.4 Ų59.415%0.15230%0.297CS..Hα-helixtrans-62.6-45.8-179.4-17468.2000111.1F86 N90 L93 V113 N114 Y119 I120 Q121F86-L117 HydrophobicContact CE2-CD1 4.03Å; N90-L117 WeakPolarHBondContact OD1-CD1 3.46Å; L93-L117 HydrophobicContact CD1-CB 4.29Å; L93-L117 HydrophobicContact CD1-CD1 3.87Å; V113-L117 VanDerWaalsContact O-CB 3.32Å; V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.27Å; N114-L117 PolarHBondContact O-N 3.23Å; L117-Y119 VanDerWaalsContact C-N 3.33Å; L117-Y119 PolarHBondContact O-N 3.12Å; L117-I120 PolarHBondContact O-N 2.93Å; L117-Q121 WeakPolarHBondContact O-CB 3.33Å; L117-Q121 PolarHBondContact O-N 2.89Å
118N92.6Very high89.4Confident90 Ų9057.9 Ų57.948%0.48129%0.29SS..Hα-helixtrans-60.4-44.2175.1-70.2-23.5000111.1N114 I120 Q121 D122N114-N118 WeakPolarHBondContact O-CB 3.24Å; N114-N118 PolarHBondContact O-N 3.34Å; N114-N118 PolarHBondContact O-ND2 3.33Å; N118-I120 PolarHBondContact O-N 3.02Å; N118-Q121 PolarHBondContact O-N 3.49Å; N118-D122 WeakPolarHBondContact O-CB 3.36Å; N118-D122 PolarHBondContact O-N 2.9Å
119Y93.1Very high89.6Confident13 Ų1367.1 Ų67.15%0.05132%0.324CS..Hα-helixtrans-58.5-49176.1171.9-98.1000112.3Q45 T46 F49 I67 C115 V116 L117 Q121 D122 H123Q45-Y119 VanDerWaalsContact C-OH 3.28Å; Q45-Y119 PolarHBondContact O-OH 3.48Å; T46-Y119 WeakPolarHBondContact CA-OH 3.35Å; T46-Y119 PolarHBondContact N-OH 3.49Å; F49-Y119 HydrophobicContact CB-CD2 4.11Å; F49-Y119 HydrophobicContact CB-CE1 4.39Å; F49-Y119 HydrophobicContact CB-CE2 3.63Å; F49-Y119 AromaticContact CD1-CD1 3.8Å; F49-Y119 HydrophobicContact CD1-CD1 3.8Å; F49-Y119 AromaticContact CD1-CD2 3.99Å; F49-Y119 HydrophobicContact CD1-CD2 3.99Å; F49-Y119 HydrophobicContact CD1-CE1 4.03Å; F49-Y119 HydrophobicContact CD1-CE2 4.21Å; F49-Y119 AromaticContact CD1-CG 3.78Å; F49-Y119 HydrophobicContact CD1-CG 3.78Å; F49-Y119 AromaticContact CD2-CD2 3.4Å; F49-Y119 HydrophobicContact CD2-CD2 3.4Å; F49-Y119 VanDerWaalsContact CD2-CD2 3.4Å; F49-Y119 AromaticContact CD2-CE2 3.81Å; F49-Y119 HydrophobicContact CD2-CE2 3.81Å; F49-Y119 AromaticContact CD2-CG 3.89Å; F49-Y119 HydrophobicContact CD2-CG 3.89Å; F49-Y119 AromaticContact CE1-CD1 3.93Å; F49-Y119 HydrophobicContact CE1-CD1 3.93Å; F49-Y119 HydrophobicContact CE1-CD2 4.25Å; F49-Y119 AromaticContact CE1-CG 3.73Å; F49-Y119 HydrophobicContact CE1-CG 3.73Å; F49-Y119 AromaticContact CE2-CD2 3.71Å; F49-Y119 HydrophobicContact CE2-CD2 3.71Å; F49-Y119 AromaticContact CE2-CG 3.84Å; F49-Y119 HydrophobicContact CE2-CG 3.84Å; F49-Y119 HydrophobicContact CG-CD1 4.18Å; F49-Y119 AromaticContact CG-CD2 3.55Å; F49-Y119 HydrophobicContact CG-CD2 3.55Å; F49-Y119 HydrophobicContact CG-CE1 4.23Å; F49-Y119 AromaticContact CG-CE2 3.61Å; F49-Y119 HydrophobicContact CG-CE2 3.61Å; F49-Y119 AromaticContact CG-CG 3.85Å; F49-Y119 HydrophobicContact CG-CG 3.85Å; F49-Y119 AromaticContact CG-CZ 3.96Å; F49-Y119 HydrophobicContact CZ-CD1 4.41Å; F49-Y119 HydrophobicContact CZ-CD2 4.12Å; F49-Y119 AromaticContact CZ-CG 3.76Å; F49-Y119 HydrophobicContact CZ-CG 3.76Å; I67-Y119 HydrophobicContact CD1-CE1 3.96Å; C115-Y119 WeakPolarHBondContact O-CB 3.29Å; C115-Y119 PolarHBondContact O-N 2.93Å; V116-Y119 WeakPolarHBondContact O-CB 3.42Å; V116-Y119 PolarHBondContact O-N 3.2Å; L117-Y119 VanDerWaalsContact C-N 3.33Å; L117-Y119 PolarHBondContact O-N 3.12Å; Y119-Q121 VanDerWaalsContact C-N 3.31Å; Y119-Q121 PolarHBondContact O-N 2.89Å; Y119-D122 PolarHBondContact O-N 3.37Å; Y119-H123 HydrophobicContact CD2-CB 4.41Å; Y119-H123 AromaticContact CD2-CD2 3.29Å; Y119-H123 WeakPolarHBondContact CD2-CD2 3.29Å; Y119-H123 AromaticContact CD2-CG 3.99Å; Y119-H123 AromaticContact CD2-NE2 3.95Å; Y119-H123 HydrophobicContact CE2-CB 4.09Å; Y119-H123 AromaticContact CE2-CD2 3.44Å; Y119-H123 VanDerWaalsContact CE2-CD2 3.44Å; Y119-H123 WeakPolarHBondContact CE2-CD2 3.36Å; Y119-H123 AromaticContact CE2-CG 3.73Å; Y119-H123 WeakPolarHBondContact O-CB 3.42Å; Y119-H123 PolarHBondContact O-N 3.08Å
120I91.6Very high89.8Confident0 Ų069.2 Ų69.20%033%0.331CS..Hα-helixtrans-63.2-40.2179.3-66.9169.7000110.6L63 I66 I67 I70 L93 V116 L117 N118 Y124 L125L63-I120 HydrophobicContact CD1-CD1 4.12Å; I66-I120 HydrophobicContact CG2-CD1 4.31Å; I67-I120 HydrophobicContact CD1-CG1 4.44Å; I67-I120 HydrophobicContact CG1-CG1 4.39Å; I70-I120 HydrophobicContact CD1-CD1 4.38Å; I70-I120 HydrophobicContact CD1-CG2 4.23Å; L93-I120 HydrophobicContact CD1-CD1 4.49Å; V116-I120 HydrophobicContact CG1-CD1 3.73Å; V116-I120 HydrophobicContact CG1-CG1 4.35Å; V116-I120 WeakPolarHBondContact O-CG1 3.3Å; V116-I120 PolarHBondContact O-N 3.29Å; L117-I120 PolarHBondContact O-N 2.93Å; N118-I120 PolarHBondContact O-N 3.02Å; I120-Y124 WeakPolarHBondContact O-CA 3.2Å; I120-Y124 WeakPolarHBondContact O-CB 3.21Å; I120-Y124 PolarHBondContact O-N 3.46Å; I120-L125 HydrophobicContact CG2-CD1 4.25Å; I120-L125 HydrophobicContact CG2-CG 4.18Å; I120-L125 PolarHBondContact O-N 2.76Å
121Q90.8Very high90Very high94 Ų9464.1 Ų64.144%0.43930%0.303SS..Hα-helixtrans-64.2-47.5179-173.8171.8-13.900111.9L117 N118 Y119 R126L117-Q121 WeakPolarHBondContact O-CB 3.33Å; L117-Q121 PolarHBondContact O-N 2.89Å; N118-Q121 PolarHBondContact O-N 3.49Å; Y119-Q121 VanDerWaalsContact C-N 3.31Å; Y119-Q121 PolarHBondContact O-N 2.89Å; Q121-R126 PolarHBondContact O-N 2.7Å
