A0A087XAG6_POEFO Loading...

DnaJ heat shock protein family (Hsp40) member B2

AlphaFold DB , UniProt , Accession A0A087XAG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 305 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
1M57.6Low83.5Confident205 Ų20560.1 Ų60.1100%1.0137%0.373SS*.  01310-155.2147.9-177.700107.1
2V66.5Low83.7Confident76 Ų7665 Ų6546%0.46138%0.379SS..  trans-83.4117-178.7-178.10000107.5Y4 V7 Y65V2-Y4 PolarHBondContact O-N 3.4Å; V2-V7 HydrophobicContact CG1-CG2 3.28Å; V2-Y65 PolarHBondContact O-OH 3.08Å
3D84.6Confident83.9Confident43 Ų4371.7 Ų71.723%0.2341%0.413CS..  trans-81110.1173.8175.117.4000108.9Y5 S6 V7D3-Y5 PolarHBondContact O-N 3.43Å; D3-Y5 WeakPolarHBondContact OD1-CB 3.44Å; D3-Y5 PolarHBondContact OD1-N 3.06Å; D3-Y5 VanDerWaalsContact OD1-N 3.16Å; D3-S6 WeakPolarHBondContact O-CA 2.92Å; D3-S6 WeakPolarHBondContact O-CB 3.49Å; D3-S6 PolarHBondContact O-N 3.46Å; D3-S6 WeakPolarHBondContact OD2-CB 3.44Å; D3-S6 PolarHBondContact OD2-OG 3.09Å; D3-V7 WeakPolarHBondContact O-CG2 3.5Å; D3-V7 PolarHBondContact O-N 3.17Å
4Y87.3Confident84.2Confident35 Ų3567.5 Ų67.514%0.13739%0.391CS..Hα-helixtrans-63.3-29.2-176.6-62.9-44.8000112.4V2 V7 L8 E51 A52 V55 Y65V2-Y4 PolarHBondContact O-N 3.4Å; Y4-V7 PolarHBondContact O-N 3.48Å; Y4-L8 PolarHBondContact O-N 3.43Å; Y4-L8 VanDerWaalsContact O-N 3.13Å; Y4-E51 HydrophobicContact CE1-CG 3.96Å; Y4-E51 WeakPolarHBondContact CE1-OE1 3.26Å; Y4-E51 PolarHBondContact OH-OE1 2.87Å; Y4-A52 HydrophobicContact CD1-CB 3.67Å; Y4-A52 HydrophobicContact CG-CB 4.01Å; Y4-V55 HydrophobicContact CD2-CB 4.11Å; Y4-V55 HydrophobicContact CD2-CG1 3.97Å; Y4-V55 HydrophobicContact CD2-CG2 4.45Å; Y4-V55 HydrophobicContact CE2-CB 4.08Å; Y4-V55 HydrophobicContact CE2-CG1 3.97Å; Y4-V55 HydrophobicContact CE2-CG2 3.94Å; Y4-Y65 HydrophobicContact CD2-CD1 4.28Å; Y4-Y65 AromaticContact CD2-CD2 3.65Å; Y4-Y65 HydrophobicContact CD2-CD2 3.65Å; Y4-Y65 AromaticContact CD2-CE1 3.87Å; Y4-Y65 HydrophobicContact CD2-CE1 3.87Å; Y4-Y65 AromaticContact CD2-CE2 3.18Å; Y4-Y65 HydrophobicContact CD2-CE2 3.18Å; Y4-Y65 HydrophobicContact CD2-CG 4.16Å; Y4-Y65 AromaticContact CD2-CZ 3.29Å; Y4-Y65 AromaticContact CE2-CD2 3.61Å; Y4-Y65 HydrophobicContact CE2-CD2 3.61Å; Y4-Y65 AromaticContact CE2-CE2 3.25Å; Y4-Y65 HydrophobicContact CE2-CE2 3.25Å; Y4-Y65 HydrophobicContact CE2-CG 4.47Å; Y4-Y65 AromaticContact CE2-CZ 3.87Å; Y4-Y65 HydrophobicContact CG-CE2 4.27Å; Y4-Y65 PolarHBondContact N-OH 2.8Å
5Y89.3Confident84.6Confident7 Ų766.3 Ų66.33%0.02739%0.388CS..Hα-helixtrans-67.4-40.9173.9-65.1-77.5000111.1D3 G9 V10 R12 L56 R62 Y65 D66D3-Y5 PolarHBondContact O-N 3.43Å; D3-Y5 WeakPolarHBondContact OD1-CB 3.44Å; D3-Y5 PolarHBondContact OD1-N 3.06Å; D3-Y5 VanDerWaalsContact OD1-N 3.16Å; Y5-G9 PolarHBondContact O-N 3.49Å; Y5-V10 HydrophobicContact CD1-CG2 4.2Å; Y5-V10 PolarHBondContact O-N 2.62Å; Y5-R12 HydrophobicContact CD1-CB 4.45Å; Y5-R12 HydrophobicContact CD1-CG 4.26Å; Y5-R12 HydrophobicContact CD2-CG 3.83Å; Y5-R12 HydrophobicContact CE1-CB 4.43Å; Y5-R12 HydrophobicContact CE2-CG 4.14Å; Y5-R12 HydrophobicContact CG-CG 3.88Å; Y5-L56 HydrophobicContact CD1-CD1 4.01Å; Y5-L56 HydrophobicContact CD1-CD2 4.36Å; Y5-L56 HydrophobicContact CD2-CD2 4.49Å; Y5-L56 HydrophobicContact CE1-CD1 4.14Å; Y5-L56 HydrophobicContact CE1-CD2 3.74Å; Y5-L56 HydrophobicContact CE2-CD2 3.91Å; Y5-L56 HydrophobicContact CG-CD1 4.3Å; Y5-L56 VanDerWaalsContact CZ-CD2 3.5Å; Y5-R62 PolarHBondContact OH-NE 3.3Å; Y5-Y65 HydrophobicContact CD2-CE1 4.05Å; Y5-Y65 HydrophobicContact CE2-CD1 4.04Å; Y5-Y65 AromaticContact CE2-CE1 3.77Å; Y5-Y65 HydrophobicContact CE2-CE1 3.77Å; Y5-D66 WeakPolarHBondContact CE2-OD1 3.29Å; Y5-D66 PolarHBondContact OH-OD1 2.76Å; Y5-D66 PolarHBondContact OH-OD2 2.8Å
6S88.6Confident84.7Confident88 Ų8864.1 Ų64.162%0.61537%0.372SS*.Hα-helixtrans-68.7-36.3175.1-67.80000112.7D3 G9D3-S6 WeakPolarHBondContact O-CA 2.92Å; D3-S6 WeakPolarHBondContact O-CB 3.49Å; D3-S6 PolarHBondContact O-N 3.46Å; D3-S6 WeakPolarHBondContact OD2-CB 3.44Å; D3-S6 PolarHBondContact OD2-OG 3.09Å; S6-G9 PolarHBondContact O-N 3.12Å
7V88.8Confident84.8Confident32 Ų3266.1 Ų66.119%0.19438%0.381CS..Hα-helixtrans-63.3-42.8176.2171.40000111.7V2 D3 Y4 G9 E48 L49 A52V2-V7 HydrophobicContact CG1-CG2 3.28Å; D3-V7 WeakPolarHBondContact O-CG2 3.5Å; D3-V7 PolarHBondContact O-N 3.17Å; Y4-V7 PolarHBondContact O-N 3.48Å; V7-G9 VanDerWaalsContact C-N 3.3Å; V7-E48 HydrophobicContact CG1-CB 4.06Å; V7-L49 HydrophobicContact CG1-CD2 3.91Å; V7-L49 HydrophobicContact CG1-CG 4.29Å; V7-A52 HydrophobicContact CB-CB 4.25Å; V7-A52 HydrophobicContact CG1-CB 4.05Å
8L88.8Confident85Confident3 Ų366.4 Ų66.42%0.01638%0.381CS..Hα-helixtrans-81.3-9.1176.2-71.1172.8000113.2Y4 V10 I19 Y23 L26 L49 A52 L56Y4-L8 PolarHBondContact O-N 3.43Å; Y4-L8 VanDerWaalsContact O-N 3.13Å; L8-V10 VanDerWaalsContact C-N 3.28Å; L8-V10 HydrophobicContact CB-CG1 4.35Å; L8-V10 HydrophobicContact CB-CG2 3.85Å; L8-V10 PolarHBondContact O-N 2.9Å; L8-I19 HydrophobicContact CD1-CG2 3.97Å; L8-Y23 HydrophobicContact CD2-CD2 4.12Å; L8-Y23 HydrophobicContact CD2-CG 4.47Å; L8-L26 WeakPolarHBondContact O-CD1 3.46Å; L8-L49 HydrophobicContact CD2-CD2 3.87Å; L8-A52 HydrophobicContact CD1-CB 4.09Å; L8-A52 HydrophobicContact CG-CB 3.94Å; L8-L56 HydrophobicContact CD1-CD1 3.77Å
9G87.9Confident85.3Confident70 Ų7062.9 Ų62.972%0.72236%0.361SS*.THydrogen-bonded Turntrans64.830.7-177.200000113.4Y5 S6 V7Y5-G9 PolarHBondContact O-N 3.49Å; S6-G9 PolarHBondContact O-N 3.12Å; V7-G9 VanDerWaalsContact C-N 3.3Å
10V89.9Confident85.4Confident26 Ų2663.3 Ų63.316%0.15836%0.359CS..  trans-114.6153.4-177.3-640000111.2Y5 L8 A14 I19 A22Y5-V10 HydrophobicContact CD1-CG2 4.2Å; Y5-V10 PolarHBondContact O-N 2.62Å; L8-V10 VanDerWaalsContact C-N 3.28Å; L8-V10 HydrophobicContact CB-CG1 4.35Å; L8-V10 HydrophobicContact CB-CG2 3.85Å; L8-V10 PolarHBondContact O-N 2.9Å; V10-A14 HydrophobicContact CB-CB 3.93Å; V10-A14 HydrophobicContact CG2-CB 4.34Å; V10-I19 HydrophobicContact CG2-CG1 4.21Å; V10-A22 HydrophobicContact CG1-CB 3.37Å
11S89.3Confident85.5Confident76 Ų7666.2 Ų66.253%0.53137%0.367SS..  trans-69.4152.6174-174.70000111.2N13 A14S11-N13 PolarHBondContact O-N 3.34Å; S11-N13 VanDerWaalsContact O-N 3.13Å; S11-N13 PolarHBondContact OG-N 3.06Å; S11-A14 WeakPolarHBondContact O-CB 3.41Å; S11-A14 PolarHBondContact O-N 3.42Å
12R86.1Confident87Confident119 Ų11957.2 Ų57.245%0.44933%0.326SS..THydrogen-bonded Turntrans-59.7-21.6172.2-63.9-178.5179.8-159.7-8.4113.5Y5 R62 N70Y5-R12 HydrophobicContact CD1-CB 4.45Å; Y5-R12 HydrophobicContact CD1-CG 4.26Å; Y5-R12 HydrophobicContact CD2-CG 3.83Å; Y5-R12 HydrophobicContact CE1-CB 4.43Å; Y5-R12 HydrophobicContact CE2-CG 4.14Å; Y5-R12 HydrophobicContact CG-CG 3.88Å; R12-R62 PolarHBondContact O-NH2 3.3Å; R12-N70 VanDerWaalsContact CZ-OD1 3.23Å; R12-N70 VanDerWaalsContact NH1-CG 3.31Å; R12-N70 PolarHBondContact NH1-ND2 3.42Å; R12-N70 PolarHBondContact NH1-OD1 3.42Å; R12-N70 PolarHBondContact NH2-OD1 3.07Å
13N86.4Confident88.1Confident152 Ų15253.6 Ų53.681%0.81330%0.304SS*.THydrogen-bonded Turntrans-93.47174.8-67.3-46.4000113.5S11S11-N13 PolarHBondContact O-N 3.34Å; S11-N13 VanDerWaalsContact O-N 3.13Å; S11-N13 PolarHBondContact OG-N 3.06Å
14A87.7Confident88.1Confident13 Ų1354.6 Ų54.611%0.10730%0.304CS..  trans-61.9142.6-177.900000111.7V10 S11 D18 I19 R62V10-A14 HydrophobicContact CB-CB 3.93Å; V10-A14 HydrophobicContact CG2-CB 4.34Å; S11-A14 WeakPolarHBondContact O-CB 3.41Å; S11-A14 PolarHBondContact O-N 3.42Å; A14-D18 HydrophobicContact CB-CB 4.16Å; A14-I19 HydrophobicContact CB-CG1 4.28Å; A14-R62 PolarHBondContact O-NH1 3.06Å; A14-R62 PolarHBondContact O-NH2 2.85Å
15S89.8Confident88.1Confident49 Ų4959 Ų5934%0.34332%0.324SS..  trans-69.2162.8173.975.40000110.6D17 D18 I19S15-D17 PolarHBondContact O-N 2.76Å; S15-D17 PolarHBondContact OG-N 3.38Å; S15-D18 WeakPolarHBondContact CB-OD2 3.42Å; S15-D18 PolarHBondContact N-OD2 3.31Å; S15-D18 PolarHBondContact O-N 2.89Å; S15-D18 PolarHBondContact OG-N 2.87Å; S15-D18 VanDerWaalsContact OG-N 3.16Å; S15-D18 PolarHBondContact OG-OD2 2.91Å; S15-I19 WeakPolarHBondContact O-CG1 3.46Å; S15-I19 PolarHBondContact O-N 3.19Å; S15-I19 VanDerWaalsContact O-N 3.11Å
16Q87.2Confident88.1Confident31 Ų3160.6 Ų60.615%0.14533%0.333CS..Hα-helixtrans-61.2-33.7175.2-70.8-61-1700111.8I19 K20 L56 S57Q16-I19 PolarHBondContact O-N 3.16Å; Q16-K20 VanDerWaalsContact O-CG 3.25Å; Q16-K20 WeakPolarHBondContact O-CG 3.2Å; Q16-K20 PolarHBondContact O-N 2.92Å; Q16-L56 PolarHBondContact NE2-O 3.4Å; Q16-L56 PolarHBondContact OE1-O 3.45Å; Q16-L56 VanDerWaalsContact OE1-O 3.05Å; Q16-S57 VanDerWaalsContact OE1-CA 3.27Å; Q16-S57 PolarHBondContact OE1-O 3.04Å
17D86.5Confident88Confident98 Ų9856.4 Ų56.452%0.52430%0.304SS..Hα-helixtrans-69.3-34.4177.1-61.3-53.2000112.2S15 K20 K21S15-D17 PolarHBondContact O-N 2.76Å; S15-D17 PolarHBondContact OG-N 3.38Å; D17-K20 PolarHBondContact O-N 3.05Å; D17-K21 WeakPolarHBondContact O-CB 3.41Å; D17-K21 WeakPolarHBondContact O-CD 3.49Å; D17-K21 WeakPolarHBondContact O-CG 3.3Å; D17-K21 PolarHBondContact O-N 3.38Å
18D88.3Confident87.7Confident72 Ų7257 Ų5739%0.38531%0.305SS..Hα-helixtrans-69.9-39.3176.1-60.6-40.7000111.6A14 S15 K21 A22A14-D18 HydrophobicContact CB-CB 4.16Å; S15-D18 WeakPolarHBondContact CB-OD2 3.42Å; S15-D18 PolarHBondContact N-OD2 3.31Å; S15-D18 PolarHBondContact O-N 2.89Å; S15-D18 PolarHBondContact OG-N 2.87Å; S15-D18 VanDerWaalsContact OG-N 3.16Å; S15-D18 PolarHBondContact OG-OD2 2.91Å; D18-K21 PolarHBondContact O-N 2.94Å; D18-A22 VanDerWaalsContact O-CB 3.28Å; D18-A22 WeakPolarHBondContact O-CB 3.5Å; D18-A22 PolarHBondContact O-N 3.17Å
19I89.4Confident87.5Confident0 Ų063.2 Ų63.20%033%0.332CS..Hα-helixtrans-60.7-45.8173.4-70.8161.6000110.3L8 V10 A14 S15 Q16 A22 Y23 Y53 L56 R62L8-I19 HydrophobicContact CD1-CG2 3.97Å; V10-I19 HydrophobicContact CG2-CG1 4.21Å; A14-I19 HydrophobicContact CB-CG1 4.28Å; S15-I19 WeakPolarHBondContact O-CG1 3.46Å; S15-I19 PolarHBondContact O-N 3.19Å; S15-I19 VanDerWaalsContact O-N 3.11Å; Q16-I19 PolarHBondContact O-N 3.16Å; I19-A22 PolarHBondContact O-N 2.96Å; I19-Y23 WeakPolarHBondContact O-CB 3.22Å; I19-Y23 PolarHBondContact O-N 2.9Å; I19-Y53 HydrophobicContact CG2-CD2 3.91Å; I19-Y53 HydrophobicContact CG2-CE2 4.2Å; I19-L56 HydrophobicContact CD1-CB 4.21Å; I19-L56 HydrophobicContact CG2-CB 4.07Å; I19-R62 VanDerWaalsContact CD1-NH1 3.3Å
20K87.9Confident87.5Confident71 Ų7162.6 Ų62.631%0.30931%0.308SS..Hα-helixtrans-59.5-46.6174.6-72.8-179.5-178.4-171.80112.7Q16 D17 R24 Y53 F103Q16-K20 VanDerWaalsContact O-CG 3.25Å; Q16-K20 WeakPolarHBondContact O-CG 3.2Å; Q16-K20 PolarHBondContact O-N 2.92Å; D17-K20 PolarHBondContact O-N 3.05Å; K20-R24 WeakPolarHBondContact O-CB 3.44Å; K20-R24 PolarHBondContact O-N 2.9Å; K20-Y53 HydrophobicContact CB-CE2 4.38Å; K20-Y53 HydrophobicContact CG-CE2 3.82Å; K20-Y53 WeakPolarHBondContact CG-OH 3.28Å; K20-F103 HydrophobicContact CD-CE1 4.48Å
21K87.6Confident87.2Confident124 Ų12463.9 Ų63.954%0.53931%0.312SS..Hα-helixtrans-65-42.9179.1-74.9168-176.6175.30111.7D17 D18 K25D17-K21 WeakPolarHBondContact O-CB 3.41Å; D17-K21 WeakPolarHBondContact O-CD 3.49Å; D17-K21 WeakPolarHBondContact O-CG 3.3Å; D17-K21 PolarHBondContact O-N 3.38Å; D18-K21 PolarHBondContact O-N 2.94Å; K21-K25 WeakPolarHBondContact O-CG 3.16Å; K21-K25 PolarHBondContact O-N 2.76Å; K21-K25 VanDerWaalsContact O-N 3.1Å
22A89.7Confident86.8Confident16 Ų1662.2 Ų62.213%0.13230%0.3CS..Hα-helixtrans-65.7-47.2179.100000111.6V10 D18 I19 R24 K25 L26V10-A22 HydrophobicContact CG1-CB 3.37Å; D18-A22 VanDerWaalsContact O-CB 3.28Å; D18-A22 WeakPolarHBondContact O-CB 3.5Å; D18-A22 PolarHBondContact O-N 3.17Å; I19-A22 PolarHBondContact O-N 2.96Å; A22-R24 VanDerWaalsContact C-N 3.34Å; A22-R24 PolarHBondContact O-N 3.25Å; A22-K25 PolarHBondContact O-N 2.8Å; A22-L26 WeakPolarHBondContact O-CG 3.48Å; A22-L26 PolarHBondContact O-N 3Å