122D91Very high90.1Very high89 Ų8959 Ų5948%0.47628%0.275SS..Hα-helixtrans-75.8-40.1-175.4-75-25.9000113.1N118 Y119 R126N118-D122 WeakPolarHBondContact O-CB 3.36Å; N118-D122 PolarHBondContact O-N 2.9Å; Y119-D122 PolarHBondContact O-N 3.37Å; D122-R126 WeakPolarHBondContact O-CB 3.11Å
123H88.1Confident90.1Very high86 Ų8665.1 Ų65.140%0.39830%0.297SS..Hα-helixtrans-95.9-28.5-173.3-73.1-82.6000114.5Y119 H127Y119-H123 HydrophobicContact CD2-CB 4.41Å; Y119-H123 AromaticContact CD2-CD2 3.29Å; Y119-H123 WeakPolarHBondContact CD2-CD2 3.29Å; Y119-H123 AromaticContact CD2-CG 3.99Å; Y119-H123 AromaticContact CD2-NE2 3.95Å; Y119-H123 HydrophobicContact CE2-CB 4.09Å; Y119-H123 AromaticContact CE2-CD2 3.44Å; Y119-H123 VanDerWaalsContact CE2-CD2 3.44Å; Y119-H123 WeakPolarHBondContact CE2-CD2 3.36Å; Y119-H123 AromaticContact CE2-CG 3.73Å; Y119-H123 WeakPolarHBondContact O-CB 3.42Å; Y119-H123 PolarHBondContact O-N 3.08Å; H123-H127 PolarHBondContact O-CD2 3.38Å
124Y89.8Confident90Very high3 Ų365.8 Ų65.81%0.01230%0.299CS..THydrogen-bonded Turntrans-110-60.9-177.6-177.4-90.1000112.1L42 I70 H71 N74 I120 R126 H127 D128 Y131L42-Y124 HydrophobicContact CD1-CD2 3.95Å; L42-Y124 HydrophobicContact CD2-CD2 3.8Å; L42-Y124 HydrophobicContact CD2-CE2 3.76Å; I70-Y124 HydrophobicContact CB-CE1 4.48Å; I70-Y124 HydrophobicContact CG2-CD1 3.95Å; I70-Y124 HydrophobicContact CG2-CE1 3.46Å; I70-Y124 VanDerWaalsContact CG2-CE1 3.46Å; H71-Y124 HydrophobicContact CB-CE2 3.68Å; H71-Y124 WeakPolarHBondContact CB-OH 3.44Å; H71-Y124 AromaticContact ND1-CE2 3.83Å; H71-Y124 PolarHBondContact ND1-OH 3.3Å; N74-Y124 WeakPolarHBondContact CB-OH 3.31Å; N74-Y124 PolarHBondContact ND2-OH 3.16Å; I120-Y124 WeakPolarHBondContact O-CA 3.2Å; I120-Y124 WeakPolarHBondContact O-CB 3.21Å; I120-Y124 PolarHBondContact O-N 3.46Å; Y124-R126 VanDerWaalsContact C-N 3.33Å; Y124-R126 PolarHBondContact O-N 3.3Å; Y124-H127 CarbonylContact O-C 3.52Å; Y124-H127 WeakPolarHBondContact O-CA 3.28Å; Y124-H127 PolarHBondContact O-N 3.24Å; Y124-D128 PolarHBondContact O-N 3.46Å; Y124-Y131 HydrophobicContact CD2-CD2 4.19Å; Y124-Y131 AromaticContact CD2-CE2 3.95Å; Y124-Y131 HydrophobicContact CD2-CE2 3.95Å; Y124-Y131 AromaticContact CE2-CD2 3.97Å; Y124-Y131 HydrophobicContact CE2-CD2 3.97Å; Y124-Y131 HydrophobicContact CE2-CE2 4.14Å; Y124-Y131 HydrophobicContact CE2-CG 4.3Å
125L87.9Confident89.9Confident23 Ų2362.9 Ų62.912%0.1228%0.283CS..G310 helixtrans-67-32.8-171.3-65.7173.6000112.9C85 F86 I120 H127 D128C85-L125 HydrophobicContact CB-CD2 4.17Å; F86-L125 HydrophobicContact CB-CD1 4.22Å; F86-L125 HydrophobicContact CD2-CD1 3.6Å; F86-L125 HydrophobicContact CG-CD1 4.4Å; I120-L125 HydrophobicContact CG2-CD1 4.25Å; I120-L125 HydrophobicContact CG2-CG 4.18Å; I120-L125 PolarHBondContact O-N 2.76Å; L125-H127 PolarHBondContact O-N 3.42Å; L125-D128 VanDerWaalsContact O-CB 3.3Å; L125-D128 WeakPolarHBondContact O-CB 3.33Å; L125-D128 VanDerWaalsContact O-CG 3.29Å; L125-D128 PolarHBondContact O-N 3.11Å
126R89.3Confident89.6Confident189 Ų18962 Ų6271%0.71328%0.277SS*.G310 helixtrans-60.5-24.8172.8-170.7174.1-176172.60.9113.3Q121 D122 Y124Q121-R126 PolarHBondContact O-N 2.7Å; D122-R126 WeakPolarHBondContact O-CB 3.11Å; Y124-R126 VanDerWaalsContact C-N 3.33Å; Y124-R126 PolarHBondContact O-N 3.3Å
127H88.8Confident89Confident89 Ų8966.6 Ų66.641%0.41231%0.306SS..G310 helixtrans-110.617.8-178.4-59.9-53.8000112.5H123 Y124 L125 R129 L130 Y131H123-H127 PolarHBondContact O-CD2 3.38Å; Y124-H127 CarbonylContact O-C 3.52Å; Y124-H127 WeakPolarHBondContact O-CA 3.28Å; Y124-H127 PolarHBondContact O-N 3.24Å; L125-H127 PolarHBondContact O-N 3.42Å; H127-R129 VanDerWaalsContact C-N 3.25Å; H127-R129 PolarHBondContact O-N 3.08Å; H127-L130 WeakPolarHBondContact O-CB 3.06Å; H127-L130 PolarHBondContact O-N 3.48Å; H127-Y131 HydrophobicContact CB-CD2 4.34Å; H127-Y131 HydrophobicContact CB-CE2 4.08Å; H127-Y131 VanDerWaalsContact O-CD2 3.28Å; H127-Y131 WeakPolarHBondContact O-CD2 3.35Å; H127-Y131 PolarHBondContact O-N 3.23Å
128D86.4Confident88.3Confident15 Ų1572 Ų728%0.0833%0.331CS..Hα-helixtrans-50.7-41.4179.366.4-23.8000113.4S82 Y124 L125 L130 Y131 K132S82-D128 VanDerWaalsContact CB-OD2 3.31Å; S82-D128 WeakPolarHBondContact CB-OD2 3.18Å; Y124-D128 PolarHBondContact O-N 3.46Å; L125-D128 VanDerWaalsContact O-CB 3.3Å; L125-D128 WeakPolarHBondContact O-CB 3.33Å; L125-D128 VanDerWaalsContact O-CG 3.29Å; L125-D128 PolarHBondContact O-N 3.11Å; D128-L130 VanDerWaalsContact C-N 3.34Å; D128-L130 PolarHBondContact O-N 2.81Å; D128-Y131 PolarHBondContact O-N 3.01Å; D128-K132 WeakPolarHBondContact O-CB 3.44Å; D128-K132 WeakPolarHBondContact O-CG 3.35Å; D128-K132 PolarHBondContact O-N 3.36Å
129R88.2Confident87.5Confident197 Ų19774.6 Ų74.674%0.74335%0.349SS*.Hα-helixtrans-62.5-37.3177.9-67.2-179.9-176.1-173.7-0.1112.9H127 Y133H127-R129 VanDerWaalsContact C-N 3.25Å; H127-R129 PolarHBondContact O-N 3.08Å; R129-Y133 WeakPolarHBondContact O-CB 3.31Å; R129-Y133 PolarHBondContact O-N 3.5Å
130L89.9Confident86.8Confident92 Ų9281.9 Ų81.948%0.48238%0.381SS..Hα-helixtrans-67.4-49.1178.617766.4000109.9H127 D128 K132 Y133 I134H127-L130 WeakPolarHBondContact O-CB 3.06Å; H127-L130 PolarHBondContact O-N 3.48Å; D128-L130 VanDerWaalsContact C-N 3.34Å; D128-L130 PolarHBondContact O-N 2.81Å; L130-K132 VanDerWaalsContact C-N 3.34Å; L130-K132 PolarHBondContact O-N 2.67Å; L130-Y133 PolarHBondContact O-N 3.35Å; L130-I134 HydrophobicContact CD1-CD1 3.86Å; L130-I134 HydrophobicContact CD1-CG1 4.47Å; L130-I134 HydrophobicContact CG-CD1 3.94Å; L130-I134 WeakPolarHBondContact O-CG1 3.3Å; L130-I134 PolarHBondContact O-N 2.97Å; L130-I134 VanDerWaalsContact O-N 3.11Å
131Y89.4Confident86.4Confident25 Ų2588.4 Ų88.410%0.09842%0.415CS..Hα-helixtrans-61.8-43.3177.2-69.8-69.5000111.2V38 L42 H71 Y124 H127 D128 Y133 I134 F135V38-Y131 HydrophobicContact CG1-CD1 4.45Å; V38-Y131 HydrophobicContact CG1-CE1 3.95Å; L42-Y131 HydrophobicContact CD2-CE1 4.16Å; H71-Y131 AromaticContact CE1-CD1 3.93Å; H71-Y131 AromaticContact ND1-CD1 3.93Å; Y124-Y131 HydrophobicContact CD2-CD2 4.19Å; Y124-Y131 AromaticContact CD2-CE2 3.95Å; Y124-Y131 HydrophobicContact CD2-CE2 3.95Å; Y124-Y131 AromaticContact CE2-CD2 3.97Å; Y124-Y131 HydrophobicContact CE2-CD2 3.97Å; Y124-Y131 HydrophobicContact CE2-CE2 4.14Å; Y124-Y131 HydrophobicContact CE2-CG 4.3Å; H127-Y131 HydrophobicContact CB-CD2 4.34Å; H127-Y131 HydrophobicContact CB-CE2 4.08Å; H127-Y131 VanDerWaalsContact O-CD2 3.28Å; H127-Y131 WeakPolarHBondContact O-CD2 3.35Å; H127-Y131 PolarHBondContact O-N 3.23Å; D128-Y131 PolarHBondContact O-N 3.01Å; Y131-Y133 VanDerWaalsContact C-N 3.34Å; Y131-Y133 PolarHBondContact O-N 3.21Å; Y131-I134 PolarHBondContact O-N 3.33Å; Y131-F135 HydrophobicContact CD1-CD2 4.25Å; Y131-F135 AromaticContact CD1-CE2 3.91Å; Y131-F135 HydrophobicContact CD1-CE2 3.91Å; Y131-F135 WeakPolarHBondContact O-CB 3.47Å; Y131-F135 VanDerWaalsContact O-CD2 3.29Å; Y131-F135 WeakPolarHBondContact O-CD2 3.44Å; Y131-F135 PolarHBondContact O-N 3.05Å
132K89.8Confident86Confident19 Ų1990.3 Ų90.38%0.08343%0.429CS..Hα-helixtrans-56.4-48.2173.2-78.9-177.4177.3-65.80111.9N74 T77 L79 N81 D128 L130 I134 F135 T136N74-K132 PolarHBondContact O-NZ 3Å; N74-K132 WeakPolarHBondContact OD1-CE 3.49Å; N74-K132 PolarHBondContact OD1-NZ 3.39Å; T77-K132 PolarHBondContact O-NZ 2.93Å; L79-K132 WeakPolarHBondContact O-CE 3.34Å; L79-K132 PolarHBondContact O-NZ 2.71Å; N81-K132 WeakPolarHBondContact OD1-CE 3.42Å; N81-K132 PolarHBondContact OD1-NZ 3.03Å; D128-K132 WeakPolarHBondContact O-CB 3.44Å; D128-K132 WeakPolarHBondContact O-CG 3.35Å; D128-K132 PolarHBondContact O-N 3.36Å; L130-K132 VanDerWaalsContact C-N 3.34Å; L130-K132 PolarHBondContact O-N 2.67Å; K132-I134 VanDerWaalsContact C-N 3.29Å; K132-I134 PolarHBondContact O-N 2.72Å; K132-F135 PolarHBondContact O-N 3.42Å; K132-T136 WeakPolarHBondContact CA-OG1 3.49Å; K132-T136 WeakPolarHBondContact O-CB 3.35Å; K132-T136 PolarHBondContact O-N 3.21Å; K132-T136 PolarHBondContact O-OG1 3.48Å
133Y88.4Confident85.7Confident180 Ų18092 Ų9271%0.70644%0.437SS*.Hα-helixtrans-59.4-39.7-178.8-179.2-101.1000113.1R129 L130 Y131R129-Y133 WeakPolarHBondContact O-CB 3.31Å; R129-Y133 PolarHBondContact O-N 3.5Å; L130-Y133 PolarHBondContact O-N 3.35Å; Y131-Y133 VanDerWaalsContact C-N 3.34Å; Y131-Y133 PolarHBondContact O-N 3.21Å
134I88.3Confident85.5Confident37 Ų3796.8 Ų96.819%0.1946%0.457CS..Hα-helixtrans-78.3-42.7-176.4-63.2167.7000111.5K35 V38 L130 Y131 K132K35-I134 HydrophobicContact CB-CG2 4.29Å; K35-I134 HydrophobicContact CD-CG2 4.28Å; K35-I134 WeakPolarHBondContact CD-O 3.2Å; K35-I134 WeakPolarHBondContact CE-O 3.34Å; K35-I134 HydrophobicContact CG-CG2 3.84Å; K35-I134 PolarHBondContact NZ-O 2.93Å; V38-I134 HydrophobicContact CG1-CD1 4.14Å; V38-I134 HydrophobicContact CG2-CD1 4.43Å; L130-I134 HydrophobicContact CD1-CD1 3.86Å; L130-I134 HydrophobicContact CD1-CG1 4.47Å; L130-I134 HydrophobicContact CG-CD1 3.94Å; L130-I134 WeakPolarHBondContact O-CG1 3.3Å; L130-I134 PolarHBondContact O-N 2.97Å; L130-I134 VanDerWaalsContact O-N 3.11Å; Y131-I134 PolarHBondContact O-N 3.33Å; K132-I134 VanDerWaalsContact C-N 3.29Å; K132-I134 PolarHBondContact O-N 2.72Å
135F88.3Confident85.2Confident16 Ų16104.3 Ų104.37%0.0750%0.496CS..Hα-helixtrans-103.7-19.2-165.5-67.3-86.6000114.4L31 K35 V38 L39 H71 I75 Y131 K132L31-F135 HydrophobicContact CD1-CE1 4.12Å; K35-F135 HydrophobicContact CB-CD1 4.37Å; K35-F135 HydrophobicContact CB-CE1 3.8Å; K35-F135 HydrophobicContact CB-CZ 4.25Å; K35-F135 HydrophobicContact CD-CD1 4.49Å; K35-F135 VanDerWaalsContact O-CZ 3.25Å; K35-F135 WeakPolarHBondContact O-CZ 3.46Å; V38-F135 HydrophobicContact CB-CE2 4.43Å; V38-F135 HydrophobicContact CB-CZ 4.24Å; V38-F135 HydrophobicContact CG1-CE2 4.04Å; V38-F135 HydrophobicContact CG1-CZ 4.3Å; L39-F135 HydrophobicContact CB-CE1 4.1Å; L39-F135 HydrophobicContact CB-CZ 3.89Å; H71-F135 AromaticContact CE1-CD2 3.51Å; H71-F135 AromaticContact CE1-CE2 3.82Å; H71-F135 AromaticContact CE1-CG 3.74Å; H71-F135 AromaticContact NE2-CD1 3.9Å; H71-F135 AromaticContact NE2-CG 3.79Å; I75-F135 HydrophobicContact CB-CB 4.1Å; I75-F135 HydrophobicContact CD1-CB 4.28Å; I75-F135 HydrophobicContact CG2-CB 3.48Å; I75-F135 VanDerWaalsContact CG2-CB 3.48Å; I75-F135 HydrophobicContact CG2-CG 4.39Å; Y131-F135 HydrophobicContact CD1-CD2 4.25Å; Y131-F135 AromaticContact CD1-CE2 3.91Å; Y131-F135 HydrophobicContact CD1-CE2 3.91Å; Y131-F135 WeakPolarHBondContact O-CB 3.47Å; Y131-F135 VanDerWaalsContact O-CD2 3.29Å; Y131-F135 WeakPolarHBondContact O-CD2 3.44Å; Y131-F135 PolarHBondContact O-N 3.05Å; K132-F135 PolarHBondContact O-N 3.42Å