23Y88.9Confident86.4Confident0 Ų063.1 Ų63.10%031%0.313CS..Hα-helixtrans-56.6-48.1175.4176.2-119.5000111.4L8 I19 K25 L26 A27 L49 A50 Y53 F100 F104L8-Y23 HydrophobicContact CD2-CD2 4.12Å; L8-Y23 HydrophobicContact CD2-CG 4.47Å; I19-Y23 WeakPolarHBondContact O-CB 3.22Å; I19-Y23 PolarHBondContact O-N 2.9Å; Y23-K25 PolarHBondContact O-N 2.73Å; Y23-L26 PolarHBondContact O-N 2.79Å; Y23-A27 WeakPolarHBondContact O-CB 3.39Å; Y23-A27 PolarHBondContact O-N 2.83Å; Y23-L49 HydrophobicContact CD2-CB 4.06Å; Y23-L49 WeakPolarHBondContact CD2-O 3.34Å; Y23-L49 HydrophobicContact CE2-CB 3.94Å; Y23-L49 WeakPolarHBondContact CE2-O 3.49Å; Y23-A50 HydrophobicContact CE2-CB 4.46Å; Y23-Y53 AromaticContact CD1-CD1 3.61Å; Y23-Y53 HydrophobicContact CD1-CD1 3.61Å; Y23-Y53 AromaticContact CD1-CD2 3.68Å; Y23-Y53 HydrophobicContact CD1-CD2 3.68Å; Y23-Y53 AromaticContact CD1-CE1 3.88Å; Y23-Y53 HydrophobicContact CD1-CE1 3.88Å; Y23-Y53 AromaticContact CD1-CE2 3.97Å; Y23-Y53 HydrophobicContact CD1-CE2 3.97Å; Y23-Y53 AromaticContact CD1-CG 3.47Å; Y23-Y53 HydrophobicContact CD1-CG 3.47Å; Y23-Y53 VanDerWaalsContact CD1-CG 3.47Å; Y23-Y53 HydrophobicContact CD2-CD2 4.41Å; Y23-Y53 AromaticContact CD2-CG 3.99Å; Y23-Y53 HydrophobicContact CD2-CG 3.99Å; Y23-Y53 AromaticContact CE1-CD1 3.62Å; Y23-Y53 HydrophobicContact CE1-CD1 3.62Å; Y23-Y53 AromaticContact CE1-CE1 3.99Å; Y23-Y53 HydrophobicContact CE1-CE1 3.99Å; Y23-Y53 AromaticContact CE1-CG 3.88Å; Y23-Y53 HydrophobicContact CE1-CG 3.88Å; Y23-Y53 HydrophobicContact CE2-CG 4.39Å; Y23-Y53 HydrophobicContact CG-CD1 4.15Å; Y23-Y53 AromaticContact CG-CD2 3.62Å; Y23-Y53 HydrophobicContact CG-CD2 3.62Å; Y23-Y53 HydrophobicContact CG-CE2 4.27Å; Y23-Y53 AromaticContact CG-CG 3.53Å; Y23-Y53 HydrophobicContact CG-CG 3.53Å; Y23-F100 AromaticContact CE1-CD2 3.76Å; Y23-F100 HydrophobicContact CE1-CD2 3.76Å; Y23-F100 HydrophobicContact CE1-CE2 4.37Å; Y23-F104 AromaticContact CD1-CE2 3.84Å; Y23-F104 HydrophobicContact CD1-CE2 3.84Å; Y23-F104 HydrophobicContact CD1-CZ 4.05Å; Y23-F104 AromaticContact CE1-CE2 3.74Å; Y23-F104 HydrophobicContact CE1-CE2 3.74Å; Y23-F104 HydrophobicContact CE1-CZ 4.41Å
24R85.7Confident86Confident64 Ų6461.6 Ų61.624%0.24230%0.3CS..Hα-helixtrans-57-44.6177.3-178.9-174.9-67.8-162.3-0.1113K20 A22 L28 P109K20-R24 WeakPolarHBondContact O-CB 3.44Å; K20-R24 PolarHBondContact O-N 2.9Å; A22-R24 VanDerWaalsContact C-N 3.34Å; A22-R24 PolarHBondContact O-N 3.25Å; R24-L28 PolarHBondContact O-N 3.48Å; R24-P109 VanDerWaalsContact CD-O 3.23Å; R24-P109 WeakPolarHBondContact CD-O 3.45Å; R24-P109 HydrophobicContact CG-CB 4.13Å; R24-P109 PolarHBondContact NE-O 3.31Å; R24-P109 PolarHBondContact NH1-O 2.78Å
25K87.3Confident85.6Confident128 Ų12863.1 Ų63.156%0.55731%0.306SS*.Hα-helixtrans-64.9-43.4179-73.7175.4-179.9-176.60111.9K21 A22 Y23 K29K21-K25 WeakPolarHBondContact O-CG 3.16Å; K21-K25 PolarHBondContact O-N 2.76Å; K21-K25 VanDerWaalsContact O-N 3.1Å; A22-K25 PolarHBondContact O-N 2.8Å; Y23-K25 PolarHBondContact O-N 2.73Å; K25-K29 PolarHBondContact O-N 2.8Å
26L88.9Confident85.1Confident40 Ų4065.2 Ų65.221%0.20932%0.319CS..Hα-helixtrans-75.1-35.7-177.7-68.7168.1000112L8 A22 Y23 L28 K29 W30 L49L8-L26 WeakPolarHBondContact O-CD1 3.46Å; A22-L26 WeakPolarHBondContact O-CG 3.48Å; A22-L26 PolarHBondContact O-N 3Å; Y23-L26 PolarHBondContact O-N 2.79Å; L26-L28 VanDerWaalsContact C-N 3.33Å; L26-L28 PolarHBondContact O-N 2.77Å; L26-K29 PolarHBondContact O-N 2.8Å; L26-K29 VanDerWaalsContact O-N 3.16Å; L26-W30 PolarHBondContact O-N 2.89Å; L26-L49 HydrophobicContact CB-CD1 3.62Å; L26-L49 HydrophobicContact CB-CD2 3.61Å; L26-L49 HydrophobicContact CB-CG 4.28Å; L26-L49 HydrophobicContact CD1-CD2 3.55Å; L26-L49 HydrophobicContact CG-CD2 4.16Å
27A85.6Confident84.9Confident0 Ų071.6 Ų71.60%035%0.353CS..Hα-helixtrans-58.8-43.3171.900000111.5Y23 K29 H31 F46 F100Y23-A27 WeakPolarHBondContact O-CB 3.39Å; Y23-A27 PolarHBondContact O-N 2.83Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 2.97Å; A27-H31 WeakPolarHBondContact O-CB 3.35Å; A27-H31 PolarHBondContact O-N 2.78Å; A27-F46 HydrophobicContact CB-CD2 4.46Å; A27-F46 HydrophobicContact CB-CE2 3.91Å; A27-F100 HydrophobicContact CB-CD2 4.29Å; A27-F100 HydrophobicContact CB-CE2 3.75Å
28L83.2Confident84.9Confident44 Ų4469.9 Ų69.923%0.2335%0.345CS..Hα-helixtrans-64.1-40.5174.6-170.356.6000112R24 L26 K34 F110R24-L28 PolarHBondContact O-N 3.48Å; L26-L28 VanDerWaalsContact C-N 3.33Å; L26-L28 PolarHBondContact O-N 2.77Å; L28-K34 HydrophobicContact CD1-CD 3.86Å; L28-K34 HydrophobicContact CG-CD 4.16Å; L28-K34 WeakPolarHBondContact O-CD 3.39Å; L28-F110 HydrophobicContact CB-CD1 3.91Å; L28-F110 HydrophobicContact CB-CE1 3.42Å; L28-F110 VanDerWaalsContact CB-CE1 3.42Å; L28-F110 HydrophobicContact CB-CZ 4.16Å; L28-F110 HydrophobicContact CD1-CD1 3.59Å; L28-F110 HydrophobicContact CD1-CD2 4.21Å; L28-F110 HydrophobicContact CD1-CE1 3.57Å; L28-F110 HydrophobicContact CD1-CE2 4.18Å; L28-F110 HydrophobicContact CD1-CG 3.93Å; L28-F110 HydrophobicContact CD1-CZ 3.84Å; L28-F110 HydrophobicContact CD2-CD1 3.99Å; L28-F110 HydrophobicContact CD2-CE1 4.37Å; L28-F110 HydrophobicContact CG-CD1 4.01Å; L28-F110 HydrophobicContact CG-CE1 3.93Å
29K85.2Confident84.7Confident134 Ų13472.4 Ų72.458%0.58335%0.352SS*.Hα-helixtrans-67-39.9-176.8-175.1176.7177.7179.10111.7K25 L26 A27 N35K25-K29 PolarHBondContact O-N 2.8Å; L26-K29 PolarHBondContact O-N 2.8Å; L26-K29 VanDerWaalsContact O-N 3.16Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 2.97Å; K29-N35 PolarHBondContact O-ND2 3.17Å
30W86.9Confident84.6Confident58 Ų5880.4 Ų80.422%0.2239%0.39CS..THydrogen-bonded Turntrans-103.716.1-176-66.5110.7000113.6L26 A42 K45 L49L26-W30 PolarHBondContact O-N 2.89Å; W30-A42 HydrophobicContact CE3-CB 4.15Å; W30-A42 WeakPolarHBondContact O-CB 3.48Å; W30-K45 HydrophobicContact CB-CB 4.21Å; W30-K45 HydrophobicContact CD2-CB 3.78Å; W30-K45 HydrophobicContact CD2-CG 4.04Å; W30-K45 HydrophobicContact CE3-CB 4.19Å; W30-K45 HydrophobicContact CE3-CG 4.26Å; W30-K45 HydrophobicContact CG-CB 3.81Å; W30-K45 HydrophobicContact CH2-CG 4.31Å; W30-K45 HydrophobicContact CZ2-CG 4.13Å; W30-K45 HydrophobicContact CZ3-CG 4.38Å; W30-L49 HydrophobicContact CB-CD1 4.41Å; W30-L49 HydrophobicContact CG-CD1 4.46Å
31H83.9Confident84.5Confident52 Ų5282.3 Ų82.324%0.24140%0.4CS..  trans-66.3136.5175.8-165.4-93.9000110.2A27 D33 K34 N35A27-H31 WeakPolarHBondContact O-CB 3.35Å; A27-H31 PolarHBondContact O-N 2.78Å; H31-D33 WeakPolarHBondContact ND1-CB 3.3Å; H31-D33 PolarHBondContact ND1-N 3.4Å; H31-D33 VanDerWaalsContact ND1-N 3.19Å; H31-D33 PolarHBondContact O-N 3.34Å; H31-K34 PolarHBondContact O-N 3.37Å; H31-N35 PolarHBondContact O-N 3.46Å; H31-N35 PolarHBondContact O-ND2 2.98Å; H31-N35 VanDerWaalsContact O-ND2 3.08Å
32P79.9Confident84.3Confident42 Ų4276.4 Ų76.427%0.27337%0.374SS..THydrogen-bonded Turntrans-61.7-29.3-178.222.8-34000113.1K34 N35 K39P32-K34 VanDerWaalsContact C-N 3.28Å; P32-K34 PolarHBondContact O-N 3.11Å; P32-N35 CarbonylContact O-C 3.45Å; P32-N35 PolarHBondContact O-N 3.35Å; P32-K39 HydrophobicContact CB-CG 4.35Å
33D78.3Confident84.1Confident137 Ų13781.4 Ų81.473%0.73339%0.394SS*.THydrogen-bonded Turntrans-64.2-30.7174.7-167.765.6000113.1H31H31-D33 WeakPolarHBondContact ND1-CB 3.3Å; H31-D33 PolarHBondContact ND1-N 3.4Å; H31-D33 VanDerWaalsContact ND1-N 3.19Å; H31-D33 PolarHBondContact O-N 3.34Å
34K77.8Confident84Confident121 Ų12188.1 Ų88.153%0.52642%0.423SS..THydrogen-bonded Turntrans-89.5-15-180-88.4177.6161-750113.7L28 H31 P32 P36L28-K34 HydrophobicContact CD1-CD 3.86Å; L28-K34 HydrophobicContact CG-CD 4.16Å; L28-K34 WeakPolarHBondContact O-CD 3.39Å; H31-K34 PolarHBondContact O-N 3.37Å; P32-K34 VanDerWaalsContact C-N 3.28Å; P32-K34 PolarHBondContact O-N 3.11Å; K34-P36 VanDerWaalsContact C-CD 3.42Å
35N80.6Confident84Confident45 Ų4589.2 Ų89.224%0.24143%0.43CS..  trans-129.563.8-177.1-57.2-86000110.2K29 H31 P32 D37 N38 K39 A42K29-N35 PolarHBondContact O-ND2 3.17Å; H31-N35 PolarHBondContact O-N 3.46Å; H31-N35 PolarHBondContact O-ND2 2.98Å; H31-N35 VanDerWaalsContact O-ND2 3.08Å; P32-N35 CarbonylContact O-C 3.45Å; P32-N35 PolarHBondContact O-N 3.35Å; N35-D37 VanDerWaalsContact C-N 3.25Å; N35-D37 PolarHBondContact O-N 3.48Å; N35-N38 CarbonylContact O-C 3.59Å; N35-N38 PolarHBondContact O-N 3.46Å; N35-K39 PolarHBondContact O-N 2.79Å; N35-A42 HydrophobicContact CB-CB 3.99Å
36P78.6Confident84Confident93 Ų9383.4 Ų83.460%0.60441%0.405SS*.G310 helixtrans-62.9-33-179.626-34.2000112.4K34K34-P36 VanDerWaalsContact C-CD 3.42Å
37D82.8Confident83.9Confident164 Ų16486.7 Ų86.788%0.87742%0.418SS*.G310 helixtrans-77.9-21-177.9-53.7-46.1000113.6N35N35-D37 VanDerWaalsContact C-N 3.25Å; N35-D37 PolarHBondContact O-N 3.48Å
38N85.8Confident84Confident63 Ų6388.7 Ų88.734%0.33743%0.427SS..G310 helixtrans-132.548-175.3-159.53000111.4N35 E40 E41 A42N35-N38 CarbonylContact O-C 3.59Å; N35-N38 PolarHBondContact O-N 3.46Å; N38-E40 VanDerWaalsContact C-N 3.33Å; N38-E40 PolarHBondContact O-N 2.89Å; N38-E41 PolarHBondContact ND2-OE2 3.23Å; N38-E41 VanDerWaalsContact OD1-CB 3.32Å; N38-E41 WeakPolarHBondContact OD1-CB 3.47Å; N38-E41 WeakPolarHBondContact OD1-CG 3.39Å; N38-A42 VanDerWaalsContact O-CB 3.27Å; N38-A42 WeakPolarHBondContact O-CB 3.38Å; N38-A42 PolarHBondContact O-N 2.88Å
39K85.4Confident84.3Confident124 Ų12486.8 Ų86.854%0.53942%0.417SS..Hα-helixtrans-61-39.4-173.6-171.5179.5177.3-175.20112.8P32 N35 A42 E43P32-K39 HydrophobicContact CB-CG 4.35Å; N35-K39 PolarHBondContact O-N 2.79Å; K39-A42 PolarHBondContact O-N 3.1Å; K39-E43 VanDerWaalsContact O-CB 3.32Å; K39-E43 WeakPolarHBondContact O-CB 3.36Å; K39-E43 PolarHBondContact O-N 3.28Å
40E86.1Confident84.4Confident169 Ų16980.7 Ų80.779%0.7939%0.392SS*.Hα-helixtrans-67.2-45.1-177.3-64.4-175.4179.200112.4N38 K44N38-E40 VanDerWaalsContact C-N 3.33Å; N38-E40 PolarHBondContact O-N 2.89Å; E40-K44 WeakPolarHBondContact O-CB 3.47Å; E40-K44 PolarHBondContact O-N 3.48Å
41E85.8Confident84.3Confident111 Ų11180.4 Ų80.452%0.51939%0.392SS..Hα-helixtrans-69.1-37.7176.4-65.4-174.517400111.6N38 K44 K45N38-E41 PolarHBondContact ND2-OE2 3.23Å; N38-E41 VanDerWaalsContact OD1-CB 3.32Å; N38-E41 WeakPolarHBondContact OD1-CB 3.47Å; N38-E41 WeakPolarHBondContact OD1-CG 3.39Å; E41-K44 PolarHBondContact O-N 3.49Å; E41-K45 WeakPolarHBondContact O-CB 3.23Å; E41-K45 VanDerWaalsContact O-CG 3.31Å; E41-K45 WeakPolarHBondContact O-CG 3.42Å; E41-K45 PolarHBondContact O-N 3.43Å
42A84.2Confident84.6Confident0 Ų077.9 Ų77.90%038%0.381CS..Hα-helixtrans-61.8-46.7175.800000111.7W30 N35 N38 K39 K45 F46W30-A42 HydrophobicContact CE3-CB 4.15Å; W30-A42 WeakPolarHBondContact O-CB 3.48Å; N35-A42 HydrophobicContact CB-CB 3.99Å; N38-A42 VanDerWaalsContact O-CB 3.27Å; N38-A42 WeakPolarHBondContact O-CB 3.38Å; N38-A42 PolarHBondContact O-N 2.88Å; K39-A42 PolarHBondContact O-N 3.1Å; A42-K45 PolarHBondContact O-N 3.2Å; A42-F46 WeakPolarHBondContact O-CB 3.49Å; A42-F46 PolarHBondContact O-N 3.48Å
43E85.3Confident85Confident121 Ų12175.9 Ų75.957%0.56537%0.368SS*.Hα-helixtrans-63-44.4176.8-173.8178.5164.500111.7K39 K45 F46 K47K39-E43 VanDerWaalsContact O-CB 3.32Å; K39-E43 WeakPolarHBondContact O-CB 3.36Å; K39-E43 PolarHBondContact O-N 3.28Å; E43-K45 PolarHBondContact O-N 3.1Å; E43-F46 PolarHBondContact O-N 3.39Å; E43-K47 WeakPolarHBondContact O-CB 3.35Å; E43-K47 PolarHBondContact O-N 2.93Å
44K86.9Confident85.3Confident140 Ų14071 Ų7161%0.60934%0.34SS*.Hα-helixtrans-59.3-47176.6-175.8-179.6176.8-177.70111.4E40 E41 K47 E48E40-K44 WeakPolarHBondContact O-CB 3.47Å; E40-K44 PolarHBondContact O-N 3.48Å; E41-K44 PolarHBondContact O-N 3.49Å; K44-K47 PolarHBondContact O-N 3.41Å; K44-E48 WeakPolarHBondContact CE-OE1 3.45Å; K44-E48 WeakPolarHBondContact O-CG 3.47Å; K44-E48 PolarHBondContact O-N 2.8Å
45K86.2Confident85.7Confident87 Ų8765.9 Ų65.938%0.37832%0.32SS..Hα-helixtrans-65.9-40.9177.4-74.3-69.7173.9-1620112.2W30 E41 A42 E43 K47 E48 L49W30-K45 HydrophobicContact CB-CB 4.21Å; W30-K45 HydrophobicContact CD2-CB 3.78Å; W30-K45 HydrophobicContact CD2-CG 4.04Å; W30-K45 HydrophobicContact CE3-CB 4.19Å; W30-K45 HydrophobicContact CE3-CG 4.26Å; W30-K45 HydrophobicContact CG-CB 3.81Å; W30-K45 HydrophobicContact CH2-CG 4.31Å; W30-K45 HydrophobicContact CZ2-CG 4.13Å; W30-K45 HydrophobicContact CZ3-CG 4.38Å; E41-K45 WeakPolarHBondContact O-CB 3.23Å; E41-K45 VanDerWaalsContact O-CG 3.31Å; E41-K45 WeakPolarHBondContact O-CG 3.42Å; E41-K45 PolarHBondContact O-N 3.43Å; A42-K45 PolarHBondContact O-N 3.2Å; E43-K45 PolarHBondContact O-N 3.1Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.02Å; K45-E48 IonicContact NZ-OE2 3.08Å; K45-E48 PolarHBondContact NZ-OE2 3.24Å; K45-E48 VanDerWaalsContact NZ-OE2 3.08Å; K45-E48 PolarHBondContact O-N 3.26Å; K45-L49 WeakPolarHBondContact O-CB 3.27Å; K45-L49 WeakPolarHBondContact O-CD1 3.33Å; K45-L49 WeakPolarHBondContact O-CG 3.44Å; K45-L49 PolarHBondContact O-N 2.85Å