136T86.3Confident84.7Confident17 Ų17109.5 Ų109.510%0.10453%0.529CS..SBendtrans-69.7128.5-179.7-50.50000110.7P78 K132 Q138P78-T136 HydrophobicContact CB-CG2 3.76Å; K132-T136 WeakPolarHBondContact CA-OG1 3.49Å; K132-T136 WeakPolarHBondContact O-CB 3.35Å; K132-T136 PolarHBondContact O-N 3.21Å; K132-T136 PolarHBondContact O-OG1 3.48Å; T136-Q138 PolarHBondContact O-N 3.23Å
137P79.2Confident84.2Confident95 Ų95110.4 Ų110.462%0.61753%0.534SS*.PPolyproline II helixtrans-63.7124.9174.423.5-30.1000110.3V139P137-V139 PolarHBondContact O-N 3.3Å
138Q76.8Confident83.3Confident143 Ų143111.4 Ų111.467%0.66855%0.551SS**PPolyproline II helixtrans-79.8116.4176-65.6-177.78.600109.6T136 K140T136-Q138 PolarHBondContact O-N 3.23Å; Q138-K140 PolarHBondContact O-N 3.21Å
139V76.4Confident82.3Confident144 Ų144112.7 Ų112.787%0.87357%0.568SS**  trans-84.2112170.1-173.90000108P137P137-V139 PolarHBondContact O-N 3.3Å
140K78Confident81Confident167 Ų167113.2 Ų113.273%0.72658%0.575SS**  trans-93.1126.4173.1-66.2-177.5-179.2178.30108.9Q138Q138-K140 PolarHBondContact O-N 3.21Å
141L82.1Confident79.1Confident136 Ų136112.3 Ų112.371%0.71259%0.588SS**  trans-99.5105.3174.2-173.970.9000108.7L143L141-L143 HydrophobicContact CD1-CD2 4.37Å; L141-L143 HydrophobicContact CD2-CD1 3.97Å; L141-L143 HydrophobicContact CD2-CD2 3.67Å; L141-L143 HydrophobicContact CD2-CG 3.78Å; L141-L143 HydrophobicContact CG-CD2 3.81Å; L141-L143 HydrophobicContact CG-CG 3.85Å; L141-L143 PolarHBondContact O-N 3.36Å
142D83.2Confident77.2Confident134 Ų134114.6 Ų114.672%0.71762%0.62SS**  trans-84.1101172-76.3-19.5000109.1F144D142-F144 HydrophobicContact CB-CE2 4.17Å
143L85.1Confident75Confident124 Ų124123.3 Ų123.365%0.64966%0.661SS**  trans-91117.2178.7-69.3175.6000110.6L141L141-L143 HydrophobicContact CD1-CD2 4.37Å; L141-L143 HydrophobicContact CD2-CD1 3.97Å; L141-L143 HydrophobicContact CD2-CD2 3.67Å; L141-L143 HydrophobicContact CD2-CG 3.78Å; L141-L143 HydrophobicContact CG-CD2 3.81Å; L141-L143 HydrophobicContact CG-CG 3.85Å; L141-L143 PolarHBondContact O-N 3.36Å
144F83.6Confident73.1Confident188 Ų188118 Ų11883%0.82566%0.661SS**  trans-101.5103.1166.6-64.2-83.6000109.2D142D142-F144 HydrophobicContact CB-CE2 4.17Å
145L83.9Confident71.3Confident160 Ų160125 Ų12584%0.83870%0.697SS**  trans-92.6108.2176.1-80.7139.9000109.4
146T76.7Confident68.9Low132 Ų132128.8 Ų128.881%0.8173%0.732SS**  trans-93.3102.2167.4-52.20000107.8S148T146-S148 PolarHBondContact O-N 2.95Å; T146-S148 VanDerWaalsContact O-N 3.09Å
147Y79.8Confident67Low209 Ų209132.2 Ų132.282%0.8276%0.762SS**  trans-73.899173.1-175.9-107000108.5G149Y147-G149 PolarHBondContact O-N 3.47Å
148S69.9Low64.8Low109 Ų109135.4 Ų135.476%0.76277%0.774SS**  trans-71.480.8163.9630000107.4T146 K150T146-S148 PolarHBondContact O-N 2.95Å; T146-S148 VanDerWaalsContact O-N 3.09Å; S148-K150 PolarHBondContact O-N 2.87Å
149G64.9Low63.4Low42 Ų42137.3 Ų137.343%0.43378%0.783SS.*  trans-53.1109.9169.900000107.9Y147 G151Y147-G149 PolarHBondContact O-N 3.47Å; G149-G151 PolarHBondContact O-N 3.36Å
150K60.1Low61.8Low208 Ų208136.4 Ų136.490%0.90478%0.783SS**  trans-59.1114168.2-143.6177.2-177-173.50104.8S148 G152S148-K150 PolarHBondContact O-N 2.87Å; K150-G152 PolarHBondContact O-N 3.27Å; K150-G152 VanDerWaalsContact O-N 3.16Å
151G51Low60Low73 Ų73132.9 Ų132.975%0.75379%0.785SS**  trans-44.8120.1-170.100000112G149 E153G149-G151 PolarHBondContact O-N 3.36Å; G151-E153 PolarHBondContact O-N 3.34Å
152G49.6Very low58.2Low74 Ų74135.6 Ų135.676%0.76379%0.794SS**  trans-76105.9159.200000107.4K150K150-G152 PolarHBondContact O-N 3.27Å; K150-G152 VanDerWaalsContact O-N 3.16Å
153E43Very low56.4Low201 Ų201137.7 Ų137.794%0.93980%0.8SS**  trans154.6115.1148.7-85.4172.3-15600108.1G151G151-E153 PolarHBondContact O-N 3.34Å
154G48.7Very low54.4Low68 Ų68140.9 Ų140.970%0.70181%0.811SS**  cis-169.1174.23.900000109.6A156G154-A156 PolarHBondContact O-N 3.31Å
155L49.8Very low52.4Low184 Ų184141.9 Ų141.996%0.96382%0.815SS**  trans2291.6163.1-67.5166.5000116.1
156A37.9Very low50.4Low96 Ų96141.4 Ų141.479%0.79381%0.809SS**  trans-177.9118.5138.300000108.7G154G154-A156 PolarHBondContact O-N 3.31Å
157A47.7Very low48.8Very low89 Ų89142.7 Ų142.774%0.73681%0.805SS**  trans-62.4138.416000000108.8
158D33.3Very low46.8Very low163 Ų163140.2 Ų140.287%0.87280%0.801SS**  trans-156.3122.3130.5-107.1-21.4000110.3S160D158-S160 PolarHBondContact O-N 2.92Å
159E45.9Very low45.3Very low182 Ų182140.2 Ų140.285%0.8580%0.8SS**  trans-62.5121.6168-61.6177.6154.200108.3
160S43.2Very low44.2Very low125 Ų125143.3 Ų143.387%0.87480%0.803SS**  trans166.785.4152-78.20000110.1D158D158-S160 PolarHBondContact O-N 2.92Å
161A40.2Very low43.4Very low94 Ų94139.4 Ų139.478%0.77779%0.791SS**  trans176.352.3149.400000110.1Q163A161-Q163 VanDerWaalsContact C-N 3.27Å; A161-Q163 PolarHBondContact O-N 3.43Å
162E44Very low43Very low193 Ų193142.8 Ų142.890%0.90279%0.792SS**  trans-85.776.9157.1-73.2-174.9161.300107.9
163Q45.2Very low42.7Very low177 Ų177145.8 Ų145.883%0.82779%0.79SS**SBendtrans-166.8140.5163.4-101.7146.425.700106.3A161A161-Q163 VanDerWaalsContact C-N 3.27Å; A161-Q163 PolarHBondContact O-N 3.43Å
164E43.1Very low42.6Very low191 Ų191145.8 Ų145.889%0.89378%0.781SS**SBendtrans94.10.4178.3-50.4-170166.800119.1
165K42.5Very low42.2Very low209 Ų209151.8 Ų151.891%0.90979%0.788SS**SBendtrans-111.825.8172.9-109.3-176-176.4-177.30115.8
166Q41.8Very low42.1Very low150 Ų150150.1 Ų150.170%0.70178%0.779SS**SBendtrans-109.3-4177.1-153.2156.27.500114.1Q170Q166-Q170 VanDerWaalsContact O-CD 3.24Å; Q166-Q170 WeakPolarHBondContact O-CG 3.35Å; Q166-Q170 PolarHBondContact O-NE2 2.93Å
167E43.5Very low42.5Very low159 Ų159152.8 Ų152.874%0.74378%0.775SS**SBendtrans-96.6-25.1-177.8-67.2-165.6155.500114.5
168H38.3Very low42Very low158 Ų158154.9 Ų154.973%0.73177%0.774SS**SBendtrans-84.9-24.8-173.9-159.966000114.5Q170H168-Q170 VanDerWaalsContact C-N 3.34Å
169C37.2Very low42.3Very low108 Ų108155.5 Ų155.573%0.7377%0.771SS**SBendtrans-85.8-3.1172.3-730000113.7
170Q42Very low42.5Very low107 Ų107153 Ų15350%0.577%0.768SS.*SBendtrans-91-13.7177.3-71.1-176.14.900113.8Q166 H168Q166-Q170 VanDerWaalsContact O-CD 3.24Å; Q166-Q170 WeakPolarHBondContact O-CG 3.35Å; Q166-Q170 PolarHBondContact O-NE2 2.93Å; H168-Q170 VanDerWaalsContact C-N 3.34Å
171L44.4Very low42.7Very low126 Ų126151.7 Ų151.766%0.6676%0.756SS**SBendtrans-84.5-18.6-176.6-81.6161.1000114.9
172L42.4Very low43.4Very low145 Ų145150.1 Ų150.176%0.75974%0.739SS**SBendtrans-93.4-23.7178.4-89.6153.2000113.6R174L172-R174 VanDerWaalsContact C-N 3.35Å
173N41.7Very low44.1Very low136 Ų136146.4 Ų146.473%0.72773%0.729SS**G310 helixtrans-82.9-11.8172.8-79.1-1.3000113.2
174R41.3Very low45.2Very low202 Ų202144 Ų14476%0.76272%0.722SS**G310 helixtrans-87.5-0.2-178.2-125.7176.6-172.9168.52.6114.9L172L172-R174 VanDerWaalsContact C-N 3.35Å
175K40.3Very low46.5Very low193 Ų193140 Ų14084%0.83971%0.706SS**G310 helixtrans-106.211.3-176-129.1172.8-175.2-179.40114.7
176I47.9Very low48.4Very low150 Ų150136 Ų13677%0.76969%0.688SS**SBendtrans-110.4-3.4177.3-61.9178.1000112.6
177E46Very low50.5Low152 Ų152131.2 Ų131.271%0.7168%0.675SS**SBendtrans-119.520-177.2-75.1-163.2149.400116.8
178D37.8Very low52.5Low133 Ų133129.1 Ų129.171%0.71167%0.668SS**  trans-130.574.1170.5-85-40.2000112
179E40.2Very low54.7Low175 Ų175126 Ų12682%0.81866%0.66SS**SBendtrans-105.8119.3130.2-81.7-145.3153.300108.1T181E179-T181 VanDerWaalsContact C-N 3.27Å; E179-T181 PolarHBondContact O-N 3.19Å
180T48.6Very low57.2Low129 Ų129127.9 Ų127.979%0.79166%0.658SS**THydrogen-bonded Turntrans-74.149.4-15645.30000115.7
181T48.8Very low59.5Low99 Ų99129 Ų12961%0.60766%0.663SS**THydrogen-bonded Turntrans-136.9-5.7171.956.20000114.7E179 L185E179-T181 VanDerWaalsContact C-N 3.27Å; E179-T181 PolarHBondContact O-N 3.19Å; T181-L185 WeakPolarHBondContact O-CG 2.89Å
182S54.2Low61.7Low60 Ų60127.9 Ų127.942%0.4266%0.655SS.*Hα-helixtrans-79.9-31.9-171.7-168.60000114.7K186S182-K186 PolarHBondContact O-N 3.23Å
183V58.2Low64.1Low115 Ų115125.2 Ų125.270%0.69764%0.644SS**Hα-helixtrans-70.6-40.1-175.1-176.70000111.4A187V183-A187 PolarHBondContact O-N 3.39Å
184D69.9Low66.5Low127 Ų127125.4 Ų125.468%0.67964%0.638SS**Hα-helixtrans-68.9-37.5177.9-81.4-20.3000112.5A187 L188D184-A187 PolarHBondContact O-N 3.29Å; D184-L188 WeakPolarHBondContact O-CB 3.39Å; D184-L188 PolarHBondContact O-N 2.98Å
185L70.2Confident69Low108 Ų108121.3 Ų121.357%0.56563%0.628SS**Hα-helixtrans-69.1-40.2179.8-71.1172.5000112.3T181 L188 V189T181-L185 WeakPolarHBondContact O-CG 2.89Å; L185-L188 PolarHBondContact O-N 2.72Å; L185-V189 WeakPolarHBondContact O-CB 3.27Å; L185-V189 VanDerWaalsContact O-CG2 3.24Å; L185-V189 WeakPolarHBondContact O-CG2 3.47Å; L185-V189 PolarHBondContact O-N 3.44Å
186K81.6Confident71.4Confident123 Ų123117 Ų11754%0.53561%0.611SS.*Hα-helixtrans-64.1-43175.7-74.5-177.6-180177.30111.3S182 V189 E190S182-K186 PolarHBondContact O-N 3.23Å; K186-V189 PolarHBondContact O-N 3.34Å; K186-E190 PolarHBondContact O-N 3.39Å
187A86Confident73.3Confident50 Ų50116.8 Ų116.841%0.41361%0.608SS.*Hα-helixtrans-63.8-41.2176.500000112.4V183 D184 E190 Q191V183-A187 PolarHBondContact O-N 3.39Å; D184-A187 PolarHBondContact O-N 3.29Å; A187-E190 PolarHBondContact O-N 3.29Å; A187-Q191 WeakPolarHBondContact O-CB 3.47Å; A187-Q191 PolarHBondContact O-N 2.83Å
188L84.6Confident75.5Confident116 Ų116114.2 Ų114.261%0.60760%0.596SS**Hα-helixtrans-63.2-43.5175.5-119.377.7000112.1D184 L185 Q191 E192D184-L188 WeakPolarHBondContact O-CB 3.39Å; D184-L188 PolarHBondContact O-N 2.98Å; L185-L188 PolarHBondContact O-N 2.72Å; L188-Q191 PolarHBondContact O-N 2.88Å; L188-E192 WeakPolarHBondContact O-CB 3.3Å; L188-E192 PolarHBondContact O-N 2.89Å
189V85.5Confident78.1Confident91 Ų91113 Ų11355%0.55259%0.586SS**Hα-helixtrans-66.4-43.2179.4171.50000111L185 K186 Q191 E192 V193L185-V189 WeakPolarHBondContact O-CB 3.27Å; L185-V189 VanDerWaalsContact O-CG2 3.24Å; L185-V189 WeakPolarHBondContact O-CG2 3.47Å; L185-V189 PolarHBondContact O-N 3.44Å; K186-V189 PolarHBondContact O-N 3.34Å; V189-Q191 VanDerWaalsContact C-N 3.34Å; V189-Q191 PolarHBondContact O-N 3.47Å; V189-E192 PolarHBondContact O-N 3.38Å; V189-V193 HydrophobicContact CG1-CG2 4.31Å; V189-V193 WeakPolarHBondContact O-CB 3.4Å; V189-V193 WeakPolarHBondContact O-CG2 3.44Å; V189-V193 PolarHBondContact O-N 3.09Å
190E89.8Confident80.5Confident149 Ų149108.2 Ų108.270%0.69657%0.569SS**Hα-helixtrans-64.3-39176.6-78.1-176.517400112.4K186 A187 K194K186-E190 PolarHBondContact O-N 3.39Å; A187-E190 PolarHBondContact O-N 3.29Å; E190-K194 WeakPolarHBondContact O-CB 3.3Å; E190-K194 PolarHBondContact O-N 3.33Å