46F86.5Confident86Confident7 Ų763.8 Ų63.83%0.03131%0.308CS..Hα-helixtrans-63-39.8177.9-171.7-111.1000111.8A27 A42 E43 L49 A50 P96 D97A27-F46 HydrophobicContact CB-CD2 4.46Å; A27-F46 HydrophobicContact CB-CE2 3.91Å; A42-F46 WeakPolarHBondContact O-CB 3.49Å; A42-F46 PolarHBondContact O-N 3.48Å; E43-F46 PolarHBondContact O-N 3.39Å; F46-L49 PolarHBondContact O-N 2.86Å; F46-A50 WeakPolarHBondContact O-CB 3.32Å; F46-A50 PolarHBondContact O-N 3.44Å; F46-P96 HydrophobicContact CD1-CB 3.64Å; F46-P96 HydrophobicContact CD1-CG 3.61Å; F46-P96 HydrophobicContact CE1-CB 3.48Å; F46-P96 VanDerWaalsContact CE1-CB 3.48Å; F46-P96 HydrophobicContact CE1-CG 3.65Å; F46-P96 HydrophobicContact CZ-CB 4.41Å; F46-D97 WeakPolarHBondContact CE1-OD1 3.35Å
47K86.8Confident86.3Confident109 Ų10960.2 Ų60.247%0.47429%0.285SS..Hα-helixtrans-63.8-47.9173.4-171.3175.6-177.2175.20112.2E43 K44 K45 L49 A50 E51 F93E43-K47 WeakPolarHBondContact O-CB 3.35Å; E43-K47 PolarHBondContact O-N 2.93Å; K44-K47 PolarHBondContact O-N 3.41Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.02Å; K47-L49 VanDerWaalsContact C-N 3.26Å; K47-L49 PolarHBondContact O-N 2.79Å; K47-A50 PolarHBondContact O-N 2.79Å; K47-E51 WeakPolarHBondContact O-CB 3.42Å; K47-E51 PolarHBondContact O-N 2.75Å; K47-F93 HydrophobicContact CD-CE1 4.43Å; K47-F93 HydrophobicContact CG-CE1 4.17Å
48E87.8Confident86.4Confident42 Ų4255.9 Ų55.920%0.19626%0.262CS..Hα-helixtrans-56.9-41.1175.2-73.1172.2-172.300111.4V7 K44 K45 A52V7-E48 HydrophobicContact CG1-CB 4.06Å; K44-E48 WeakPolarHBondContact CE-OE1 3.45Å; K44-E48 WeakPolarHBondContact O-CG 3.47Å; K44-E48 PolarHBondContact O-N 2.8Å; K45-E48 IonicContact NZ-OE2 3.08Å; K45-E48 PolarHBondContact NZ-OE2 3.24Å; K45-E48 VanDerWaalsContact NZ-OE2 3.08Å; K45-E48 PolarHBondContact O-N 3.26Å; E48-A52 WeakPolarHBondContact O-CB 3.49Å; E48-A52 PolarHBondContact O-N 2.77Å
49L89.1Confident86.4Confident4 Ų460.9 Ų60.92%0.02128%0.281CS..Hα-helixtrans-67.9-42.8178.8-71.9164.4000112.7V7 L8 Y23 L26 W30 K45 F46 K47 A52 Y53V7-L49 HydrophobicContact CG1-CD2 3.91Å; V7-L49 HydrophobicContact CG1-CG 4.29Å; L8-L49 HydrophobicContact CD2-CD2 3.87Å; Y23-L49 HydrophobicContact CD2-CB 4.06Å; Y23-L49 WeakPolarHBondContact CD2-O 3.34Å; Y23-L49 HydrophobicContact CE2-CB 3.94Å; Y23-L49 WeakPolarHBondContact CE2-O 3.49Å; L26-L49 HydrophobicContact CB-CD1 3.62Å; L26-L49 HydrophobicContact CB-CD2 3.61Å; L26-L49 HydrophobicContact CB-CG 4.28Å; L26-L49 HydrophobicContact CD1-CD2 3.55Å; L26-L49 HydrophobicContact CG-CD2 4.16Å; W30-L49 HydrophobicContact CB-CD1 4.41Å; W30-L49 HydrophobicContact CG-CD1 4.46Å; K45-L49 WeakPolarHBondContact O-CB 3.27Å; K45-L49 WeakPolarHBondContact O-CD1 3.33Å; K45-L49 WeakPolarHBondContact O-CG 3.44Å; K45-L49 PolarHBondContact O-N 2.85Å; F46-L49 PolarHBondContact O-N 2.86Å; K47-L49 VanDerWaalsContact C-N 3.26Å; K47-L49 PolarHBondContact O-N 2.79Å; L49-A52 PolarHBondContact O-N 2.81Å; L49-Y53 VanDerWaalsContact O-CB 3.29Å; L49-Y53 WeakPolarHBondContact O-CB 3.48Å; L49-Y53 PolarHBondContact O-N 2.88Å
50A86.9Confident86.3Confident6 Ų659.2 Ų59.25%0.0529%0.285CS..Hα-helixtrans-64.5-44.3178.600000111.1Y23 F46 K47 Y53 E54 P96Y23-A50 HydrophobicContact CE2-CB 4.46Å; F46-A50 WeakPolarHBondContact O-CB 3.32Å; F46-A50 PolarHBondContact O-N 3.44Å; K47-A50 PolarHBondContact O-N 2.79Å; A50-Y53 PolarHBondContact O-N 3.08Å; A50-E54 WeakPolarHBondContact O-CB 3.41Å; A50-E54 PolarHBondContact O-N 2.86Å; A50-P96 HydrophobicContact CB-CB 3.49Å; A50-P96 VanDerWaalsContact CB-CB 3.49Å
51E86.3Confident86.1Confident51 Ų5152.9 Ų52.924%0.23825%0.254CS..Hα-helixtrans-60.8-48.4176-173-173.8151.700111.5Y4 K47 Y53 E54 V55 F91 F93Y4-E51 HydrophobicContact CE1-CG 3.96Å; Y4-E51 WeakPolarHBondContact CE1-OE1 3.26Å; Y4-E51 PolarHBondContact OH-OE1 2.87Å; K47-E51 WeakPolarHBondContact O-CB 3.42Å; K47-E51 PolarHBondContact O-N 2.75Å; E51-Y53 VanDerWaalsContact C-N 3.28Å; E51-Y53 PolarHBondContact O-N 2.79Å; E51-E54 PolarHBondContact O-N 3.25Å; E51-V55 WeakPolarHBondContact O-CG2 3.42Å; E51-V55 PolarHBondContact O-N 3.16Å; E51-F91 HydrophobicContact CG-CZ 4.15Å; E51-F93 HydrophobicContact CG-CZ 4.26Å
52A88.8Confident86.1Confident0 Ų049.1 Ų49.10%024%0.235CC..Hα-helixtrans-58.1-42.5177.400000112Y4 V7 L8 E48 L49 L56Y4-A52 HydrophobicContact CD1-CB 3.67Å; Y4-A52 HydrophobicContact CG-CB 4.01Å; V7-A52 HydrophobicContact CB-CB 4.25Å; V7-A52 HydrophobicContact CG1-CB 4.05Å; L8-A52 HydrophobicContact CD1-CB 4.09Å; L8-A52 HydrophobicContact CG-CB 3.94Å; E48-A52 WeakPolarHBondContact O-CB 3.49Å; E48-A52 PolarHBondContact O-N 2.77Å; L49-A52 PolarHBondContact O-N 2.81Å; A52-L56 VanDerWaalsContact O-CB 3.27Å; A52-L56 WeakPolarHBondContact O-CB 3.06Å; A52-L56 VanDerWaalsContact O-CG 3.28Å; A52-L56 WeakPolarHBondContact O-CG 3.43Å; A52-L56 PolarHBondContact O-N 3.16Å
53Y88.6Confident86Confident0 Ų050.4 Ų50.40%025%0.249CC..Hα-helixtrans-69.6-40.7179.8-179-106000112.6I19 K20 Y23 L49 A50 E51 V55 L56 S57 F103I19-Y53 HydrophobicContact CG2-CD2 3.91Å; I19-Y53 HydrophobicContact CG2-CE2 4.2Å; K20-Y53 HydrophobicContact CB-CE2 4.38Å; K20-Y53 HydrophobicContact CG-CE2 3.82Å; K20-Y53 WeakPolarHBondContact CG-OH 3.28Å; Y23-Y53 AromaticContact CD1-CD1 3.61Å; Y23-Y53 HydrophobicContact CD1-CD1 3.61Å; Y23-Y53 AromaticContact CD1-CD2 3.68Å; Y23-Y53 HydrophobicContact CD1-CD2 3.68Å; Y23-Y53 AromaticContact CD1-CE1 3.88Å; Y23-Y53 HydrophobicContact CD1-CE1 3.88Å; Y23-Y53 AromaticContact CD1-CE2 3.97Å; Y23-Y53 HydrophobicContact CD1-CE2 3.97Å; Y23-Y53 AromaticContact CD1-CG 3.47Å; Y23-Y53 HydrophobicContact CD1-CG 3.47Å; Y23-Y53 VanDerWaalsContact CD1-CG 3.47Å; Y23-Y53 HydrophobicContact CD2-CD2 4.41Å; Y23-Y53 AromaticContact CD2-CG 3.99Å; Y23-Y53 HydrophobicContact CD2-CG 3.99Å; Y23-Y53 AromaticContact CE1-CD1 3.62Å; Y23-Y53 HydrophobicContact CE1-CD1 3.62Å; Y23-Y53 AromaticContact CE1-CE1 3.99Å; Y23-Y53 HydrophobicContact CE1-CE1 3.99Å; Y23-Y53 AromaticContact CE1-CG 3.88Å; Y23-Y53 HydrophobicContact CE1-CG 3.88Å; Y23-Y53 HydrophobicContact CE2-CG 4.39Å; Y23-Y53 HydrophobicContact CG-CD1 4.15Å; Y23-Y53 AromaticContact CG-CD2 3.62Å; Y23-Y53 HydrophobicContact CG-CD2 3.62Å; Y23-Y53 HydrophobicContact CG-CE2 4.27Å; Y23-Y53 AromaticContact CG-CG 3.53Å; Y23-Y53 HydrophobicContact CG-CG 3.53Å; L49-Y53 VanDerWaalsContact O-CB 3.29Å; L49-Y53 WeakPolarHBondContact O-CB 3.48Å; L49-Y53 PolarHBondContact O-N 2.88Å; A50-Y53 PolarHBondContact O-N 3.08Å; E51-Y53 VanDerWaalsContact C-N 3.28Å; E51-Y53 PolarHBondContact O-N 2.79Å; Y53-V55 VanDerWaalsContact C-N 3.26Å; Y53-V55 PolarHBondContact O-N 2.81Å; Y53-L56 PolarHBondContact O-N 2.94Å; Y53-S57 WeakPolarHBondContact O-CA 3.07Å; Y53-S57 WeakPolarHBondContact O-CB 3.38Å; Y53-S57 PolarHBondContact O-N 3.01Å; Y53-S57 PolarHBondContact O-OG 3.18Å; Y53-F103 HydrophobicContact CE1-CB 4.22Å; Y53-F103 AromaticContact CE1-CD1 3.78Å; Y53-F103 HydrophobicContact CE1-CD1 3.78Å; Y53-F103 AromaticContact CE1-CD2 3.87Å; Y53-F103 HydrophobicContact CE1-CD2 3.87Å; Y53-F103 HydrophobicContact CE1-CE1 4.13Å; Y53-F103 HydrophobicContact CE1-CE2 4.16Å; Y53-F103 AromaticContact CE1-CG 3.66Å; Y53-F103 HydrophobicContact CE1-CG 3.66Å; Y53-F103 HydrophobicContact CE1-CZ 4.28Å; Y53-F103 AromaticContact CZ-CD1 3.77Å; Y53-F103 AromaticContact CZ-CE1 3.77Å; Y53-F103 WeakPolarHBondContact OH-CD1 3.43Å; Y53-F103 WeakPolarHBondContact OH-CE1 3.31Å; Y53-F103 WeakPolarHBondContact OH-CZ 3.16Å
54E85.5Confident85.8Confident33 Ų3346 Ų4615%0.15423%0.232CC..Hα-helixtrans-59.9-38.6178-156.9-162.8137.500111.9A50 E51 R61 F91A50-E54 WeakPolarHBondContact O-CB 3.41Å; A50-E54 PolarHBondContact O-N 2.86Å; E51-E54 PolarHBondContact O-N 3.25Å; E54-R61 PolarHBondContact O-NE 2.82Å; E54-R61 IonicContact OE1-CZ 3.8Å; E54-R61 VanDerWaalsContact OE1-CZ 3.23Å; E54-R61 IonicContact OE1-NH1 3.11Å; E54-R61 PolarHBondContact OE1-NH1 2.7Å; E54-R61 IonicContact OE1-NH2 3.27Å; E54-R61 PolarHBondContact OE1-NH2 3.02Å; E54-F91 WeakPolarHBondContact OE1-CE2 3.26Å; E54-F91 WeakPolarHBondContact OE2-CZ 3.24Å
55V86.2Confident85.6Confident15 Ų1541 Ų419%0.09121%0.21CC..Hα-helixtrans-77.2-43178.1177.60000111.9Y4 E51 Y53 R61 R62 Y65 F91Y4-V55 HydrophobicContact CD2-CB 4.11Å; Y4-V55 HydrophobicContact CD2-CG1 3.97Å; Y4-V55 HydrophobicContact CD2-CG2 4.45Å; Y4-V55 HydrophobicContact CE2-CB 4.08Å; Y4-V55 HydrophobicContact CE2-CG1 3.97Å; Y4-V55 HydrophobicContact CE2-CG2 3.94Å; E51-V55 WeakPolarHBondContact O-CG2 3.42Å; E51-V55 PolarHBondContact O-N 3.16Å; Y53-V55 VanDerWaalsContact C-N 3.26Å; Y53-V55 PolarHBondContact O-N 2.81Å; V55-R61 CarbonylContact O-C 3.51Å; V55-R61 VanDerWaalsContact O-CB 3.26Å; V55-R61 WeakPolarHBondContact O-CB 3.49Å; V55-R62 PolarHBondContact O-N 2.75Å; V55-R62 VanDerWaalsContact O-N 3.12Å; V55-Y65 HydrophobicContact CG1-CD2 4.12Å; V55-Y65 HydrophobicContact CG1-CG 3.92Å; V55-F91 HydrophobicContact CG2-CE2 4.33Å
56L86.7Confident85.4Confident0 Ų040.5 Ų40.50%021%0.211CC..Hα-helixtrans-85.4-23.2-172.5-67177.9000114.3Y5 L8 Q16 I19 A52 Y53 R62 Y65Y5-L56 HydrophobicContact CD1-CD1 4.01Å; Y5-L56 HydrophobicContact CD1-CD2 4.36Å; Y5-L56 HydrophobicContact CD2-CD2 4.49Å; Y5-L56 HydrophobicContact CE1-CD1 4.14Å; Y5-L56 HydrophobicContact CE1-CD2 3.74Å; Y5-L56 HydrophobicContact CE2-CD2 3.91Å; Y5-L56 HydrophobicContact CG-CD1 4.3Å; Y5-L56 VanDerWaalsContact CZ-CD2 3.5Å; L8-L56 HydrophobicContact CD1-CD1 3.77Å; Q16-L56 PolarHBondContact NE2-O 3.4Å; Q16-L56 PolarHBondContact OE1-O 3.45Å; Q16-L56 VanDerWaalsContact OE1-O 3.05Å; I19-L56 HydrophobicContact CD1-CB 4.21Å; I19-L56 HydrophobicContact CG2-CB 4.07Å; A52-L56 VanDerWaalsContact O-CB 3.27Å; A52-L56 WeakPolarHBondContact O-CB 3.06Å; A52-L56 VanDerWaalsContact O-CG 3.28Å; A52-L56 WeakPolarHBondContact O-CG 3.43Å; A52-L56 PolarHBondContact O-N 3.16Å; Y53-L56 PolarHBondContact O-N 2.94Å; L56-R62 HydrophobicContact CD2-CG 4.05Å; L56-Y65 HydrophobicContact CD2-CD1 4.18Å
57S84.3Confident84.9Confident18 Ų1849.4 Ų49.413%0.12625%0.245CC..SBendtrans-70.6-28.1-177.261.70000114Q16 Y53Q16-S57 VanDerWaalsContact OE1-CA 3.27Å; Q16-S57 PolarHBondContact OE1-O 3.04Å; Y53-S57 WeakPolarHBondContact O-CA 3.07Å; Y53-S57 WeakPolarHBondContact O-CB 3.38Å; Y53-S57 PolarHBondContact O-N 3.01Å; Y53-S57 PolarHBondContact O-OG 3.18Å
58D85.2Confident84.1Confident73 Ų7351.8 Ų51.839%0.3925%0.252SS..SBendtrans-99.2128.9177.5-175.8-43.6000110.1S60 R61 R62D58-S60 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.4Å; D58-S60 WeakPolarHBondContact OD1-CA 3.11Å; D58-S60 WeakPolarHBondContact OD1-CB 3.26Å; D58-S60 PolarHBondContact OD1-N 3.27Å; D58-R61 HydrophobicContact CB-CB 3.95Å; D58-R61 HydrophobicContact CB-CG 3.61Å; D58-R61 PolarHBondContact O-N 2.97Å; D58-R61 PolarHBondContact OD1-N 3.01Å; D58-R62 VanDerWaalsContact O-CB 3.25Å; D58-R62 WeakPolarHBondContact O-CB 3.38Å; D58-R62 PolarHBondContact O-N 3.33Å
59K85.6Confident82.9Confident169 Ų16950.7 Ų50.774%0.73525%0.252SS*.Hα-helixtrans-62-35.9-178.8-65.7178.3-179.3176.60112.9G63K59-G63 PolarHBondContact O-N 3.44Å
60S82.9Confident81.2Confident89 Ų8954.6 Ų54.662%0.62227%0.273SS*.Hα-helixtrans-66.9-47176.3-172.40000110.5D58 G63 A64D58-S60 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.4Å; D58-S60 WeakPolarHBondContact OD1-CA 3.11Å; D58-S60 WeakPolarHBondContact OD1-CB 3.26Å; D58-S60 PolarHBondContact OD1-N 3.27Å; S60-G63 PolarHBondContact O-N 3.45Å; S60-A64 PolarHBondContact O-N 3.27Å
61R82.4Confident79.5Confident36 Ų3660 Ų6014%0.13630%0.301CS..Hα-helixtrans-67.5-42.6-179.7-55.3-169.455164.3-5112.3E54 V55 D58 G63 A64 Y65 F89E54-R61 PolarHBondContact O-NE 2.82Å; E54-R61 IonicContact OE1-CZ 3.8Å; E54-R61 VanDerWaalsContact OE1-CZ 3.23Å; E54-R61 IonicContact OE1-NH1 3.11Å; E54-R61 PolarHBondContact OE1-NH1 2.7Å; E54-R61 IonicContact OE1-NH2 3.27Å; E54-R61 PolarHBondContact OE1-NH2 3.02Å; V55-R61 CarbonylContact O-C 3.51Å; V55-R61 VanDerWaalsContact O-CB 3.26Å; V55-R61 WeakPolarHBondContact O-CB 3.49Å; D58-R61 HydrophobicContact CB-CB 3.95Å; D58-R61 HydrophobicContact CB-CG 3.61Å; D58-R61 PolarHBondContact O-N 2.97Å; D58-R61 PolarHBondContact OD1-N 3.01Å; R61-G63 VanDerWaalsContact C-N 3.33Å; R61-G63 PolarHBondContact O-N 3.4Å; R61-A64 WeakPolarHBondContact O-CB 3.47Å; R61-A64 PolarHBondContact O-N 2.67Å; R61-Y65 PolarHBondContact O-N 3.08Å; R61-F89 HydrophobicContact CB-CZ 4.24Å; R61-F89 HydrophobicContact CG-CE2 3.68Å; R61-F89 HydrophobicContact CG-CZ 3.45Å; R61-F89 VanDerWaalsContact CG-CZ 3.45Å
62R86.1Confident77.6Confident31 Ų3164.1 Ų64.112%0.11733%0.325CS..Hα-helixtrans-61-42.5172.2-177.7173.6177.3-178.7-0.7111.3Y5 R12 A14 I19 V55 L56 D58 A64 Y65 D66Y5-R62 PolarHBondContact OH-NE 3.3Å; R12-R62 PolarHBondContact O-NH2 3.3Å; A14-R62 PolarHBondContact O-NH1 3.06Å; A14-R62 PolarHBondContact O-NH2 2.85Å; I19-R62 VanDerWaalsContact CD1-NH1 3.3Å; V55-R62 PolarHBondContact O-N 2.75Å; V55-R62 VanDerWaalsContact O-N 3.12Å; L56-R62 HydrophobicContact CD2-CG 4.05Å; D58-R62 VanDerWaalsContact O-CB 3.25Å; D58-R62 WeakPolarHBondContact O-CB 3.38Å; D58-R62 PolarHBondContact O-N 3.33Å; R62-A64 VanDerWaalsContact C-N 3.33Å; R62-A64 PolarHBondContact O-N 3.31Å; R62-Y65 PolarHBondContact O-N 3.45Å; R62-D66 IonicContact NE-OD2 2.67Å; R62-D66 WeakPolarHBondContact O-CB 3.29Å; R62-D66 VanDerWaalsContact O-CG 3.23Å; R62-D66 PolarHBondContact O-N 3.46Å