191Q91.1Very high82.6Confident131 Ų131105 Ų10561%0.61255%0.552SS**Hα-helixtrans-65.1-47.1176.3-176.7174.3-15.600111.8A187 L188 V189 K194 E195A187-Q191 WeakPolarHBondContact O-CB 3.47Å; A187-Q191 PolarHBondContact O-N 2.83Å; L188-Q191 PolarHBondContact O-N 2.88Å; V189-Q191 VanDerWaalsContact C-N 3.34Å; V189-Q191 PolarHBondContact O-N 3.47Å; Q191-K194 PolarHBondContact O-N 3.43Å; Q191-E195 PolarHBondContact O-N 2.82Å
192E89.3Confident84.7Confident102 Ų102106.8 Ų106.848%0.47755%0.551SS.*Hα-helixtrans-64.1-42.9179.5-174.265.3-147.700111.4L188 V189 K194 E195 Q196L188-E192 WeakPolarHBondContact O-CB 3.3Å; L188-E192 PolarHBondContact O-N 2.89Å; V189-E192 PolarHBondContact O-N 3.38Å; E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 3.21Å; E192-E195 PolarHBondContact O-N 3.4Å; E192-Q196 HydrophobicContact CG-CG 4.43Å; E192-Q196 WeakPolarHBondContact O-CB 3.22Å; E192-Q196 WeakPolarHBondContact O-CG 3.29Å; E192-Q196 PolarHBondContact O-N 3.42Å; E192-Q196 PolarHBondContact OE1-NE2 3.07Å
193V92.4Very high86.4Confident89 Ų89109.4 Ų109.454%0.53956%0.557SS.*Hα-helixtrans-61.7-39.7176.8169.40000111.1V189 M197V189-V193 HydrophobicContact CG1-CG2 4.31Å; V189-V193 WeakPolarHBondContact O-CB 3.4Å; V189-V193 WeakPolarHBondContact O-CG2 3.44Å; V189-V193 PolarHBondContact O-N 3.09Å; V193-M197 WeakPolarHBondContact O-CB 3.38Å; V193-M197 PolarHBondContact O-N 2.88Å
194K93.5Very high87.8Confident139 Ų139108.9 Ų108.960%0.60455%0.549SS*.Hα-helixtrans-65.4-41.9176.3-171.6179.4177.5-175.30111.8E190 Q191 E192 M197 E198E190-K194 WeakPolarHBondContact O-CB 3.3Å; E190-K194 PolarHBondContact O-N 3.33Å; Q191-K194 PolarHBondContact O-N 3.43Å; E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 3.21Å; K194-M197 PolarHBondContact O-N 3.27Å; K194-E198 PolarHBondContact O-N 3.34Å
195E93.3Very high88.8Confident116 Ų116106.7 Ų106.754%0.54254%0.538SS..Hα-helixtrans-65.7-43.5178.4-169.7164.9-176.900111.9Q191 E192 M197 E198 Q199Q191-E195 PolarHBondContact O-N 2.82Å; E192-E195 PolarHBondContact O-N 3.4Å; E195-M197 VanDerWaalsContact C-N 3.33Å; E195-M197 PolarHBondContact O-N 2.99Å; E195-E198 PolarHBondContact O-N 3.26Å; E195-Q199 WeakPolarHBondContact O-CB 3.44Å; E195-Q199 PolarHBondContact O-N 3.04Å
196Q90.4Very high89.6Confident102 Ų102107.2 Ų107.248%0.47754%0.537SS..Hα-helixtrans-60.3-42.7174-65.5-100.1-20.600111.4E192 Q199 V200E192-Q196 HydrophobicContact CG-CG 4.43Å; E192-Q196 WeakPolarHBondContact O-CB 3.22Å; E192-Q196 WeakPolarHBondContact O-CG 3.29Å; E192-Q196 PolarHBondContact O-N 3.42Å; E192-Q196 PolarHBondContact OE1-NE2 3.07Å; Q196-Q199 PolarHBondContact O-N 3.35Å; Q196-V200 WeakPolarHBondContact O-CG2 3.33Å; Q196-V200 PolarHBondContact O-N 3.39Å
197M87.9Confident89.8Confident146 Ų146109.5 Ų109.572%0.71954%0.543SS*.Hα-helixtrans-65.6-39.8179-169171.9176.400112V193 K194 E195 S201V193-M197 WeakPolarHBondContact O-CB 3.38Å; V193-M197 PolarHBondContact O-N 2.88Å; K194-M197 PolarHBondContact O-N 3.27Å; E195-M197 VanDerWaalsContact C-N 3.33Å; E195-M197 PolarHBondContact O-N 2.99Å; M197-S201 WeakPolarHBondContact O-CB 3.46Å; M197-S201 PolarHBondContact O-N 3.18Å
198E93Very high89.8Confident98 Ų98111.8 Ų111.846%0.45855%0.547SS..Hα-helixtrans-66-38.4173-76.4-174.4-164.800112.3K194 E195 S201 K202K194-E198 PolarHBondContact O-N 3.34Å; E195-E198 PolarHBondContact O-N 3.26Å; E198-S201 PolarHBondContact O-N 2.9Å; E198-K202 WeakPolarHBondContact O-CG 3.37Å; E198-K202 PolarHBondContact O-N 3.34Å
199Q92.1Very high89.9Confident108 Ų108113.6 Ų113.651%0.50555%0.55SS..Hα-helixtrans-66.9-43.8178-163.6178.517.200111.7E195 Q196 K202 Q203E195-Q199 WeakPolarHBondContact O-CB 3.44Å; E195-Q199 PolarHBondContact O-N 3.04Å; Q196-Q199 PolarHBondContact O-N 3.35Å; Q199-K202 PolarHBondContact O-N 3.1Å; Q199-Q203 WeakPolarHBondContact O-CG 3.36Å; Q199-Q203 PolarHBondContact O-N 3.3Å
200V91.1Very high89.8Confident75 Ų75113.7 Ų113.746%0.45554%0.544SS..Hα-helixtrans-63-42.4174.8172.30000110.8Q196 K202 Q203 L204Q196-V200 WeakPolarHBondContact O-CG2 3.33Å; Q196-V200 PolarHBondContact O-N 3.39Å; V200-K202 PolarHBondContact O-N 2.71Å; V200-Q203 PolarHBondContact O-N 2.95Å; V200-L204 HydrophobicContact CG1-CD1 4.1Å; V200-L204 HydrophobicContact CG1-CG 4.4Å; V200-L204 WeakPolarHBondContact O-CG 3.33Å; V200-L204 PolarHBondContact O-N 3.35Å
201S91.9Very high89.1Confident62 Ų62110 Ų11043%0.43453%0.532SS..Hα-helixtrans-58.5-46.2175.5-169.60000111.9M197 E198 Q203 L204 D205M197-S201 WeakPolarHBondContact O-CB 3.46Å; M197-S201 PolarHBondContact O-N 3.18Å; E198-S201 PolarHBondContact O-N 2.9Å; S201-Q203 VanDerWaalsContact C-N 3.34Å; S201-Q203 PolarHBondContact O-N 3.24Å; S201-L204 PolarHBondContact O-N 3.47Å; S201-D205 PolarHBondContact O-N 3.13Å
202K92Very high88.5Confident136 Ų136107.7 Ų107.759%0.59153%0.526SS*.Hα-helixtrans-61.6-40.3177.4-73.2168.4-175163.10112.2E198 Q199 V200 D205 Q206E198-K202 WeakPolarHBondContact O-CG 3.37Å; E198-K202 PolarHBondContact O-N 3.34Å; Q199-K202 PolarHBondContact O-N 3.1Å; V200-K202 PolarHBondContact O-N 2.71Å; K202-D205 PolarHBondContact O-N 3.42Å; K202-Q206 WeakPolarHBondContact O-CB 3.42Å; K202-Q206 PolarHBondContact O-N 2.6Å
203Q90.4Very high87.7Confident114 Ų114109.8 Ų109.853%0.53353%0.534SS..Hα-helixtrans-66.2-41.4176.7-73.3-176.75.800112.2Q199 V200 S201 Q206 R207Q199-Q203 WeakPolarHBondContact O-CG 3.36Å; Q199-Q203 PolarHBondContact O-N 3.3Å; V200-Q203 PolarHBondContact O-N 2.95Å; S201-Q203 VanDerWaalsContact C-N 3.34Å; S201-Q203 PolarHBondContact O-N 3.24Å; Q203-Q206 PolarHBondContact O-N 2.98Å; Q203-R207 WeakPolarHBondContact O-CG 3.44Å; Q203-R207 PolarHBondContact O-N 3.46Å