63G82.3Confident75.5Confident28 Ų2870.1 Ų70.129%0.28936%0.361SS..Hα-helixtrans-61.5-39.5174.600000112.7K59 S60 R61 R67K59-G63 PolarHBondContact O-N 3.44Å; S60-G63 PolarHBondContact O-N 3.45Å; R61-G63 VanDerWaalsContact C-N 3.33Å; R61-G63 PolarHBondContact O-N 3.4Å; G63-R67 VanDerWaalsContact O-CB 3.23Å; G63-R67 WeakPolarHBondContact O-CB 3.46Å; G63-R67 WeakPolarHBondContact O-CD 3.37Å; G63-R67 WeakPolarHBondContact O-CG 3.32Å; G63-R67 PolarHBondContact O-N 3.43Å
64A81.4Confident73.2Confident27 Ų2775.6 Ų75.622%0.22340%0.396CS..Hα-helixtrans-65.2-46.6172.500000111.3S60 R61 R62 D66 R67 Y68S60-A64 PolarHBondContact O-N 3.27Å; R61-A64 WeakPolarHBondContact O-CB 3.47Å; R61-A64 PolarHBondContact O-N 2.67Å; R62-A64 VanDerWaalsContact C-N 3.33Å; R62-A64 PolarHBondContact O-N 3.31Å; A64-D66 PolarHBondContact O-N 3.3Å; A64-R67 PolarHBondContact O-N 3.02Å; A64-Y68 HydrophobicContact CB-CD2 4.29Å; A64-Y68 WeakPolarHBondContact O-CB 3.29Å; A64-Y68 WeakPolarHBondContact O-CD2 3.43Å; A64-Y68 PolarHBondContact O-N 3.43Å
65Y81.4Confident71.5Confident37 Ų3783.3 Ų83.315%0.14543%0.432CS..Hα-helixtrans-60.5-44.2177.1-178.5-105.4000112.8V2 Y4 Y5 V55 L56 R61 R62 R67 G69V2-Y65 PolarHBondContact O-OH 3.08Å; Y4-Y65 HydrophobicContact CD2-CD1 4.28Å; Y4-Y65 AromaticContact CD2-CD2 3.65Å; Y4-Y65 HydrophobicContact CD2-CD2 3.65Å; Y4-Y65 AromaticContact CD2-CE1 3.87Å; Y4-Y65 HydrophobicContact CD2-CE1 3.87Å; Y4-Y65 AromaticContact CD2-CE2 3.18Å; Y4-Y65 HydrophobicContact CD2-CE2 3.18Å; Y4-Y65 HydrophobicContact CD2-CG 4.16Å; Y4-Y65 AromaticContact CD2-CZ 3.29Å; Y4-Y65 AromaticContact CE2-CD2 3.61Å; Y4-Y65 HydrophobicContact CE2-CD2 3.61Å; Y4-Y65 AromaticContact CE2-CE2 3.25Å; Y4-Y65 HydrophobicContact CE2-CE2 3.25Å; Y4-Y65 HydrophobicContact CE2-CG 4.47Å; Y4-Y65 AromaticContact CE2-CZ 3.87Å; Y4-Y65 HydrophobicContact CG-CE2 4.27Å; Y4-Y65 PolarHBondContact N-OH 2.8Å; Y5-Y65 HydrophobicContact CD2-CE1 4.05Å; Y5-Y65 HydrophobicContact CE2-CD1 4.04Å; Y5-Y65 AromaticContact CE2-CE1 3.77Å; Y5-Y65 HydrophobicContact CE2-CE1 3.77Å; V55-Y65 HydrophobicContact CG1-CD2 4.12Å; V55-Y65 HydrophobicContact CG1-CG 3.92Å; L56-Y65 HydrophobicContact CD2-CD1 4.18Å; R61-Y65 PolarHBondContact O-N 3.08Å; R62-Y65 PolarHBondContact O-N 3.45Å; Y65-R67 VanDerWaalsContact C-N 3.31Å; Y65-R67 PolarHBondContact O-N 3.48Å; Y65-G69 WeakPolarHBondContact O-CA 3.44Å; Y65-G69 PolarHBondContact O-N 3.42Å
66D82.8Confident69.1Low75 Ų7588.1 Ų88.140%0.40147%0.467SS..Hα-helixtrans-68.9-30.6179.3-67.5-19.2000111.7Y5 R62 A64Y5-D66 WeakPolarHBondContact CE2-OD1 3.29Å; Y5-D66 PolarHBondContact OH-OD1 2.76Å; Y5-D66 PolarHBondContact OH-OD2 2.8Å; R62-D66 IonicContact NE-OD2 2.67Å; R62-D66 WeakPolarHBondContact O-CB 3.29Å; R62-D66 VanDerWaalsContact O-CG 3.23Å; R62-D66 PolarHBondContact O-N 3.46Å; A64-D66 PolarHBondContact O-N 3.3Å
67R76.2Confident67.1Low194 Ų19491.9 Ų91.973%0.73251%0.505SS*.Hα-helixtrans-81.1-35.6178.7-73.8174.169.2-164.5-0.6114.2G63 A64 Y65G63-R67 VanDerWaalsContact O-CB 3.23Å; G63-R67 WeakPolarHBondContact O-CB 3.46Å; G63-R67 WeakPolarHBondContact O-CD 3.37Å; G63-R67 WeakPolarHBondContact O-CG 3.32Å; G63-R67 PolarHBondContact O-N 3.43Å; A64-R67 PolarHBondContact O-N 3.02Å; Y65-R67 VanDerWaalsContact C-N 3.31Å; Y65-R67 PolarHBondContact O-N 3.48Å
68Y70.1Confident64.8Low159 Ų15995.8 Ų95.862%0.62453%0.532SS*.Hα-helixtrans-107.2-18.5-174.4-66.4-74.8000113.4A64A64-Y68 HydrophobicContact CB-CD2 4.29Å; A64-Y68 WeakPolarHBondContact O-CB 3.29Å; A64-Y68 WeakPolarHBondContact O-CD2 3.43Å; A64-Y68 PolarHBondContact O-N 3.43Å
69G61.2Low62.8Low19 Ų1997.9 Ų97.920%0.19655%0.548CS..SBendtrans-105-5.7-164.900000116.3Y65Y65-G69 WeakPolarHBondContact O-CA 3.44Å; Y65-G69 PolarHBondContact O-N 3.42Å
70N53.8Low61Low86 Ų8695.1 Ų95.146%0.4655%0.546SS..SBendtrans-113.3-12.1-178.4-158.675.3000115R12R12-N70 VanDerWaalsContact CZ-OD1 3.23Å; R12-N70 VanDerWaalsContact NH1-CG 3.31Å; R12-N70 PolarHBondContact NH1-ND2 3.42Å; R12-N70 PolarHBondContact NH1-OD1 3.42Å; R12-N70 PolarHBondContact NH2-OD1 3.07Å
71D52.8Low59.4Low121 Ų12195.7 Ų95.765%0.64755%0.545SS*.SBendtrans-147.4111.8-178.5-121.4-91.1000110.3
72N45.8Very low57.3Low136 Ų136100.4 Ų100.473%0.72757%0.573SS**  trans73.879.2162-48.5-71.8000119.8
73V43.9Very low55.3Low127 Ų127104.6 Ų104.677%0.7759%0.593SS**  trans-130.7109.6139.5-160.90000108.8
74P40.2Very low53.5Low114 Ų114106.8 Ų106.874%0.7460%0.603SS**  trans-72.8134.4179.229.1-31.5000110.8S76P74-S76 PolarHBondContact O-N 2.92Å
75H49.6Very low51.4Low196 Ų196112.1 Ų112.191%0.90763%0.628SS**  trans4.295.4151.8-14181.3000116.6
76S37.5Very low49.4Very low116 Ų116115.7 Ų115.781%0.81165%0.649SS**  trans-144.1120149.9-166.90000107.9P74 S78P74-S76 PolarHBondContact O-N 2.92Å; S76-S78 PolarHBondContact O-N 2.99Å
77G43.1Very low47Very low78 Ų78118.5 Ų118.580%0.80467%0.671SS**  trans-56.6125.7-177.900000111
78S37.1Very low45.2Very low100 Ų100113 Ų11370%0.69968%0.675SS**  trans-150.997.1155.9-158.40000108.8S76 T80S76-S78 PolarHBondContact O-N 2.99Å; S78-T80 PolarHBondContact O-N 2.93Å
79T41.8Very low43.9Very low118 Ų118107.7 Ų107.772%0.72466%0.655SS**  trans-23.6119.1143.5-53.40000111.1
80T48.1Very low42.8Very low111 Ų111111.9 Ų111.968%0.68168%0.677SS**SBendtrans56.1127.815766.70000116.6S78S78-T80 PolarHBondContact O-N 2.93Å
81T49.2Very low42.5Very low100 Ų100109.5 Ų109.561%0.61366%0.663SS**  trans82.594.1166.9-230000113.8
82D39.8Very low42.4Very low136 Ų136107.1 Ų107.173%0.72765%0.653SS**  trans-168.150.6146.8-106.6-45000112.8
83F42.4Very low42.8Very low119 Ų119106.2 Ų106.252%0.52264%0.643SS.*SBendtrans-119.711.8153-122.9-81000110.7F89 F91F83-F89 AromaticContact CD1-CD1 3.67Å; F83-F89 HydrophobicContact CD1-CD1 3.67Å; F83-F89 AromaticContact CD1-CE1 3.7Å; F83-F89 HydrophobicContact CD1-CE1 3.7Å; F83-F89 AromaticContact CE1-CD1 3.87Å; F83-F89 HydrophobicContact CE1-CD1 3.87Å; F83-F89 AromaticContact CE1-CE1 3.58Å; F83-F89 HydrophobicContact CE1-CE1 3.58Å; F83-F89 HydrophobicContact CE1-CZ 4.34Å; F83-F89 VanDerWaalsContact O-O 3.07Å; F83-F91 HydrophobicContact CB-CB 4.36Å
84S44.8Very low43.7Very low74 Ų74105.8 Ų105.852%0.51763%0.627SS.*SBendtrans-94.5-8.2-173.4-54.20000113.5
85D38.3Very low45Very low139 Ų139105.4 Ų105.474%0.74362%0.619SS**  trans-98.77.6-172.9-147.432.3000113.7P87D85-P87 WeakPolarHBondContact O-CD 3.45Å
86L39.8Very low45.9Very low112 Ų11297.2 Ų97.259%0.58658%0.583SS**SBendtrans-88.1115166.4-130.686.8000109G88 F89L86-G88 PolarHBondContact O-N 3.19Å; L86-F89 HydrophobicContact CB-CB 3.76Å; L86-F89 HydrophobicContact CD2-CB 4.06Å; L86-F89 PolarHBondContact O-N 2.94Å
87P32Very low47.3Very low133 Ų13395.1 Ų95.186%0.86456%0.563SS**THydrogen-bonded Turntrans-63.4107.4176.725-31.9000109.3D85D85-P87 WeakPolarHBondContact O-CD 3.45Å
88G38.6Very low48.6Very low79 Ų7994.7 Ų94.781%0.81454%0.54SS*.THydrogen-bonded Turntrans108.80.4-177.700000115.7L86L86-G88 PolarHBondContact O-N 3.19Å
89F41.9Very low50.3Low48 Ų4890.7 Ų90.721%0.21151%0.511CS..  trans-123.262.3177.4-150.4-87.8000110.6R61 F83 L86 F91R61-F89 HydrophobicContact CB-CZ 4.24Å; R61-F89 HydrophobicContact CG-CE2 3.68Å; R61-F89 HydrophobicContact CG-CZ 3.45Å; R61-F89 VanDerWaalsContact CG-CZ 3.45Å; F83-F89 AromaticContact CD1-CD1 3.67Å; F83-F89 HydrophobicContact CD1-CD1 3.67Å; F83-F89 AromaticContact CD1-CE1 3.7Å; F83-F89 HydrophobicContact CD1-CE1 3.7Å; F83-F89 AromaticContact CE1-CD1 3.87Å; F83-F89 HydrophobicContact CE1-CD1 3.87Å; F83-F89 AromaticContact CE1-CE1 3.58Å; F83-F89 HydrophobicContact CE1-CE1 3.58Å; F83-F89 HydrophobicContact CE1-CZ 4.34Å; F83-F89 VanDerWaalsContact O-O 3.07Å; L86-F89 HydrophobicContact CB-CB 3.76Å; L86-F89 HydrophobicContact CD2-CB 4.06Å; L86-F89 PolarHBondContact O-N 2.94Å; F89-F91 PolarHBondContact O-N 3.43Å
90T38.7Very low51.6Low107 Ų10786.1 Ų86.166%0.65648%0.482SS*.  trans-74.199.3176.463.30000109T92T90-T92 PolarHBondContact O-N 3.09Å
91F47.7Very low52.9Low35 Ų3589.3 Ų89.315%0.15448%0.481CS..  trans-71.873.6165.5-159.7-74.8000108.1E51 E54 V55 F83 F89 F93E51-F91 HydrophobicContact CG-CZ 4.15Å; E54-F91 WeakPolarHBondContact OE1-CE2 3.26Å; E54-F91 WeakPolarHBondContact OE2-CZ 3.24Å; V55-F91 HydrophobicContact CG2-CE2 4.33Å; F83-F91 HydrophobicContact CB-CB 4.36Å; F89-F91 PolarHBondContact O-N 3.43Å; F91-F93 AromaticContact CD1-CD2 3.69Å; F91-F93 HydrophobicContact CD1-CD2 3.69Å; F91-F93 HydrophobicContact CD1-CE2 4.09Å; F91-F93 HydrophobicContact CD1-CG 4.34Å; F91-F93 HydrophobicContact CE1-CD1 4.42Å; F91-F93 AromaticContact CE1-CD2 3.37Å; F91-F93 HydrophobicContact CE1-CD2 3.37Å; F91-F93 HydrophobicContact CE1-CE1 4.48Å; F91-F93 AromaticContact CE1-CE2 3.45Å; F91-F93 HydrophobicContact CE1-CE2 3.45Å; F91-F93 VanDerWaalsContact CE1-CE2 3.45Å; F91-F93 AromaticContact CE1-CG 3.89Å; F91-F93 HydrophobicContact CE1-CG 3.89Å; F91-F93 HydrophobicContact CE1-CZ 4.03Å; F91-F93 HydrophobicContact CZ-CE2 4.32Å; F91-F93 PolarHBondContact O-N 3.34Å; F91-F93 VanDerWaalsContact O-N 3.16Å
92T50.3Low54Low72 Ų7291.2 Ų91.244%0.44248%0.483SS..  trans-66.8111.6160.938.70000105.7T90 R94T90-T92 PolarHBondContact O-N 3.09Å; T92-R94 WeakPolarHBondContact O-CG 3.06Å; T92-R94 PolarHBondContact O-N 3.01Å
93F54.3Low55.3Low116 Ų11688.9 Ų88.951%0.50947%0.467SS..  trans-58.584.1166-116.6-81000107.2K47 E51 F91K47-F93 HydrophobicContact CD-CE1 4.43Å; K47-F93 HydrophobicContact CG-CE1 4.17Å; E51-F93 HydrophobicContact CG-CZ 4.26Å; F91-F93 AromaticContact CD1-CD2 3.69Å; F91-F93 HydrophobicContact CD1-CD2 3.69Å; F91-F93 HydrophobicContact CD1-CE2 4.09Å; F91-F93 HydrophobicContact CD1-CG 4.34Å; F91-F93 HydrophobicContact CE1-CD1 4.42Å; F91-F93 AromaticContact CE1-CD2 3.37Å; F91-F93 HydrophobicContact CE1-CD2 3.37Å; F91-F93 HydrophobicContact CE1-CE1 4.48Å; F91-F93 AromaticContact CE1-CE2 3.45Å; F91-F93 HydrophobicContact CE1-CE2 3.45Å; F91-F93 VanDerWaalsContact CE1-CE2 3.45Å; F91-F93 AromaticContact CE1-CG 3.89Å; F91-F93 HydrophobicContact CE1-CG 3.89Å; F91-F93 HydrophobicContact CE1-CZ 4.03Å; F91-F93 HydrophobicContact CZ-CE2 4.32Å; F91-F93 PolarHBondContact O-N 3.34Å; F91-F93 VanDerWaalsContact O-N 3.16Å
94R62Low56.6Low119 Ų11984.4 Ų84.445%0.44945%0.447SS..  trans-67.7155.9175.3-72-78.5-179.4167.81107.4T92 E98 V99T92-R94 WeakPolarHBondContact O-CG 3.06Å; T92-R94 PolarHBondContact O-N 3.01Å; R94-E98 IonicContact CZ-OE1 2.71Å; R94-E98 IonicContact NH1-OE1 3.97Å; R94-E98 PolarHBondContact NH1-OE1 3.32Å; R94-V99 HydrophobicContact CB-CG2 3.62Å
95N67.4Low57.4Low105 Ų10584 Ų8456%0.56145%0.454SS*.  trans-55.4133.3171.6-85.3-72.7000108.1D97 E98 V99N95-D97 PolarHBondContact O-N 3.37Å; N95-D97 VanDerWaalsContact O-N 3.12Å; N95-E98 HydrophobicContact CB-CB 4.02Å; N95-E98 WeakPolarHBondContact O-CA 2.96Å; N95-E98 VanDerWaalsContact O-CB 3.27Å; N95-E98 WeakPolarHBondContact O-CB 3.23Å; N95-E98 PolarHBondContact O-N 3.22Å; N95-V99 PolarHBondContact O-N 3.18Å
96P69.1Low58.3Low25 Ų2580.4 Ų80.416%0.16245%0.45CS..Hα-helixtrans-59-28.7-178.825.5-34.8000111.2F46 A50 F100F46-P96 HydrophobicContact CD1-CB 3.64Å; F46-P96 HydrophobicContact CD1-CG 3.61Å; F46-P96 HydrophobicContact CE1-CB 3.48Å; F46-P96 VanDerWaalsContact CE1-CB 3.48Å; F46-P96 HydrophobicContact CE1-CG 3.65Å; F46-P96 HydrophobicContact CZ-CB 4.41Å; A50-P96 HydrophobicContact CB-CB 3.49Å; A50-P96 VanDerWaalsContact CB-CB 3.49Å; P96-F100 VanDerWaalsContact O-CB 3.29Å; P96-F100 WeakPolarHBondContact O-CB 3.37Å; P96-F100 PolarHBondContact O-N 3.47Å
97D67.5Low59.2Low71 Ų7182 Ų8238%0.3845%0.454SS..Hα-helixtrans-65.8-34.9170.2-61.9-51.8000113.6F46 N95 R101F46-D97 WeakPolarHBondContact CE1-OD1 3.35Å; N95-D97 PolarHBondContact O-N 3.37Å; N95-D97 VanDerWaalsContact O-N 3.12Å; D97-R101 VanDerWaalsContact O-CB 3.31Å; D97-R101 WeakPolarHBondContact O-CB 3.22Å; D97-R101 WeakPolarHBondContact O-CG 3.09Å; D97-R101 PolarHBondContact O-N 3.34Å
98E70.3Confident60.5Low70 Ų7078.5 Ų78.533%0.32743%0.429SS..Hα-helixtrans-73-43.2176.9-167.3-179.1172.300110.4R94 N95 F100 R101 E102R94-E98 IonicContact CZ-OE1 2.71Å; R94-E98 IonicContact NH1-OE1 3.97Å; R94-E98 PolarHBondContact NH1-OE1 3.32Å; N95-E98 HydrophobicContact CB-CB 4.02Å; N95-E98 WeakPolarHBondContact O-CA 2.96Å; N95-E98 VanDerWaalsContact O-CB 3.27Å; N95-E98 WeakPolarHBondContact O-CB 3.23Å; N95-E98 PolarHBondContact O-N 3.22Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 PolarHBondContact O-N 2.99Å; E98-R101 PolarHBondContact O-N 3.01Å; E98-E102 WeakPolarHBondContact O-CB 3.29Å; E98-E102 PolarHBondContact O-N 2.87Å