204L87.8Confident86.8Confident104 Ų104110.7 Ų110.755%0.54553%0.533SS..Hα-helixtrans-63.6-43.5175.3-71.7175.2000111.3V200 S201 Q206 R207 I208V200-L204 HydrophobicContact CG1-CD1 4.1Å; V200-L204 HydrophobicContact CG1-CG 4.4Å; V200-L204 WeakPolarHBondContact O-CG 3.33Å; V200-L204 PolarHBondContact O-N 3.35Å; S201-L204 PolarHBondContact O-N 3.47Å; L204-Q206 VanDerWaalsContact C-N 3.3Å; L204-Q206 PolarHBondContact O-N 3.34Å; L204-R207 PolarHBondContact O-N 2.97Å; L204-I208 VanDerWaalsContact O-CG1 3.28Å; L204-I208 WeakPolarHBondContact O-CG1 3.28Å; L204-I208 PolarHBondContact O-N 2.88Å
205D89.9Confident85.7Confident81 Ų81110.4 Ų110.443%0.43353%0.534SS..Hα-helixtrans-62.4-37.9176.6-74.7-29.2000112.4S201 K202 I208 K209S201-D205 PolarHBondContact O-N 3.13Å; K202-D205 PolarHBondContact O-N 3.42Å; D205-I208 PolarHBondContact O-N 3.46Å; D205-K209 WeakPolarHBondContact O-CG 3.11Å; D205-K209 PolarHBondContact O-N 3.5Å
206Q88.5Confident84.6Confident119 Ų119107.3 Ų107.356%0.55653%0.525SS*.Hα-helixtrans-67.8-42.9176.6-167.4168.2200111.4K202 Q203 L204 I208 K209 E210K202-Q206 WeakPolarHBondContact O-CB 3.42Å; K202-Q206 PolarHBondContact O-N 2.6Å; Q203-Q206 PolarHBondContact O-N 2.98Å; L204-Q206 VanDerWaalsContact C-N 3.3Å; L204-Q206 PolarHBondContact O-N 3.34Å; Q206-I208 VanDerWaalsContact C-N 3.33Å; Q206-I208 PolarHBondContact O-N 2.72Å; Q206-K209 PolarHBondContact O-N 3.32Å; Q206-E210 WeakPolarHBondContact O-CG 3.38Å; Q206-E210 PolarHBondContact O-N 3.13Å
207R85.1Confident83.5Confident171 Ų171104.7 Ų104.765%0.64552%0.518SS*.Hα-helixtrans-61.9-39.3173.1-74.9-72-1661541.9112.2Q203 L204 E210 T211Q203-R207 WeakPolarHBondContact O-CG 3.44Å; Q203-R207 PolarHBondContact O-N 3.46Å; L204-R207 PolarHBondContact O-N 2.97Å; R207-E210 PolarHBondContact O-N 3.31Å; R207-T211 WeakPolarHBondContact O-CB 3.31Å; R207-T211 VanDerWaalsContact O-CG2 3.26Å; R207-T211 WeakPolarHBondContact O-CG2 3.36Å; R207-T211 PolarHBondContact O-N 3.11Å; R207-T211 PolarHBondContact O-OG1 3.44Å
208I86.5Confident82.5Confident98 Ų98103.9 Ų103.950%0.50351%0.51SS..Hα-helixtrans-64.6-43.8175.1-69.1167.3000110L204 D205 Q206 T211 V212L204-I208 VanDerWaalsContact O-CG1 3.28Å; L204-I208 WeakPolarHBondContact O-CG1 3.28Å; L204-I208 PolarHBondContact O-N 2.88Å; D205-I208 PolarHBondContact O-N 3.46Å; Q206-I208 VanDerWaalsContact C-N 3.33Å; Q206-I208 PolarHBondContact O-N 2.72Å; I208-T211 WeakPolarHBondContact CA-OG1 3.22Å; I208-T211 PolarHBondContact O-N 3.21Å; I208-T211 PolarHBondContact O-OG1 3.1Å; I208-V212 HydrophobicContact CG2-CG2 4.36Å; I208-V212 WeakPolarHBondContact O-CB 3.2Å; I208-V212 WeakPolarHBondContact O-CG2 3.45Å; I208-V212 PolarHBondContact O-N 3.39Å
209K86Confident80.9Confident154 Ų154101.9 Ų101.967%0.6751%0.51SS*.Hα-helixtrans-63.7-42.8176.8-75.4172.5-177.1172.10112.9D205 Q206 V212 F213D205-K209 WeakPolarHBondContact O-CG 3.11Å; D205-K209 PolarHBondContact O-N 3.5Å; Q206-K209 PolarHBondContact O-N 3.32Å; K209-V212 PolarHBondContact O-N 3.5Å; K209-F213 WeakPolarHBondContact O-CB 3.29Å; K209-F213 PolarHBondContact O-N 3.37Å
210E83.1Confident79.4Confident94 Ų94103.6 Ų103.644%0.43952%0.518SS..Hα-helixtrans-64.1-44.5176.7-74.1170.2-173.500111.6Q206 R207 V212 F213 E214Q206-E210 WeakPolarHBondContact O-CG 3.38Å; Q206-E210 PolarHBondContact O-N 3.13Å; R207-E210 PolarHBondContact O-N 3.31Å; E210-V212 PolarHBondContact O-N 2.95Å; E210-F213 PolarHBondContact O-N 2.89Å; E210-E214 WeakPolarHBondContact O-CB 3.45Å; E210-E214 PolarHBondContact O-N 3.27Å
211T76.6Confident77.9Confident70 Ų70103.4 Ų103.443%0.42952%0.52SS..Hα-helixtrans-66.1-38.3177.4520000112.1R207 I208 E214 Q215R207-T211 WeakPolarHBondContact O-CB 3.31Å; R207-T211 VanDerWaalsContact O-CG2 3.26Å; R207-T211 WeakPolarHBondContact O-CG2 3.36Å; R207-T211 PolarHBondContact O-N 3.11Å; R207-T211 PolarHBondContact O-OG1 3.44Å; I208-T211 WeakPolarHBondContact CA-OG1 3.22Å; I208-T211 PolarHBondContact O-N 3.21Å; I208-T211 PolarHBondContact O-OG1 3.1Å; T211-E214 PolarHBondContact O-N 3.29Å; T211-Q215 WeakPolarHBondContact O-CB 3.35Å; T211-Q215 WeakPolarHBondContact O-CG 3.37Å; T211-Q215 PolarHBondContact O-N 3.36Å
212V77.3Confident76.3Confident83 Ų83103.7 Ų103.750%0.50353%0.527SS..Hα-helixtrans-67-39.3173.5171.70000111.2I208 K209 E210 Q215 S216I208-V212 HydrophobicContact CG2-CG2 4.36Å; I208-V212 WeakPolarHBondContact O-CB 3.2Å; I208-V212 WeakPolarHBondContact O-CG2 3.45Å; I208-V212 PolarHBondContact O-N 3.39Å; K209-V212 PolarHBondContact O-N 3.5Å; E210-V212 PolarHBondContact O-N 2.95Å; V212-Q215 PolarHBondContact O-N 3.26Å; V212-S216 WeakPolarHBondContact O-CB 3.25Å; V212-S216 PolarHBondContact O-N 3.33Å; V212-S216 PolarHBondContact O-OG 3.14Å
213F73.5Confident74.6Confident147 Ų147105.8 Ų105.865%0.64554%0.536SS*.Hα-helixtrans-65.5-43.1175-174.1-99.1000111.8K209 E210 Q215 S216 S217K209-F213 WeakPolarHBondContact O-CB 3.29Å; K209-F213 PolarHBondContact O-N 3.37Å; E210-F213 PolarHBondContact O-N 2.89Å; F213-Q215 PolarHBondContact O-N 3.48Å; F213-S216 WeakPolarHBondContact CA-OG 3.37Å; F213-S216 PolarHBondContact O-N 3.48Å; F213-S216 PolarHBondContact O-OG 2.97Å; F213-S217 WeakPolarHBondContact O-CB 2.99Å; F213-S217 PolarHBondContact O-N 3.36Å; F213-S217 PolarHBondContact O-OG 2.79Å