99V71.7Confident61.6Low16 Ų1675 Ų7510%0.09739%0.392CS..Hα-helixtrans-59.5-43.6173179.50000110.5R94 N95 F103R94-V99 HydrophobicContact CB-CG2 3.62Å; N95-V99 PolarHBondContact O-N 3.18Å; V99-F103 WeakPolarHBondContact O-CB 3.36Å; V99-F103 PolarHBondContact O-N 3.36Å
100F70.7Confident62.5Low22 Ų2274 Ų7410%0.09639%0.387CS..Hα-helixtrans-61.7-48175.9-172.7-96.1000111.5Y23 A27 P96 E98 F104 P109 F110Y23-F100 AromaticContact CE1-CD2 3.76Å; Y23-F100 HydrophobicContact CE1-CD2 3.76Å; Y23-F100 HydrophobicContact CE1-CE2 4.37Å; A27-F100 HydrophobicContact CB-CD2 4.29Å; A27-F100 HydrophobicContact CB-CE2 3.75Å; P96-F100 VanDerWaalsContact O-CB 3.29Å; P96-F100 WeakPolarHBondContact O-CB 3.37Å; P96-F100 PolarHBondContact O-N 3.47Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 PolarHBondContact O-N 2.99Å; F100-F104 HydrophobicContact CD1-CD2 4.39Å; F100-F104 AromaticContact CD2-CD2 3.76Å; F100-F104 HydrophobicContact CD2-CD2 3.76Å; F100-F104 AromaticContact CD2-CE2 3.74Å; F100-F104 HydrophobicContact CD2-CE2 3.74Å; F100-F104 AromaticContact CE2-CD2 3.9Å; F100-F104 HydrophobicContact CE2-CD2 3.9Å; F100-F104 AromaticContact CE2-CE2 3.8Å; F100-F104 HydrophobicContact CE2-CE2 3.8Å; F100-F104 HydrophobicContact CG-CD2 4.05Å; F100-F104 HydrophobicContact CG-CE2 4.45Å; F100-F104 HydrophobicContact CZ-CD2 4.32Å; F100-F104 WeakPolarHBondContact O-CB 3.24Å; F100-F104 WeakPolarHBondContact O-CD2 3.48Å; F100-F104 PolarHBondContact O-N 3.18Å; F100-P109 HydrophobicContact CE1-CG 3.45Å; F100-P109 VanDerWaalsContact CE1-CG 3.45Å; F100-P109 HydrophobicContact CE2-CG 3.88Å; F100-P109 HydrophobicContact CZ-CB 4.41Å; F100-P109 HydrophobicContact CZ-CG 3.08Å; F100-F110 HydrophobicContact CE1-CE2 4.15Å; F100-F110 HydrophobicContact CE1-CZ 4.18Å; F100-F110 HydrophobicContact CE2-CZ 4.31Å; F100-F110 HydrophobicContact CZ-CE1 4.06Å; F100-F110 AromaticContact CZ-CE2 3.86Å; F100-F110 HydrophobicContact CZ-CE2 3.86Å; F100-F110 AromaticContact CZ-CZ 3.46Å; F100-F110 HydrophobicContact CZ-CZ 3.46Å; F100-F110 VanDerWaalsContact CZ-CZ 3.46Å
101R73.8Confident63.5Low177 Ų17770 Ų7067%0.66837%0.366SS*.Hα-helixtrans-67.3-40179.7-76.4173.558.3-164.7-5.8113.4D97 E98 G105 G106D97-R101 VanDerWaalsContact O-CB 3.31Å; D97-R101 WeakPolarHBondContact O-CB 3.22Å; D97-R101 WeakPolarHBondContact O-CG 3.09Å; D97-R101 PolarHBondContact O-N 3.34Å; E98-R101 PolarHBondContact O-N 3.01Å; R101-G105 CarbonylContact O-C 3.53Å; R101-G105 WeakPolarHBondContact O-CA 3.19Å; R101-G105 PolarHBondContact O-N 3.01Å; R101-G106 PolarHBondContact O-N 2.97Å
102E72.9Confident63.9Low141 Ų14171.3 Ų71.366%0.65938%0.379SS*.Hα-helixtrans-66.7-47.5178.9-179.1173.7-176.100110.3E98 G105E98-E102 WeakPolarHBondContact O-CB 3.29Å; E98-E102 PolarHBondContact O-N 2.87Å; E102-G105 PolarHBondContact O-N 3.49Å
103F67.4Low64.1Low87 Ų8772.4 Ų72.438%0.38238%0.378SS..Hα-helixtrans-74.1-32.6-176.4-153.2-73.6000112.9K20 Y53 V99K20-F103 HydrophobicContact CD-CE1 4.48Å; Y53-F103 HydrophobicContact CE1-CB 4.22Å; Y53-F103 AromaticContact CE1-CD1 3.78Å; Y53-F103 HydrophobicContact CE1-CD1 3.78Å; Y53-F103 AromaticContact CE1-CD2 3.87Å; Y53-F103 HydrophobicContact CE1-CD2 3.87Å; Y53-F103 HydrophobicContact CE1-CE1 4.13Å; Y53-F103 HydrophobicContact CE1-CE2 4.16Å; Y53-F103 AromaticContact CE1-CG 3.66Å; Y53-F103 HydrophobicContact CE1-CG 3.66Å; Y53-F103 HydrophobicContact CE1-CZ 4.28Å; Y53-F103 AromaticContact CZ-CD1 3.77Å; Y53-F103 AromaticContact CZ-CE1 3.77Å; Y53-F103 WeakPolarHBondContact OH-CD1 3.43Å; Y53-F103 WeakPolarHBondContact OH-CE1 3.31Å; Y53-F103 WeakPolarHBondContact OH-CZ 3.16Å; V99-F103 WeakPolarHBondContact O-CB 3.36Å; V99-F103 PolarHBondContact O-N 3.36Å
104F69.2Low64.2Low24 Ų2470.7 Ų70.711%0.10537%0.37CS..THydrogen-bonded Turntrans-94.79.1174.6-63.1-70000113.2Y23 F100 G106 Q107 P109Y23-F104 AromaticContact CD1-CE2 3.84Å; Y23-F104 HydrophobicContact CD1-CE2 3.84Å; Y23-F104 HydrophobicContact CD1-CZ 4.05Å; Y23-F104 AromaticContact CE1-CE2 3.74Å; Y23-F104 HydrophobicContact CE1-CE2 3.74Å; Y23-F104 HydrophobicContact CE1-CZ 4.41Å; F100-F104 HydrophobicContact CD1-CD2 4.39Å; F100-F104 AromaticContact CD2-CD2 3.76Å; F100-F104 HydrophobicContact CD2-CD2 3.76Å; F100-F104 AromaticContact CD2-CE2 3.74Å; F100-F104 HydrophobicContact CD2-CE2 3.74Å; F100-F104 AromaticContact CE2-CD2 3.9Å; F100-F104 HydrophobicContact CE2-CD2 3.9Å; F100-F104 AromaticContact CE2-CE2 3.8Å; F100-F104 HydrophobicContact CE2-CE2 3.8Å; F100-F104 HydrophobicContact CG-CD2 4.05Å; F100-F104 HydrophobicContact CG-CE2 4.45Å; F100-F104 HydrophobicContact CZ-CD2 4.32Å; F100-F104 WeakPolarHBondContact O-CB 3.24Å; F100-F104 WeakPolarHBondContact O-CD2 3.48Å; F100-F104 PolarHBondContact O-N 3.18Å; F104-G106 VanDerWaalsContact C-N 3.27Å; F104-G106 PolarHBondContact O-N 3.09Å; F104-Q107 VanDerWaalsContact O-CB 3.29Å; F104-Q107 WeakPolarHBondContact O-CB 3.17Å; F104-Q107 PolarHBondContact O-N 3.19Å; F104-P109 HydrophobicContact CB-CB 4.29Å; F104-P109 HydrophobicContact CB-CG 4.22Å; F104-P109 HydrophobicContact CD1-CB 3.81Å; F104-P109 HydrophobicContact CD1-CG 4.41Å; F104-P109 HydrophobicContact CD2-CB 4.28Å; F104-P109 HydrophobicContact CD2-CG 4.03Å; F104-P109 HydrophobicContact CE1-CB 4.22Å; F104-P109 HydrophobicContact CG-CB 3.86Å; F104-P109 HydrophobicContact CG-CG 3.96Å
105G63Low63.8Low65 Ų6571.1 Ų71.167%0.6738%0.382SS*.THydrogen-bonded Turntrans61.527.2169.900000115.2R101 E102 Q107R101-G105 CarbonylContact O-C 3.53Å; R101-G105 WeakPolarHBondContact O-CA 3.19Å; R101-G105 PolarHBondContact O-N 3.01Å; E102-G105 PolarHBondContact O-N 3.49Å; G105-Q107 PolarHBondContact O-N 3.21Å; G105-Q107 VanDerWaalsContact O-N 3.09Å
106G57.1Low62.8Low64 Ų6470.5 Ų70.566%0.6638%0.378SS*.THydrogen-bonded Turntrans65.73.7-171.300000114.5R101 F104R101-G106 PolarHBondContact O-N 2.97Å; F104-G106 VanDerWaalsContact C-N 3.27Å; F104-G106 PolarHBondContact O-N 3.09Å
107Q57.3Low61.6Low145 Ų14577.1 Ų77.168%0.67841%0.405SS*.SBendtrans-83.1117.5173.2-164175.1-4.100107.4F104 G105 P109F104-Q107 VanDerWaalsContact O-CB 3.29Å; F104-Q107 WeakPolarHBondContact O-CB 3.17Å; F104-Q107 PolarHBondContact O-N 3.19Å; G105-Q107 PolarHBondContact O-N 3.21Å; G105-Q107 VanDerWaalsContact O-N 3.09Å; Q107-P109 WeakPolarHBondContact O-CD 3.34Å
108D59.4Low60.8Low60 Ų6077.9 Ų77.932%0.32142%0.421SS..  trans-57.3106.4-177.1-169.1-14.3000109.7F110 A111D108-F110 PolarHBondContact O-N 2.93Å; D108-F110 VanDerWaalsContact O-N 3.09Å; D108-F110 VanDerWaalsContact OD1-CB 3.22Å; D108-F110 WeakPolarHBondContact OD1-CB 3.41Å; D108-F110 WeakPolarHBondContact OD1-CD2 2.87Å; D108-F110 WeakPolarHBondContact OD1-CG 2.75Å; D108-F110 PolarHBondContact OD1-N 2.92Å; D108-A111 HydrophobicContact CB-CB 4.46Å; D108-A111 VanDerWaalsContact O-CB 3.29Å; D108-A111 WeakPolarHBondContact O-CB 3.2Å; D108-A111 PolarHBondContact O-N 3.49Å
109P61.4Low59.8Low7 Ų779 Ų795%0.04544%0.436CS..THydrogen-bonded Turntrans-69.6-10.4-175.830.7-34.1000111.2R24 F100 F104 Q107R24-P109 VanDerWaalsContact CD-O 3.23Å; R24-P109 WeakPolarHBondContact CD-O 3.45Å; R24-P109 HydrophobicContact CG-CB 4.13Å; R24-P109 PolarHBondContact NE-O 3.31Å; R24-P109 PolarHBondContact NH1-O 2.78Å; F100-P109 HydrophobicContact CE1-CG 3.45Å; F100-P109 VanDerWaalsContact CE1-CG 3.45Å; F100-P109 HydrophobicContact CE2-CG 3.88Å; F100-P109 HydrophobicContact CZ-CB 4.41Å; F100-P109 HydrophobicContact CZ-CG 3.08Å; F104-P109 HydrophobicContact CB-CB 4.29Å; F104-P109 HydrophobicContact CB-CG 4.22Å; F104-P109 HydrophobicContact CD1-CB 3.81Å; F104-P109 HydrophobicContact CD1-CG 4.41Å; F104-P109 HydrophobicContact CD2-CB 4.28Å; F104-P109 HydrophobicContact CD2-CG 4.03Å; F104-P109 HydrophobicContact CE1-CB 4.22Å; F104-P109 HydrophobicContact CG-CB 3.86Å; F104-P109 HydrophobicContact CG-CG 3.96Å; Q107-P109 WeakPolarHBondContact O-CD 3.34Å
110F60.7Low58.5Low25 Ų2586.9 Ų86.911%0.1147%0.47CS..THydrogen-bonded Turntrans-77.8-20.5172.6-50-52.4000112.6L28 F100 D108 S112 F113 F114L28-F110 HydrophobicContact CB-CD1 3.91Å; L28-F110 HydrophobicContact CB-CE1 3.42Å; L28-F110 VanDerWaalsContact CB-CE1 3.42Å; L28-F110 HydrophobicContact CB-CZ 4.16Å; L28-F110 HydrophobicContact CD1-CD1 3.59Å; L28-F110 HydrophobicContact CD1-CD2 4.21Å; L28-F110 HydrophobicContact CD1-CE1 3.57Å; L28-F110 HydrophobicContact CD1-CE2 4.18Å; L28-F110 HydrophobicContact CD1-CG 3.93Å; L28-F110 HydrophobicContact CD1-CZ 3.84Å; L28-F110 HydrophobicContact CD2-CD1 3.99Å; L28-F110 HydrophobicContact CD2-CE1 4.37Å; L28-F110 HydrophobicContact CG-CD1 4.01Å; L28-F110 HydrophobicContact CG-CE1 3.93Å; F100-F110 HydrophobicContact CE1-CE2 4.15Å; F100-F110 HydrophobicContact CE1-CZ 4.18Å; F100-F110 HydrophobicContact CE2-CZ 4.31Å; F100-F110 HydrophobicContact CZ-CE1 4.06Å; F100-F110 AromaticContact CZ-CE2 3.86Å; F100-F110 HydrophobicContact CZ-CE2 3.86Å; F100-F110 AromaticContact CZ-CZ 3.46Å; F100-F110 HydrophobicContact CZ-CZ 3.46Å; F100-F110 VanDerWaalsContact CZ-CZ 3.46Å; D108-F110 PolarHBondContact O-N 2.93Å; D108-F110 VanDerWaalsContact O-N 3.09Å; D108-F110 VanDerWaalsContact OD1-CB 3.22Å; D108-F110 WeakPolarHBondContact OD1-CB 3.41Å; D108-F110 WeakPolarHBondContact OD1-CD2 2.87Å; D108-F110 WeakPolarHBondContact OD1-CG 2.75Å; D108-F110 PolarHBondContact OD1-N 2.92Å; F110-S112 PolarHBondContact O-N 3.48Å; F110-F113 PolarHBondContact O-N 2.82Å; F110-F114 PolarHBondContact O-N 3.44Å
111A61Low57.2Low25 Ų2588.7 Ų88.721%0.20749%0.494CS..Hα-helixtrans-62.8-41.1178.300000112.4D108 F113 F114 D115D108-A111 HydrophobicContact CB-CB 4.46Å; D108-A111 VanDerWaalsContact O-CB 3.29Å; D108-A111 WeakPolarHBondContact O-CB 3.2Å; D108-A111 PolarHBondContact O-N 3.49Å; A111-F113 VanDerWaalsContact C-N 3.31Å; A111-F113 PolarHBondContact O-N 3.2Å; A111-F114 PolarHBondContact O-N 3.16Å; A111-D115 PolarHBondContact O-N 3.34Å
112S56.5Low55.5Low62 Ų6287 Ų8743%0.43450%0.503SS..Hα-helixtrans-72.9-19.5178.4-48.30000113.9F110 D116F110-S112 PolarHBondContact O-N 3.48Å; S112-D116 WeakPolarHBondContact O-CB 3.29Å; S112-D116 PolarHBondContact O-N 3.13Å
113F54.5Low54Low94 Ų9485.8 Ų85.841%0.41251%0.508SS..Hα-helixtrans-79.1-32.7176.5-168.7-98.9000111.7F110 A111 D115 F117F110-F113 PolarHBondContact O-N 2.82Å; A111-F113 VanDerWaalsContact C-N 3.31Å; A111-F113 PolarHBondContact O-N 3.2Å; F113-D115 VanDerWaalsContact C-N 3.3Å; F113-F117 VanDerWaalsContact O-CB 3.32Å; F113-F117 WeakPolarHBondContact O-CB 3.19Å; F113-F117 PolarHBondContact O-N 3.45Å
114F54.9Low53.2Low81 Ų8191.2 Ų91.236%0.35553%0.534SS..Hα-helixtrans-67.3-31.6168.9-86.7-84.7000112.4F110 A111 A118 F133 F135F110-F114 PolarHBondContact O-N 3.44Å; A111-F114 PolarHBondContact O-N 3.16Å; F114-A118 PolarHBondContact O-N 3.18Å; F114-F133 VanDerWaalsContact CD1-O 3.26Å; F114-F133 WeakPolarHBondContact CD1-O 3.38Å; F114-F133 HydrophobicContact CE1-CB 3.41Å; F114-F133 VanDerWaalsContact CE1-CB 3.41Å; F114-F133 WeakPolarHBondContact CE1-O 3.28Å; F114-F133 HydrophobicContact CE2-CB 4.3Å; F114-F133 HydrophobicContact CZ-CB 3.27Å; F114-F133 HydrophobicContact CZ-CG 4.2Å; F114-F135 HydrophobicContact CE2-CD2 4.46Å
115D53.1Low51.7Low128 Ų12895.2 Ų95.268%0.68457%0.565SS**Hα-helixtrans-73.4-41.1175.7-149.8-102.9000112.4A111 F113 A118A111-D115 PolarHBondContact O-N 3.34Å; F113-D115 VanDerWaalsContact C-N 3.3Å; D115-A118 WeakPolarHBondContact O-CB 3.17Å; D115-A118 PolarHBondContact O-N 3.48Å
116D47.5Very low50.8Low92 Ų92103.8 Ų103.849%0.49258%0.577SS.*Hα-helixtrans-77.9-28179.7-154.117.4000113S112 A118 S119 F120S112-D116 WeakPolarHBondContact O-CB 3.29Å; S112-D116 PolarHBondContact O-N 3.13Å; D116-A118 VanDerWaalsContact C-N 3.26Å; D116-A118 PolarHBondContact O-N 3.03Å; D116-S119 WeakPolarHBondContact O-CB 3.35Å; D116-S119 PolarHBondContact O-N 3.19Å; D116-F120 PolarHBondContact O-N 3.31Å
117F43.3Very low49.9Very low164 Ų164109 Ų10972%0.71959%0.589SS**Hα-helixtrans-65.4-30.8168.5-177.8-99.6000112F113 S119F113-F117 VanDerWaalsContact O-CB 3.32Å; F113-F117 WeakPolarHBondContact O-CB 3.19Å; F113-F117 PolarHBondContact O-N 3.45Å; F117-S119 PolarHBondContact O-N 3.08Å
118A51.3Low49.1Very low87 Ų87105.7 Ų105.772%0.71959%0.593SS**THydrogen-bonded Turntrans-69.8-12.8171.200000112.9F114 D115 D116F114-A118 PolarHBondContact O-N 3.18Å; D115-A118 WeakPolarHBondContact O-CB 3.17Å; D115-A118 PolarHBondContact O-N 3.48Å; D116-A118 VanDerWaalsContact C-N 3.26Å; D116-A118 PolarHBondContact O-N 3.03Å
119S50.1Low49.2Very low93 Ų93109 Ų10965%0.6562%0.618SS**THydrogen-bonded Turntrans-101.4-18.8-174.8-141.70000114.3D116 F117 G121D116-S119 WeakPolarHBondContact O-CB 3.35Å; D116-S119 PolarHBondContact O-N 3.19Å; F117-S119 PolarHBondContact O-N 3.08Å; S119-G121 PolarHBondContact O-N 3.02Å
120F43.4Very low48.2Very low182 Ų182114.2 Ų114.280%0.79866%0.655SS**SBendtrans-93.421.7-172.9-104-82.7000117.2D116D116-F120 PolarHBondContact O-N 3.31Å
121G42.5Very low47.3Very low59 Ų59124.6 Ų124.661%0.60869%0.693SS**SBendtrans130.787.8145.900000117.9S119S119-G121 PolarHBondContact O-N 3.02Å
122V38.6Very low46.4Very low141 Ų141131.6 Ų131.686%0.85572%0.719SS**  trans-149.5128.1135.2-140.40000108.7
123P41.8Very low45.3Very low117 Ų117134.2 Ų134.276%0.7672%0.723SS**  trans-69.9147.9175.829.5-33.4000111S125P123-S125 PolarHBondContact O-N 3.24Å
124H50.8Low44.3Very low200 Ų200134.8 Ų134.893%0.92674%0.739SS**  trans-51.5118.4179.9-83.2-85.6000113.9
125S37Very low43.3Very low109 Ų109136.1 Ų136.176%0.76275%0.745SS**  trans-164.2116.1142.642.80000112P123P123-S125 PolarHBondContact O-N 3.24Å
126R45.4Very low42.6Very low244 Ų244135.5 Ų135.592%0.92175%0.747SS**SBendtrans26.8103.2149-61.9-176.8178.7174.3-0.1116.8
127L37.5Very low42.5Very low175 Ų175135.9 Ų135.992%0.91676%0.757SS**  trans160.5140.5139.1-102.385.1000106.8
128G40.8Very low42.3Very low74 Ų74132.9 Ų132.976%0.76376%0.757SS**  trans-67.8-171.4173.400000112.4
129P60.8Low41.6Very low131 Ų131131.7 Ų131.785%0.85175%0.753SS**  cis-138.1-174.75.837.3-15.6000115
130S40.4Very low40.9Very low116 Ų116134 Ų13481%0.81176%0.763SS**  trans87.495.8164.5-138.50000118.7
131R42.8Very low40.3Very low242 Ų242134 Ų13491%0.91377%0.766SS**  trans-109.2105.1168.7-68.5-166.9-89.2-144.2-0.6108.3
132F40.8Very low39.7Very low172 Ų172139.7 Ų139.775%0.75477%0.774SS**  trans-97.1-13.5-172.4-169.2-114.2000115.1
133F33.5Very low39.2Very low117 Ų117138.1 Ų138.151%0.51377%0.769SS.*  trans-148.9124.4168.1-79.7-78.8000110.1F114F114-F133 VanDerWaalsContact CD1-O 3.26Å; F114-F133 WeakPolarHBondContact CD1-O 3.38Å; F114-F133 HydrophobicContact CE1-CB 3.41Å; F114-F133 VanDerWaalsContact CE1-CB 3.41Å; F114-F133 WeakPolarHBondContact CE1-O 3.28Å; F114-F133 HydrophobicContact CE2-CB 4.3Å; F114-F133 HydrophobicContact CZ-CB 3.27Å; F114-F133 HydrophobicContact CZ-CG 4.2Å
134S34.2Very low38.7Very low106 Ų106136.1 Ų136.174%0.74176%0.758SS**  trans-142.4101.8173.7-165.40000106.4
135F33.5Very low37.9Very low110 Ų110135.6 Ų135.648%0.48275%0.753SS.*  trans-77.8132164.7-71.2-83.3000107.8F114 S137F114-F135 HydrophobicContact CE2-CD2 4.46Å; F135-S137 PolarHBondContact O-N 3.36Å; F135-S137 VanDerWaalsContact O-N 3.16Å
136P39.1Very low37.5Very low114 Ų114135.6 Ų135.674%0.7475%0.753SS**  trans-71.6111174.528.8-29.5000108.4S138P136-S138 PolarHBondContact O-N 3.4Å
137S44.4Very low37.1Very low100 Ų100128.5 Ų128.570%0.69974%0.741SS**  trans-62.9113.4154.7177.70000107.7F135F135-S137 PolarHBondContact O-N 3.36Å; F135-S137 VanDerWaalsContact O-N 3.16Å
138S39.3Very low36.9Very low102 Ų102125.2 Ų125.271%0.71373%0.733SS**  trans-151.5129.7154.256.30000108.4P136P136-S138 PolarHBondContact O-N 3.4Å
139G36.7Very low36.9Very low62 Ų62132 Ų13264%0.63974%0.741SS**  trans-52.6147.8177.500000112.1
140V35.1Very low35.6Very low142 Ų142129.1 Ų129.186%0.86174%0.735SS**  trans20.7106.4144.8-61.30000115.7
141E32.3Very low35.1Very low182 Ų182127.1 Ų127.185%0.8573%0.734SS**  -148.9108.2110.6-100.9-156.4114.400110.1S143E141-S143 PolarHBondContact O-N 3.36Å
142F29.1Very low34.9Very low178 Ų178124.3 Ų124.378%0.78174%0.735SS**  trans-70.7109.5161.1169-92.6000107.6S144F142-S144 WeakPolarHBondContact CE2-OG 3.34Å; F142-S144 WeakPolarHBondContact CZ-OG 3.41Å
143S28.4Very low34.8Very low107 Ų107119.6 Ų119.675%0.74874%0.736SS**  trans-127.195.8153.715.40000108.1E141E141-S143 PolarHBondContact O-N 3.36Å
144S31.5Very low35.4Very low75 Ų75117.3 Ų117.352%0.52475%0.745SS.*  trans-61.6144.7168.3-72.70000111.2F142F142-S144 WeakPolarHBondContact CE2-OG 3.34Å; F142-S144 WeakPolarHBondContact CZ-OG 3.41Å
145F33.9Very low35.7Very low190 Ų190121.1 Ų121.183%0.83375%0.753SS**  trans3098.3146.7-173.1-99.7000117.5
146S28.1Very low36.2Very low109 Ų109124.5 Ų124.576%0.76277%0.771SS**  trans-151.6111.1149.4173.30000109.4S148S146-S148 PolarHBondContact O-N 3.32Å
147S36.8Very low36.8Very low95 Ų95124.5 Ų124.566%0.66477%0.773SS**  trans-65.1111.4162.817.30000109.8
148S33.1Very low36.7Very low106 Ų106129 Ų12974%0.74179%0.785SS**  trans-165112.3148.6-96.90000112.2S146S146-S148 PolarHBondContact O-N 3.32Å
149F40.8Very low36.6Very low216 Ų216127.4 Ų127.495%0.94779%0.785SS**  trans14.5114.8131.9-169.3-101.4000117.7
150G32.9Very low37.1Very low70 Ų70129 Ų12972%0.72280%0.802SS**  trans123.9133.414700000117.4
151G31Very low37.8Very low75 Ų75126.3 Ų126.377%0.77379%0.79SS**  trans9692.1157.100000114.7
152L37.7Very low39Very low182 Ų182124.2 Ų124.295%0.95378%0.784SS**  66107.388.7-162.694.8000113.7
153G38.9Very low40.5Very low74 Ų74122.9 Ų122.976%0.76378%0.779SS**  trans103.7110.9137.700000117
154G45.7Very low42.9Very low68 Ų68124.6 Ų124.670%0.70177%0.768SS**  trans80.387.4138.700000116.6
155M41Very low45.1Very low187 Ų187123.3 Ų123.392%0.92176%0.76SS**  trans-146.865.4136.9-158.5137.16200109.2
156E43.7Very low47.6Very low181 Ų181117.4 Ų117.485%0.84674%0.739SS**  trans-69.6135.115638.1-177.884.500108.3
157S52.9Low50.4Low114 Ų114115.5 Ų115.580%0.79773%0.725SS**  trans82.888.8168-148.90000117.3
158M41.3Very low53Low193 Ų193115.1 Ų115.195%0.95172%0.719SS**  -165.6126.4129.2-114.3162.369.500112.2
159G38Very low55.5Low69 Ų69113.4 Ų113.471%0.71171%0.708SS**  trans9198.1148.500000116.9S161G159-S161 PolarHBondContact O-N 2.99Å
160G46.6Very low57.8Low97 Ų97107 Ų107100%169%0.686SS**  trans-57.296.7172.400000113.7
161S49.2Very low60.3Low85 Ų85112.4 Ų112.459%0.59469%0.685SS**  trans-114141.7159.356.40000107.1G159 F163G159-S161 PolarHBondContact O-N 2.99Å; S161-F163 PolarHBondContact O-N 2.93Å
162N58.9Low63Low138 Ų138115 Ų11574%0.73868%0.68SS**  trans-68.581.1173-75-19.9000108.6R164 N186N162-R164 PolarHBondContact O-N 2.95Å; N162-R164 VanDerWaalsContact O-N 3.11Å; N162-N186 WeakPolarHBondContact CB-OD1 3.48Å; N162-N186 PolarHBondContact ND2-OD1 2.77Å; N162-N186 PolarHBondContact OD1-OD1 3.22Å
163F59.1Low65.1Low150 Ų150109.4 Ų109.466%0.65865%0.653SS**  trans-73.2104.4-176.2-161.1-95.8000108.7S161 S165S161-F163 PolarHBondContact O-N 2.93Å; F163-S165 PolarHBondContact O-N 3.42Å
164R79.6Confident66.9Low142 Ų142113.6 Ų113.654%0.53666%0.658SS.*  trans-85.8102.1167.9-175.2172.4-179.7-110.81.4108.5N162 V166 I183 K184 E185N162-R164 PolarHBondContact O-N 2.95Å; N162-R164 VanDerWaalsContact O-N 3.11Å; R164-V166 HydrophobicContact CG-CG2 4.4Å; R164-I183 HydrophobicContact CG-CG2 4.46Å; R164-K184 CarbonylContact C-O 3.6Å; R164-K184 WeakPolarHBondContact CA-O 3.41Å; R164-E185 HydrophobicContact CB-CB 4.46Å; R164-E185 HydrophobicContact CB-CG 4.22Å; R164-E185 WeakPolarHBondContact CD-OE2 3.45Å; R164-E185 HydrophobicContact CG-CB 4.09Å; R164-E185 HydrophobicContact CG-CG 4.14Å; R164-E185 IonicContact NE-OE2 3.22Å; R164-E185 PolarHBondContact NE-OE2 3.42Å
165S77.8Confident68.6Low49 Ų49113.7 Ų113.734%0.34366%0.659SS.*EExtended strand (participates in β ladder)trans-95.3129.3174.2-174.90000109.5F163 I183 K184F163-S165 PolarHBondContact O-N 3.42Å; S165-I183 CarbonylContact O-C 3.57Å; S165-I183 WeakPolarHBondContact O-CA 3.01Å; S165-K184 PolarHBondContact N-O 3.36Å; S165-K184 PolarHBondContact O-N 3.1Å
166V87.6Confident70.5Confident66 Ų66110.1 Ų110.140%0.464%0.638SS.*EExtended strand (participates in β ladder)trans-119123.6172.5-174.90000108.4R164 K181 K182 I183R164-V166 HydrophobicContact CG-CG2 4.4Å; V166-K181 HydrophobicContact CG1-CG 4.21Å; V166-K182 CarbonylContact C-O 3.53Å; V166-K182 VanDerWaalsContact CA-O 3.3Å; V166-K182 WeakPolarHBondContact CA-O 3.38Å; V166-I183 HydrophobicContact CG1-CG1 4.14Å; V166-I183 HydrophobicContact CG2-CG1 4.24Å; V166-I183 HydrophobicContact CG2-CG2 4.29Å
167S85.6Confident72.3Confident68 Ų68103.4 Ų103.448%0.47661%0.612SS.*EExtended strand (participates in β ladder)trans-123.8113.4178.4172.90000109K181 K182S167-K181 CarbonylContact O-C 3.55Å; S167-K181 WeakPolarHBondContact O-CA 3.27Å; S167-K182 PolarHBondContact N-O 3.34Å; S167-K182 PolarHBondContact O-N 3.42Å
168T91.1Very high74Confident87 Ų8799.3 Ų99.353%0.53458%0.582SS.*EExtended strand (participates in β ladder)trans-108.3129.3178.1-52.90000109.6T179 T180 K181T168-T179 HydrophobicContact CG2-CG2 3.79Å; T168-T180 CarbonylContact C-O 3.5Å; T168-T180 WeakPolarHBondContact CA-O 3.5Å; T168-K181 HydrophobicContact CG2-CB 4.47Å
169S86.5Confident76.3Confident71 Ų7191.1 Ų91.150%0.49754%0.543SS..EExtended strand (participates in β ladder)trans-133.8119.7177.6-175.80000109.6T179 T180S169-T179 CarbonylContact O-C 3.56Å; S169-T179 WeakPolarHBondContact O-CA 3.43Å; S169-T180 PolarHBondContact N-O 3.46Å; S169-T180 PolarHBondContact O-N 2.94Å
170T89.4Confident78.8Confident82 Ų8290.3 Ų90.350%0.50352%0.524SS..EExtended strand (participates in β ladder)trans-104.4129.4174.3-58.10000109.2S177 T178 T179T170-S177 WeakPolarHBondContact CG2-OG 3.47Å; T170-T178 CarbonylContact C-O 3.5Å; T170-T178 WeakPolarHBondContact CA-O 3.37Å; T170-T179 WeakPolarHBondContact CG2-OG1 3.16Å; T170-T179 WeakPolarHBondContact OG1-CG2 3.37Å; T170-T179 PolarHBondContact OG1-OG1 2.65Å
171R84.7Confident81Confident183 Ų18388.2 Ų88.269%0.69149%0.487SS*.EExtended strand (participates in β ladder)trans-132.8134.4177.8-170.5177-174.4-179.92.3110.1V173 T178R171-V173 HydrophobicContact CG-CG2 4.02Å; R171-T178 PolarHBondContact N-O 2.91Å; R171-T178 PolarHBondContact O-N 2.98Å
172I88.2Confident83Confident130 Ų13088 Ų8867%0.66748%0.476SS*.EExtended strand (participates in β ladder)trans-87.2121173.2-57.5162.8000108K176I172-K176 CarbonylContact C-O 3.58Å; I172-K176 WeakPolarHBondContact CA-O 3.25Å
173V81.7Confident84.5Confident63 Ų6382 Ų8238%0.38244%0.443SS..EExtended strand (participates in β ladder)trans-128.9122.3178.6-175.90000107.9R171 G175 K176R171-V173 HydrophobicContact CG-CG2 4.02Å; V173-G175 PolarHBondContact O-N 2.79Å; V173-K176 PolarHBondContact N-O 3.16Å; V173-K176 PolarHBondContact O-N 3.12Å
174N76.3Confident85.9Confident162 Ų16279.9 Ų79.987%0.86643%0.434SS*.THydrogen-bonded Turntrans53.935.1179.7-55.8-33.4000114.3K176N174-K176 PolarHBondContact O-N 2.82Å
175G81.8Confident86.1Confident71 Ų7177.3 Ų77.373%0.73243%0.428SS*.THydrogen-bonded Turntrans79.5-1.4-178.300000115.1V173V173-G175 PolarHBondContact O-N 2.79Å
176K80.8Confident86.1Confident111 Ų11179.5 Ų79.548%0.48344%0.436SS..EExtended strand (participates in β ladder)trans-101.7139.6175.1-62.6-176.4178.1-175.50110.8I172 V173 N174 D196I172-K176 CarbonylContact C-O 3.58Å; I172-K176 WeakPolarHBondContact CA-O 3.25Å; V173-K176 PolarHBondContact N-O 3.16Å; V173-K176 PolarHBondContact O-N 3.12Å; N174-K176 PolarHBondContact O-N 2.82Å; K176-D196 WeakPolarHBondContact CA-OD1 3.31Å
177S81Confident85.6Confident41 Ų4179.4 Ų79.429%0.28745%0.448SS..EExtended strand (participates in β ladder)trans-88.5106.7177.9-1740000109.9T170 E195 D196T170-S177 WeakPolarHBondContact CG2-OG 3.47Å; S177-E195 CarbonylContact O-C 3.47Å; S177-E195 WeakPolarHBondContact O-CA 3.41Å; S177-D196 PolarHBondContact N-OD1 3.18Å; S177-D196 PolarHBondContact O-N 3.36Å
178T89.2Confident85.3Confident28 Ų2883.1 Ų83.117%0.17246%0.456CS..EExtended strand (participates in β ladder)trans-97.5114.5174.6-52.10000109.7T170 R171 I193 E194T170-T178 CarbonylContact C-O 3.5Å; T170-T178 WeakPolarHBondContact CA-O 3.37Å; R171-T178 PolarHBondContact N-O 2.91Å; R171-T178 PolarHBondContact O-N 2.98Å; T178-I193 HydrophobicContact CG2-CG2 3.91Å; T178-E194 CarbonylContact C-O 3.57Å; T178-E194 VanDerWaalsContact CA-O 3.27Å; T178-E194 WeakPolarHBondContact CA-O 3.14Å
179T88.6Confident85.2Confident21 Ų2181.2 Ų81.213%0.12944%0.441CS..EExtended strand (participates in β ladder)trans-103.1120.9174.2-61.20000109.9T168 S169 T170 I193 E194T168-T179 HydrophobicContact CG2-CG2 3.79Å; S169-T179 CarbonylContact O-C 3.56Å; S169-T179 WeakPolarHBondContact O-CA 3.43Å; T170-T179 WeakPolarHBondContact CG2-OG1 3.16Å; T170-T179 WeakPolarHBondContact OG1-CG2 3.37Å; T170-T179 PolarHBondContact OG1-OG1 2.65Å; T179-I193 WeakPolarHBondContact O-CA 3.47Å; T179-E194 PolarHBondContact N-O 3.44Å; T179-E194 PolarHBondContact O-N 3.33Å