214E71.9Confident72.9Confident108 Ų108104.9 Ų104.951%0.50554%0.542SS..Hα-helixtrans-61.6-41.6173.1-82.6-146.8-175.200112.8E210 T211 S217 K218E210-E214 WeakPolarHBondContact O-CB 3.45Å; E210-E214 PolarHBondContact O-N 3.27Å; T211-E214 PolarHBondContact O-N 3.29Å; E214-S217 WeakPolarHBondContact CA-OG 3.4Å; E214-S217 PolarHBondContact O-OG 3.5Å; E214-K218 WeakPolarHBondContact O-CB 3.32Å; E214-K218 WeakPolarHBondContact O-CG 3.38Å; E214-K218 PolarHBondContact O-N 3.49Å; E214-K218 IonicContact OE2-NZ 2.71Å; E214-K218 PolarHBondContact OE2-NZ 2.92Å
215Q71.4Confident71.2Confident133 Ų133102.9 Ų102.962%0.62155%0.546SS*.Hα-helixtrans-68-38.1177.3-74175.15.800111.4T211 V212 F213 A219T211-Q215 WeakPolarHBondContact O-CB 3.35Å; T211-Q215 WeakPolarHBondContact O-CG 3.37Å; T211-Q215 PolarHBondContact O-N 3.36Å; V212-Q215 PolarHBondContact O-N 3.26Å; F213-Q215 PolarHBondContact O-N 3.48Å; Q215-A219 WeakPolarHBondContact O-CB 3.06Å; Q215-A219 PolarHBondContact O-N 2.79Å
216S70.1Confident69.5Low51 Ų51108.3 Ų108.336%0.35757%0.566SS.*Hα-helixtrans-69.3-38.3177.474.60000113.2V212 F213 A219 Q220V212-S216 WeakPolarHBondContact O-CB 3.25Å; V212-S216 PolarHBondContact O-N 3.33Å; V212-S216 PolarHBondContact O-OG 3.14Å; F213-S216 WeakPolarHBondContact CA-OG 3.37Å; F213-S216 PolarHBondContact O-N 3.48Å; F213-S216 PolarHBondContact O-OG 2.97Å; S216-A219 PolarHBondContact O-N 2.97Å; S216-Q220 WeakPolarHBondContact O-CG 3.41Å; S216-Q220 PolarHBondContact O-N 3.23Å
217S68Low67.8Low47 Ų47112.5 Ų112.533%0.32958%0.582SS.*Hα-helixtrans-72.3-36.7175.6540000112.5F213 E214 A219 Q220 S221F213-S217 WeakPolarHBondContact O-CB 2.99Å; F213-S217 PolarHBondContact O-N 3.36Å; F213-S217 PolarHBondContact O-OG 2.79Å; E214-S217 WeakPolarHBondContact CA-OG 3.4Å; E214-S217 PolarHBondContact O-OG 3.5Å; S217-A219 VanDerWaalsContact C-N 3.34Å; S217-Q220 PolarHBondContact O-N 3.3Å; S217-S221 PolarHBondContact O-N 3.07Å; S217-S221 PolarHBondContact O-OG 3.43Å
218K66.2Low66.2Low128 Ų128107.2 Ų107.256%0.55758%0.581SS**Hα-helixtrans-63.8-37.2168.8-77.5168.6179.9153.20112.1E214 S221 A222E214-K218 WeakPolarHBondContact O-CB 3.32Å; E214-K218 WeakPolarHBondContact O-CG 3.38Å; E214-K218 PolarHBondContact O-N 3.49Å; E214-K218 IonicContact OE2-NZ 2.71Å; E214-K218 PolarHBondContact OE2-NZ 2.92Å; K218-S221 PolarHBondContact O-OG 3.34Å; K218-S221 VanDerWaalsContact O-OG 3.13Å; K218-A222 WeakPolarHBondContact O-CB 3.46Å; K218-A222 PolarHBondContact O-N 2.93Å; K218-A222 VanDerWaalsContact O-N 3.14Å
219A59.4Low64.2Low56 Ų56112.7 Ų112.746%0.46360%0.601SS.*Hα-helixtrans-70.4-31175.900000113.4Q215 S216 S217Q215-A219 WeakPolarHBondContact O-CB 3.06Å; Q215-A219 PolarHBondContact O-N 2.79Å; S216-A219 PolarHBondContact O-N 2.97Å; S217-A219 VanDerWaalsContact C-N 3.34Å
220Q60.4Low62Low145 Ų145118.9 Ų118.968%0.67863%0.628SS**Hα-helixtrans-75.9-39.5175.3-76.7179.7-17.500112.7S216 S217 K223 S224S216-Q220 WeakPolarHBondContact O-CG 3.41Å; S216-Q220 PolarHBondContact O-N 3.23Å; S217-Q220 PolarHBondContact O-N 3.3Å; Q220-K223 PolarHBondContact O-N 3.09Å; Q220-S224 PolarHBondContact O-N 2.86Å
221S60.1Low61Low71 Ų71120.1 Ų120.150%0.49764%0.638SS.*Hα-helixtrans-70.1-29.717663.30000113.3S217 K218 K223 S224 G225S217-S221 PolarHBondContact O-N 3.07Å; S217-S221 PolarHBondContact O-OG 3.43Å; K218-S221 PolarHBondContact O-OG 3.34Å; K218-S221 VanDerWaalsContact O-OG 3.13Å; S221-K223 VanDerWaalsContact C-N 3.28Å; S221-K223 PolarHBondContact O-N 3.16Å; S221-S224 PolarHBondContact O-N 3.36Å; S221-S224 PolarHBondContact O-OG 3.34Å; S221-G225 PolarHBondContact O-N 3.14Å
222A57.2Low60.1Low68 Ų68122.7 Ų122.756%0.56265%0.649SS**Hα-helixtrans-68.2-24.2171.700000113.3K218K218-A222 WeakPolarHBondContact O-CB 3.46Å; K218-A222 PolarHBondContact O-N 2.93Å; K218-A222 VanDerWaalsContact O-N 3.14Å
223K56.6Low59.2Low180 Ų180124.9 Ų124.978%0.78366%0.657SS**Hα-helixtrans-82.8-27.4175.6-76.5179.8178.4177.10113.1Q220 S221Q220-K223 PolarHBondContact O-N 3.09Å; S221-K223 VanDerWaalsContact C-N 3.28Å; S221-K223 PolarHBondContact O-N 3.16Å
224S55.4Low58.3Low94 Ų94123.6 Ų123.666%0.65766%0.658SS**Hα-helixtrans-77.7-20.9174.952.80000113.9Q220 S221 K226Q220-S224 PolarHBondContact O-N 2.86Å; S221-S224 PolarHBondContact O-N 3.36Å; S221-S224 PolarHBondContact O-OG 3.34Å; S224-K226 VanDerWaalsContact C-N 3.34Å; S224-K226 PolarHBondContact O-N 3.06Å
225G52.4Low57.5Low62 Ų62124.6 Ų124.664%0.63967%0.667SS**THydrogen-bonded Turntrans-78.5-7177.700000115.8S221S221-G225 PolarHBondContact O-N 3.14Å
226K54.6Low56.6Low195 Ų195124.1 Ų124.185%0.84867%0.67SS**THydrogen-bonded Turntrans-93.814.1-176.3-121.4176.8-175.7177.80114.9S224S224-K226 VanDerWaalsContact C-N 3.34Å; S224-K226 PolarHBondContact O-N 3.06Å
227K52.5Low55.6Low207 Ų207129.3 Ų129.390%0.969%0.693SS**SBendtrans-11568.4166.8-80.4-172.1176.4179.60110
228G51Low54.7Low61 Ų61135.6 Ų135.663%0.62972%0.721SS**  trans177.368.3179.300000115.1
229K45.3Very low53.7Low212 Ų212136.3 Ų136.392%0.92273%0.734SS**  trans170.696.6135.1-95.7167.5176176.80109.5
230K39.6Very low53.2Low284 Ų284143.5 Ų143.5100%1.23576%0.759SS**  trans-720137.6-93.4-176.5169.2-178.20107.6

Retrieved 230 of 230 residues in 42.7 ms (Link to these results)

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