180T91.1Very high85.4Confident52 Ų5280.9 Ų80.932%0.31943%0.429SS..EExtended strand (participates in β ladder)trans-106.6120174.3-550000109.3T168 S169 I191 E192T168-T180 CarbonylContact C-O 3.5Å; T168-T180 WeakPolarHBondContact CA-O 3.5Å; S169-T180 PolarHBondContact N-O 3.46Å; S169-T180 PolarHBondContact O-N 2.94Å; T180-I191 HydrophobicContact CG2-CG2 3.66Å; T180-E192 CarbonylContact C-O 3.57Å; T180-E192 WeakPolarHBondContact CA-O 3.06Å
181K92.6Very high85.5Confident53 Ų5378.5 Ų78.523%0.2341%0.413CS..EExtended strand (participates in β ladder)trans-116.5109.6177.8178.8-175.2175.6-159.10109.6V166 S167 T168 I183 I191 E192V166-K181 HydrophobicContact CG1-CG 4.21Å; S167-K181 CarbonylContact O-C 3.55Å; S167-K181 WeakPolarHBondContact O-CA 3.27Å; T168-K181 HydrophobicContact CG2-CB 4.47Å; K181-I183 HydrophobicContact CD-CD1 4.43Å; K181-I183 HydrophobicContact CG-CD1 4.43Å; K181-I183 HydrophobicContact CG-CG1 4.26Å; K181-I191 CarbonylContact O-C 3.58Å; K181-I191 WeakPolarHBondContact O-CA 3.41Å; K181-E192 HydrophobicContact CB-CB 4.25Å; K181-E192 PolarHBondContact N-O 2.85Å; K181-E192 IonicContact NZ-OE2 2.7Å; K181-E192 PolarHBondContact NZ-OE2 3.4Å; K181-E192 PolarHBondContact O-N 3.06Å
182K91.9Very high86Confident80 Ų8070 Ų7035%0.34838%0.38SS..EExtended strand (participates in β ladder)trans-99118.8179.5174.5168.6169.3149.90110V166 S167 E189 R190 I191V166-K182 CarbonylContact C-O 3.53Å; V166-K182 VanDerWaalsContact CA-O 3.3Å; V166-K182 WeakPolarHBondContact CA-O 3.38Å; S167-K182 PolarHBondContact N-O 3.34Å; S167-K182 PolarHBondContact O-N 3.42Å; K182-E189 VanDerWaalsContact CD-OE1 3.29Å; K182-E189 WeakPolarHBondContact CD-OE1 3.17Å; K182-E189 WeakPolarHBondContact CE-OE1 3.32Å; K182-E189 HydrophobicContact CG-CG 4.33Å; K182-E189 IonicContact NZ-OE1 3.88Å; K182-E189 PolarHBondContact NZ-OE1 3.33Å; K182-E189 IonicContact NZ-OE2 4Å; K182-E189 PolarHBondContact NZ-OE2 3.43Å; K182-E189 VanDerWaalsContact NZ-OE2 3.12Å; K182-R190 CarbonylContact C-O 3.45Å; K182-R190 WeakPolarHBondContact CA-O 3.48Å; K182-I191 HydrophobicContact CB-CG1 4.46Å; K182-I191 HydrophobicContact CG-CG1 4.37Å
183I90.8Very high86.1Confident12 Ų1265.9 Ų65.96%0.06236%0.359CS..EExtended strand (participates in β ladder)trans-115.1111.3179.9-57.2158.1000107.1R164 S165 V166 K181 R190 E192R164-I183 HydrophobicContact CG-CG2 4.46Å; S165-I183 CarbonylContact O-C 3.57Å; S165-I183 WeakPolarHBondContact O-CA 3.01Å; V166-I183 HydrophobicContact CG1-CG1 4.14Å; V166-I183 HydrophobicContact CG2-CG1 4.24Å; V166-I183 HydrophobicContact CG2-CG2 4.29Å; K181-I183 HydrophobicContact CD-CD1 4.43Å; K181-I183 HydrophobicContact CG-CD1 4.43Å; K181-I183 HydrophobicContact CG-CG1 4.26Å; I183-R190 HydrophobicContact CB-CB 4.42Å; I183-R190 PolarHBondContact N-O 3.01Å; I183-R190 PolarHBondContact O-N 3.22Å; I183-E192 WeakPolarHBondContact CD1-OE1 3.35Å
184K88.5Confident86.6Confident105 Ų10564.5 Ų64.546%0.45735%0.349SS..EExtended strand (participates in β ladder)trans-105.6115.3174-170.7174.2-176.3176.40108.2R164 S165 K188R164-K184 CarbonylContact C-O 3.6Å; R164-K184 WeakPolarHBondContact CA-O 3.41Å; S165-K184 PolarHBondContact N-O 3.36Å; S165-K184 PolarHBondContact O-N 3.1Å; K184-K188 CarbonylContact C-O 3.47Å; K184-K188 WeakPolarHBondContact CA-O 3.47Å
185E83.1Confident87.3Confident88 Ų8860.2 Ų60.241%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-136.8129.7-176.6-173.3176.417200110R164 G187 K188R164-E185 HydrophobicContact CB-CB 4.46Å; R164-E185 HydrophobicContact CB-CG 4.22Å; R164-E185 WeakPolarHBondContact CD-OE2 3.45Å; R164-E185 HydrophobicContact CG-CB 4.09Å; R164-E185 HydrophobicContact CG-CG 4.14Å; R164-E185 IonicContact NE-OE2 3.22Å; R164-E185 PolarHBondContact NE-OE2 3.42Å; E185-G187 PolarHBondContact O-N 3.25Å; E185-K188 PolarHBondContact N-O 3.43Å; E185-K188 PolarHBondContact O-N 2.82Å
186N78.6Confident87.5Confident96 Ų9661.3 Ų61.351%0.51331%0.313SS..THydrogen-bonded Turntrans52.531.8178.2-55.7-37.6000113.9N162 K188N162-N186 WeakPolarHBondContact CB-OD1 3.48Å; N162-N186 PolarHBondContact ND2-OD1 2.77Å; N162-N186 PolarHBondContact OD1-OD1 3.22Å; N186-K188 VanDerWaalsContact C-N 3.27Å; N186-K188 PolarHBondContact O-N 3Å
187G76.9Confident87.5Confident64 Ų6458.9 Ų58.966%0.6632%0.319SS*.THydrogen-bonded Turntrans80.8-6.1-176.800000115.5E185E185-G187 PolarHBondContact O-N 3.25Å
188K78.6Confident87.8Confident145 Ų14560.8 Ų60.863%0.6333%0.329SS*.EExtended strand (participates in β ladder)trans-90.6133.3172.1-64.8-176.6179.4-177.20109.9K184 E185 N186K184-K188 CarbonylContact C-O 3.47Å; K184-K188 WeakPolarHBondContact CA-O 3.47Å; E185-K188 PolarHBondContact N-O 3.43Å; E185-K188 PolarHBondContact O-N 2.82Å; N186-K188 VanDerWaalsContact C-N 3.27Å; N186-K188 PolarHBondContact O-N 3Å
189E88.9Confident87.8Confident47 Ų4759.8 Ų59.822%0.2232%0.322CS..EExtended strand (participates in β ladder)trans-101.5126.9176.7-178.8171.6166.800109.6K182 I191 I204 N205K182-E189 VanDerWaalsContact CD-OE1 3.29Å; K182-E189 WeakPolarHBondContact CD-OE1 3.17Å; K182-E189 WeakPolarHBondContact CE-OE1 3.32Å; K182-E189 HydrophobicContact CG-CG 4.33Å; K182-E189 IonicContact NZ-OE1 3.88Å; K182-E189 PolarHBondContact NZ-OE1 3.33Å; K182-E189 IonicContact NZ-OE2 4Å; K182-E189 PolarHBondContact NZ-OE2 3.43Å; K182-E189 VanDerWaalsContact NZ-OE2 3.12Å; E189-I191 HydrophobicContact CG-CG1 4.2Å; E189-I191 WeakPolarHBondContact OE1-CD1 3.47Å; E189-I204 CarbonylContact O-C 3.56Å; E189-I204 WeakPolarHBondContact O-CA 3.37Å; E189-N205 PolarHBondContact N-OD1 3.02Å; E189-N205 PolarHBondContact O-N 3.11Å
190R91.1Very high87.9Confident65 Ų6564.4 Ų64.425%0.24534%0.341CS..EExtended strand (participates in β ladder)trans-118.6130.2171.1-180177.8179.9-173.3-4.2108.9K182 I183 E192 V202 L203 E216K182-R190 CarbonylContact C-O 3.45Å; K182-R190 WeakPolarHBondContact CA-O 3.48Å; I183-R190 HydrophobicContact CB-CB 4.42Å; I183-R190 PolarHBondContact N-O 3.01Å; I183-R190 PolarHBondContact O-N 3.22Å; R190-E192 IonicContact CZ-OE1 3.93Å; R190-E192 IonicContact NE-OE1 3.41Å; R190-E192 PolarHBondContact NE-OE1 3.04Å; R190-E192 IonicContact NH1-OE1 3.12Å; R190-E192 IonicContact NH2-OE1 3.54Å; R190-V202 HydrophobicContact CG-CG1 3.94Å; R190-L203 CarbonylContact C-O 3.46Å; R190-L203 WeakPolarHBondContact CA-O 3.27Å; R190-E216 IonicContact CZ-OE2 3.35Å; R190-E216 IonicContact NH1-OE2 2.62Å; R190-E216 PolarHBondContact NH1-OE2 2.95Å; R190-E216 IonicContact NH2-OE2 3.46Å; R190-E216 PolarHBondContact NH2-OE2 2.79Å
191I92.1Very high87.8Confident32 Ų3262.9 Ų62.916%0.16433%0.332CS..EExtended strand (participates in β ladder)trans-118.5125175.8-53.4173.5000107.7T180 K181 K182 E189 I193 V202 L203T180-I191 HydrophobicContact CG2-CG2 3.66Å; K181-I191 CarbonylContact O-C 3.58Å; K181-I191 WeakPolarHBondContact O-CA 3.41Å; K182-I191 HydrophobicContact CB-CG1 4.46Å; K182-I191 HydrophobicContact CG-CG1 4.37Å; E189-I191 HydrophobicContact CG-CG1 4.2Å; E189-I191 WeakPolarHBondContact OE1-CD1 3.47Å; I191-I193 HydrophobicContact CG2-CG1 4.12Å; I191-V202 CarbonylContact O-C 3.58Å; I191-V202 VanDerWaalsContact O-CA 3.28Å; I191-V202 WeakPolarHBondContact O-CA 3.25Å; I191-L203 HydrophobicContact CB-CB 4.22Å; I191-L203 HydrophobicContact CB-CD1 4.12Å; I191-L203 HydrophobicContact CG2-CD1 4.29Å; I191-L203 PolarHBondContact N-O 2.93Å; I191-L203 PolarHBondContact O-N 2.74Å
192E93.6Very high87.8Confident3 Ų360.4 Ų60.41%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-104.3123.9172.2-68.3169.3-158.100107.9T180 K181 I183 R190 L199 V202 R220T180-E192 CarbonylContact C-O 3.57Å; T180-E192 WeakPolarHBondContact CA-O 3.06Å; K181-E192 HydrophobicContact CB-CB 4.25Å; K181-E192 PolarHBondContact N-O 2.85Å; K181-E192 IonicContact NZ-OE2 2.7Å; K181-E192 PolarHBondContact NZ-OE2 3.4Å; K181-E192 PolarHBondContact O-N 3.06Å; I183-E192 WeakPolarHBondContact CD1-OE1 3.35Å; R190-E192 IonicContact CZ-OE1 3.93Å; R190-E192 IonicContact NE-OE1 3.41Å; R190-E192 PolarHBondContact NE-OE1 3.04Å; R190-E192 IonicContact NH1-OE1 3.12Å; R190-E192 IonicContact NH2-OE1 3.54Å; E192-L199 HydrophobicContact CB-CD1 3.81Å; E192-L199 HydrophobicContact CG-CD1 4.3Å; E192-V202 HydrophobicContact CG-CG2 4.27Å; E192-R220 IonicContact OE2-NH2 2.82Å; E192-R220 PolarHBondContact OE2-NH2 3.35Å
193I90.7Very high87.8Confident44 Ų4458 Ų5823%0.22631%0.312CS..EExtended strand (participates in β ladder)trans-111.5120.4176.1-51.8-178.2000108.4T178 T179 I191 K200 S201 L203T178-I193 HydrophobicContact CG2-CG2 3.91Å; T179-I193 WeakPolarHBondContact O-CA 3.47Å; I191-I193 HydrophobicContact CG2-CG1 4.12Å; I193-K200 PolarHBondContact O-N 3.3Å; I193-S201 WeakPolarHBondContact CB-OG 3.32Å; I193-S201 WeakPolarHBondContact CD1-OG 3.38Å; I193-S201 PolarHBondContact N-O 3.43Å; I193-S201 PolarHBondContact O-N 3.27Å; I193-L203 HydrophobicContact CD1-CD1 3.74Å; I193-L203 HydrophobicContact CG1-CD1 4.05Å
194E91.9Very high87.8Confident34 Ų3460 Ų6016%0.15932%0.323CS..EExtended strand (participates in β ladder)trans-111.8136.4177.5-56.4174.3176.800109.3T178 T179 V198 L199 R220T178-E194 CarbonylContact C-O 3.57Å; T178-E194 VanDerWaalsContact CA-O 3.27Å; T178-E194 WeakPolarHBondContact CA-O 3.14Å; T179-E194 PolarHBondContact N-O 3.44Å; T179-E194 PolarHBondContact O-N 3.33Å; E194-V198 CarbonylContact C-O 3.45Å; E194-V198 VanDerWaalsContact CA-O 3.23Å; E194-V198 WeakPolarHBondContact CA-O 3.21Å; E194-L199 HydrophobicContact CG-CB 4.46Å; E194-L199 HydrophobicContact CG-CD1 3.82Å; E194-R220 IonicContact OE1-CZ 2.75Å; E194-R220 VanDerWaalsContact OE1-CZ 3.22Å; E194-R220 IonicContact OE1-NH1 3.53Å; E194-R220 PolarHBondContact OE1-NH1 3.44Å; E194-R220 IonicContact OE1-NH2 3.16Å; E194-R220 PolarHBondContact OE1-NH2 3.03Å
195E91.9Very high87.7Confident72 Ų7259.7 Ų59.734%0.33633%0.326SS..EExtended strand (participates in β ladder)trans-117.6124.4170.6-66.8-173156.700108.6S177 G197 V198 K200S177-E195 CarbonylContact O-C 3.47Å; S177-E195 WeakPolarHBondContact O-CA 3.41Å; E195-G197 PolarHBondContact O-N 2.73Å; E195-G197 VanDerWaalsContact O-N 3.08Å; E195-V198 PolarHBondContact N-O 2.86Å; E195-V198 WeakPolarHBondContact O-CB 3.38Å; E195-V198 PolarHBondContact O-N 2.79Å; E195-K200 HydrophobicContact CB-CG 3.91Å; E195-K200 HydrophobicContact CG-CG 3.91Å
196D84.9Confident87.7Confident95 Ų9558 Ų5851%0.50833%0.332SS..THydrogen-bonded Turntrans52.632.9179.7-57.8-42.1000113.1K176 S177 V198K176-D196 WeakPolarHBondContact CA-OD1 3.31Å; S177-D196 PolarHBondContact N-OD1 3.18Å; S177-D196 PolarHBondContact O-N 3.36Å; D196-V198 VanDerWaalsContact C-N 3.34Å
197G81.6Confident88.3Confident59 Ų5958.4 Ų58.461%0.60834%0.338SS*.THydrogen-bonded Turntrans83.52.2-178.900000115.1E195E195-G197 PolarHBondContact O-N 2.73Å; E195-G197 VanDerWaalsContact O-N 3.08Å
198V87.6Confident88.9Confident81 Ų8162 Ų6249%0.49134%0.337SS..EExtended strand (participates in β ladder)trans-100.8125.8175.5-176.40000109.4E194 E195 D196 K200E194-V198 CarbonylContact C-O 3.45Å; E194-V198 VanDerWaalsContact CA-O 3.23Å; E194-V198 WeakPolarHBondContact CA-O 3.21Å; E195-V198 PolarHBondContact N-O 2.86Å; E195-V198 WeakPolarHBondContact O-CB 3.38Å; E195-V198 PolarHBondContact O-N 2.79Å; D196-V198 VanDerWaalsContact C-N 3.34Å; V198-K200 PolarHBondContact O-N 2.68Å
199L89.3Confident89.4Confident7 Ų757.9 Ų57.94%0.03732%0.322CS..EExtended strand (participates in β ladder)trans-67.3118.6174.7-172.568.4000109.7E192 E194 V202 L213 E216 L217E192-L199 HydrophobicContact CB-CD1 3.81Å; E192-L199 HydrophobicContact CG-CD1 4.3Å; E194-L199 HydrophobicContact CG-CB 4.46Å; E194-L199 HydrophobicContact CG-CD1 3.82Å; L199-V202 HydrophobicContact CD1-CG2 4.4Å; L199-V202 HydrophobicContact CD2-CG2 3.94Å; L199-V202 HydrophobicContact CG-CG2 4.4Å; L199-L213 HydrophobicContact CD2-CD1 3.85Å; L199-L213 HydrophobicContact CG-CD1 3.77Å; L199-E216 HydrophobicContact CD2-CB 3.7Å; L199-E216 HydrophobicContact CD2-CG 3.32Å; L199-L217 HydrophobicContact CB-CD2 4Å
200K91.3Very high89.4Confident118 Ų11863.6 Ų63.651%0.51335%0.349SS..EExtended strand (participates in β ladder)trans-101.5-41.5-177.9-74.7-67.9-168.7176.10112.4I193 E195 V198 L213I193-K200 PolarHBondContact O-N 3.3Å; E195-K200 HydrophobicContact CB-CG 3.91Å; E195-K200 HydrophobicContact CG-CG 3.91Å; V198-K200 PolarHBondContact O-N 2.68Å; K200-L213 WeakPolarHBondContact O-CD2 3.43Å
201S88.8Confident89.2Confident20 Ų2066.9 Ų66.914%0.1437%0.369CS..EExtended strand (participates in β ladder)trans-145.2149.6-178.465.30000112.7I193I193-S201 WeakPolarHBondContact CB-OG 3.32Å; I193-S201 WeakPolarHBondContact CD1-OG 3.38Å; I193-S201 PolarHBondContact N-O 3.43Å; I193-S201 PolarHBondContact O-N 3.27Å
202V92.6Very high89Confident2 Ų265.6 Ų65.61%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-124.9122.9170.3179.10000107.3R190 I191 E192 L199 D209 A212 L213R190-V202 HydrophobicContact CG-CG1 3.94Å; I191-V202 CarbonylContact O-C 3.58Å; I191-V202 VanDerWaalsContact O-CA 3.28Å; I191-V202 WeakPolarHBondContact O-CA 3.25Å; E192-V202 HydrophobicContact CG-CG2 4.27Å; L199-V202 HydrophobicContact CD1-CG2 4.4Å; L199-V202 HydrophobicContact CD2-CG2 3.94Å; L199-V202 HydrophobicContact CG-CG2 4.4Å; V202-D209 PolarHBondContact O-N 2.82Å; V202-A212 HydrophobicContact CB-CB 4.38Å; V202-A212 HydrophobicContact CG1-CB 3.88Å; V202-L213 HydrophobicContact CB-CB 4.29Å; V202-L213 HydrophobicContact CG2-CB 4.15Å; V202-L213 HydrophobicContact CG2-CD1 3.94Å
203L91.7Very high88.8Confident28 Ų2867.1 Ų67.115%0.14737%0.371CS..EExtended strand (participates in β ladder)trans-108.9129.7176.2-56.190.2000109.5R190 I191 I193 V207 E208R190-L203 CarbonylContact C-O 3.46Å; R190-L203 WeakPolarHBondContact CA-O 3.27Å; I191-L203 HydrophobicContact CB-CB 4.22Å; I191-L203 HydrophobicContact CB-CD1 4.12Å; I191-L203 HydrophobicContact CG2-CD1 4.29Å; I191-L203 PolarHBondContact N-O 2.93Å; I191-L203 PolarHBondContact O-N 2.74Å; I193-L203 HydrophobicContact CD1-CD1 3.74Å; I193-L203 HydrophobicContact CG1-CD1 4.05Å; L203-V207 CarbonylContact C-O 3.56Å; L203-V207 VanDerWaalsContact CA-O 3.26Å; L203-V207 WeakPolarHBondContact CA-O 3.5Å; L203-E208 HydrophobicContact CD2-CG 4.2Å; L203-E208 HydrophobicContact CG-CG 4.04Å
204I90.4Very high88.6Confident55 Ų5567.8 Ų67.828%0.28238%0.383SS..EExtended strand (participates in β ladder)trans-111.2117.9172.1-62.2178000107.9E189 G206 V207 D209 A212E189-I204 CarbonylContact O-C 3.56Å; E189-I204 WeakPolarHBondContact O-CA 3.37Å; I204-G206 PolarHBondContact O-N 2.88Å; I204-G206 VanDerWaalsContact O-N 3.17Å; I204-V207 PolarHBondContact N-O 2.93Å; I204-V207 PolarHBondContact O-N 3.44Å; I204-V207 VanDerWaalsContact O-N 3.09Å; I204-D209 HydrophobicContact CD1-CB 4.04Å; I204-D209 WeakPolarHBondContact CD1-OD2 3.28Å; I204-D209 HydrophobicContact CG1-CB 4.23Å; I204-A212 HydrophobicContact CD1-CB 3.77Å
205N85.9Confident88.5Confident99 Ų9971.5 Ų71.553%0.52940%0.402SS..THydrogen-bonded Turntrans5331.7-174.5-53.4-42.2000113.5E189E189-N205 PolarHBondContact N-OD1 3.02Å; E189-N205 PolarHBondContact O-N 3.11Å
206G84Confident88.2Confident53 Ų5368.3 Ų68.355%0.54639%0.387SS..THydrogen-bonded Turntrans87.30.4179.500000115.4I204I204-G206 PolarHBondContact O-N 2.88Å; I204-G206 VanDerWaalsContact O-N 3.17Å
207V89.7Confident88.3Confident103 Ų10367.2 Ų67.262%0.62438%0.381SS*.EExtended strand (participates in β ladder)trans-104.7131.6173.9-176.30000109L203 I204 D209L203-V207 CarbonylContact C-O 3.56Å; L203-V207 VanDerWaalsContact CA-O 3.26Å; L203-V207 WeakPolarHBondContact CA-O 3.5Å; I204-V207 PolarHBondContact N-O 2.93Å; I204-V207 PolarHBondContact O-N 3.44Å; I204-V207 VanDerWaalsContact O-N 3.09Å; V207-D209 PolarHBondContact O-N 3.43Å
208E90Very high88.5Confident140 Ų14068.1 Ų68.165%0.65438%0.378SS*.EExtended strand (participates in β ladder)trans-62132173.9-69.5178.9173.900110.4L203L203-E208 HydrophobicContact CD2-CG 4.2Å; L203-E208 HydrophobicContact CG-CG 4.04Å
209D90.2Very high88.4Confident58 Ų5870.7 Ų70.731%0.3138%0.379SS..  trans-124100.3-179.7-170.9-37.5000109.2V202 I204 V207 M211 A212 L213V202-D209 PolarHBondContact O-N 2.82Å; I204-D209 HydrophobicContact CD1-CB 4.04Å; I204-D209 WeakPolarHBondContact CD1-OD2 3.28Å; I204-D209 HydrophobicContact CG1-CB 4.23Å; V207-D209 PolarHBondContact O-N 3.43Å; D209-M211 VanDerWaalsContact C-N 3.28Å; D209-M211 PolarHBondContact O-N 3.05Å; D209-M211 WeakPolarHBondContact OD1-CB 3.27Å; D209-M211 PolarHBondContact OD1-N 2.9Å; D209-A212 HydrophobicContact CB-CB 3.83Å; D209-A212 PolarHBondContact O-N 3.26Å; D209-A212 PolarHBondContact OD1-N 3.02Å; D209-L213 PolarHBondContact O-N 3.37Å
210E88.6Confident88.1Confident167 Ų16773 Ų7378%0.7839%0.387SS*.Hα-helixtrans-64.9-31.5-179.1-62.8-175.616500112.4L213 A214E210-L213 PolarHBondContact O-N 3.29Å; E210-A214 WeakPolarHBondContact O-CB 3.29Å; E210-A214 PolarHBondContact O-N 2.98Å
211M87.2Confident87.3Confident134 Ų13474.2 Ų74.266%0.6639%0.394SS*.Hα-helixtrans-71-41.3177.3-173.5177.7166.900110.3D209 L213 A214 M215D209-M211 VanDerWaalsContact C-N 3.28Å; D209-M211 PolarHBondContact O-N 3.05Å; D209-M211 WeakPolarHBondContact OD1-CB 3.27Å; D209-M211 PolarHBondContact OD1-N 2.9Å; M211-L213 VanDerWaalsContact C-N 3.34Å; M211-A214 PolarHBondContact O-N 2.85Å; M211-M215 HydrophobicContact CE-CE 4.48Å; M211-M215 HydrophobicContact CE-SD 4.44Å; M211-M215 HydrophobicContact CG-CE 4.18Å; M211-M215 WeakPolarHBondContact O-CB 3.33Å; M211-M215 WeakPolarHBondContact O-CG 3.44Å; M211-M215 PolarHBondContact O-N 3.36Å
212A86.9Confident86.1Confident6 Ų675.5 Ų75.55%0.0541%0.411CS..Hα-helixtrans-65.8-36.3173.500000112.3V202 I204 D209 E216V202-A212 HydrophobicContact CB-CB 4.38Å; V202-A212 HydrophobicContact CG1-CB 3.88Å; I204-A212 HydrophobicContact CD1-CB 3.77Å; D209-A212 HydrophobicContact CB-CB 3.83Å; D209-A212 PolarHBondContact O-N 3.26Å; D209-A212 PolarHBondContact OD1-N 3.02Å; A212-E216 VanDerWaalsContact O-CB 3.3Å; A212-E216 WeakPolarHBondContact O-CB 3.5Å; A212-E216 PolarHBondContact O-N 2.98Å; A212-E216 VanDerWaalsContact O-N 3.1Å
213L89.3Confident84.3Confident35 Ų3582.6 Ų82.618%0.18344%0.444CS..Hα-helixtrans-62.5-50172178.465.5000111.3L199 K200 V202 D209 E210 M211 M215 E216 L217L199-L213 HydrophobicContact CD2-CD1 3.85Å; L199-L213 HydrophobicContact CG-CD1 3.77Å; K200-L213 WeakPolarHBondContact O-CD2 3.43Å; V202-L213 HydrophobicContact CB-CB 4.29Å; V202-L213 HydrophobicContact CG2-CB 4.15Å; V202-L213 HydrophobicContact CG2-CD1 3.94Å; D209-L213 PolarHBondContact O-N 3.37Å; E210-L213 PolarHBondContact O-N 3.29Å; M211-L213 VanDerWaalsContact C-N 3.34Å; L213-M215 PolarHBondContact O-N 2.9Å; L213-E216 PolarHBondContact O-N 3.33Å; L213-L217 HydrophobicContact CD1-CD1 4.23Å; L213-L217 HydrophobicContact CD1-CG 4.33Å; L213-L217 HydrophobicContact CG-CD1 4.05Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 3.3Å
214A87.1Confident82.4Confident57 Ų5789.7 Ų89.747%0.47147%0.474SS..Hα-helixtrans-62.6-43.3-179.800000112.6E210 M211 E216 L217 S218E210-A214 WeakPolarHBondContact O-CB 3.29Å; E210-A214 PolarHBondContact O-N 2.98Å; M211-A214 PolarHBondContact O-N 2.85Å; A214-E216 VanDerWaalsContact C-N 3.32Å; A214-E216 PolarHBondContact O-N 3.49Å; A214-L217 PolarHBondContact O-N 3.03Å; A214-S218 WeakPolarHBondContact O-CB 3.19Å; A214-S218 PolarHBondContact O-N 3.28Å
215M88.6Confident80Confident113 Ų11391.8 Ų91.856%0.55749%0.493SS*.Hα-helixtrans-61.4-40.8175.1-74-172.1-6700112M211 L213 R219M211-M215 HydrophobicContact CE-CE 4.48Å; M211-M215 HydrophobicContact CE-SD 4.44Å; M211-M215 HydrophobicContact CG-CE 4.18Å; M211-M215 WeakPolarHBondContact O-CB 3.33Å; M211-M215 WeakPolarHBondContact O-CG 3.44Å; M211-M215 PolarHBondContact O-N 3.36Å; L213-M215 PolarHBondContact O-N 2.9Å; M215-R219 PolarHBondContact O-N 3.34Å
216E86Confident78Confident4 Ų492.2 Ų92.22%0.01950%0.504CS..Hα-helixtrans-71.1-38.6179.2-169.965.7-152.500112.2R190 L199 A212 L213 A214 R219 R220R190-E216 IonicContact CZ-OE2 3.35Å; R190-E216 IonicContact NH1-OE2 2.62Å; R190-E216 PolarHBondContact NH1-OE2 2.95Å; R190-E216 IonicContact NH2-OE2 3.46Å; R190-E216 PolarHBondContact NH2-OE2 2.79Å; L199-E216 HydrophobicContact CD2-CB 3.7Å; L199-E216 HydrophobicContact CD2-CG 3.32Å; A212-E216 VanDerWaalsContact O-CB 3.3Å; A212-E216 WeakPolarHBondContact O-CB 3.5Å; A212-E216 PolarHBondContact O-N 2.98Å; A212-E216 VanDerWaalsContact O-N 3.1Å; L213-E216 PolarHBondContact O-N 3.33Å; A214-E216 VanDerWaalsContact C-N 3.32Å; A214-E216 PolarHBondContact O-N 3.49Å; E216-R219 VanDerWaalsContact CD-NH1 3.3Å; E216-R219 PolarHBondContact O-N 2.92Å; E216-R219 IonicContact OE1-CZ 2.93Å; E216-R219 IonicContact OE1-NH1 3.54Å; E216-R219 PolarHBondContact OE1-NH1 3.03Å; E216-R219 VanDerWaalsContact OE1-NH1 3.16Å; E216-R219 IonicContact OE1-NH2 3.41Å; E216-R219 PolarHBondContact OE1-NH2 3.42Å; E216-R219 IonicContact OE2-CZ 3.78Å; E216-R219 IonicContact OE2-NH1 2.79Å; E216-R219 PolarHBondContact OE2-NH1 3.46Å; E216-R219 IonicContact OE2-NH2 2.82Å; E216-R220 VanDerWaalsContact O-CG 3.26Å; E216-R220 WeakPolarHBondContact O-CG 3.42Å; E216-R220 PolarHBondContact O-N 3.03Å; E216-R220 VanDerWaalsContact O-N 3.08Å; E216-R220 IonicContact OE1-CZ 3.23Å; E216-R220 IonicContact OE1-NE 3.48Å; E216-R220 PolarHBondContact OE1-NE 3.29Å; E216-R220 IonicContact OE1-NH2 2.84Å
217L87.6Confident76Confident72 Ų7298.4 Ų98.438%0.37752%0.519SS..Hα-helixtrans-61.3-47.5173-75.4172.3000111.1L199 L213 A214 R219 R220 E221L199-L217 HydrophobicContact CB-CD2 4Å; L213-L217 HydrophobicContact CD1-CD1 4.23Å; L213-L217 HydrophobicContact CD1-CG 4.33Å; L213-L217 HydrophobicContact CG-CD1 4.05Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 3.3Å; A214-L217 PolarHBondContact O-N 3.03Å; L217-R219 VanDerWaalsContact C-N 3.34Å; L217-R219 PolarHBondContact O-N 3.32Å; L217-R220 PolarHBondContact O-N 2.88Å; L217-E221 WeakPolarHBondContact O-CB 3.18Å; L217-E221 PolarHBondContact O-N 3.35Å
218S85.4Confident73.3Confident79 Ų79103 Ų10355%0.55253%0.531SS*.Hα-helixtrans-61.6-40.7177.5-177.30000112.2A214 R220 E221 G222A214-S218 WeakPolarHBondContact O-CB 3.19Å; A214-S218 PolarHBondContact O-N 3.28Å; S218-R220 VanDerWaalsContact C-N 3.34Å; S218-R220 PolarHBondContact O-N 2.95Å; S218-E221 PolarHBondContact O-N 3.35Å; S218-G222 PolarHBondContact O-N 3.37Å; S218-G222 VanDerWaalsContact O-N 3.08Å
219R86.4Confident70.7Confident135 Ų135101.6 Ų101.651%0.50953%0.533SS..Hα-helixtrans-60-43.8175-164.7-177.789.2-132.1-8111.9M215 E216 L217 E221M215-R219 PolarHBondContact O-N 3.34Å; E216-R219 VanDerWaalsContact CD-NH1 3.3Å; E216-R219 PolarHBondContact O-N 2.92Å; E216-R219 IonicContact OE1-CZ 2.93Å; E216-R219 IonicContact OE1-NH1 3.54Å; E216-R219 PolarHBondContact OE1-NH1 3.03Å; E216-R219 VanDerWaalsContact OE1-NH1 3.16Å; E216-R219 IonicContact OE1-NH2 3.41Å; E216-R219 PolarHBondContact OE1-NH2 3.42Å; E216-R219 IonicContact OE2-CZ 3.78Å; E216-R219 IonicContact OE2-NH1 2.79Å; E216-R219 PolarHBondContact OE2-NH1 3.46Å; E216-R219 IonicContact OE2-NH2 2.82Å; L217-R219 VanDerWaalsContact C-N 3.34Å; L217-R219 PolarHBondContact O-N 3.32Å; R219-E221 VanDerWaalsContact C-N 3.34Å
220R82.3Confident68Low55 Ų55104 Ų10421%0.20855%0.554CS.*Hα-helixtrans-73.3-25.6-179.3-68.4170.6-178.4-145.45.2113E192 E194 E216 L217 S218E192-R220 IonicContact OE2-NH2 2.82Å; E192-R220 PolarHBondContact OE2-NH2 3.35Å; E194-R220 IonicContact OE1-CZ 2.75Å; E194-R220 VanDerWaalsContact OE1-CZ 3.22Å; E194-R220 IonicContact OE1-NH1 3.53Å; E194-R220 PolarHBondContact OE1-NH1 3.44Å; E194-R220 IonicContact OE1-NH2 3.16Å; E194-R220 PolarHBondContact OE1-NH2 3.03Å; E216-R220 VanDerWaalsContact O-CG 3.26Å; E216-R220 WeakPolarHBondContact O-CG 3.42Å; E216-R220 PolarHBondContact O-N 3.03Å; E216-R220 VanDerWaalsContact O-N 3.08Å; E216-R220 IonicContact OE1-CZ 3.23Å; E216-R220 IonicContact OE1-NE 3.48Å; E216-R220 PolarHBondContact OE1-NE 3.29Å; E216-R220 IonicContact OE1-NH2 2.84Å; L217-R220 PolarHBondContact O-N 2.88Å; S218-R220 VanDerWaalsContact C-N 3.34Å; S218-R220 PolarHBondContact O-N 2.95Å
221E75.3Confident65.6Low143 Ų143103.1 Ų103.167%0.66855%0.553SS**Hα-helixtrans-76.6-40176-170.2176-175.600112L217 S218 R219 E223 K224L217-E221 WeakPolarHBondContact O-CB 3.18Å; L217-E221 PolarHBondContact O-N 3.35Å; S218-E221 PolarHBondContact O-N 3.35Å; R219-E221 VanDerWaalsContact C-N 3.34Å; E221-E223 PolarHBondContact O-N 3.42Å; E221-K224 PolarHBondContact O-N 2.84Å
222G63Low63.2Low48 Ų48105.1 Ų105.150%0.49556%0.563SS.*Hα-helixtrans-60.6-25.2176.300000114.4S218 S225S218-G222 PolarHBondContact O-N 3.37Å; S218-G222 VanDerWaalsContact O-N 3.08Å; G222-S225 PolarHBondContact O-OG 2.72Å
223E53.7Low60.8Low151 Ų151112.1 Ų112.171%0.70660%0.6SS**THydrogen-bonded Turntrans-79.4-18174.6-69.8180149.700113.2E221E221-E223 PolarHBondContact O-N 3.42Å
224K52.1Low58.1Low176 Ų176114.4 Ų114.477%0.76563%0.632SS**THydrogen-bonded Turntrans-89.3-16.6179.8-74.9-177.6178.6179.60114.1E221 S226E221-K224 PolarHBondContact O-N 2.84Å; K224-S226 VanDerWaalsContact C-N 3.32Å; K224-S226 PolarHBondContact O-N 3.33Å
225S41.3Very low55.5Low99 Ų99117.5 Ų117.569%0.69265%0.65SS**THydrogen-bonded Turntrans-82.25.8-174.359.20000115.9G222G222-S225 PolarHBondContact O-OG 2.72Å
226S42.8Very low52.9Low108 Ų108116.2 Ų116.276%0.75566%0.657SS**THydrogen-bonded Turntrans-100.17.7-178.7-65.90000115.9K224K224-S226 VanDerWaalsContact C-N 3.32Å; K224-S226 PolarHBondContact O-N 3.33Å
227Q41.9Very low50.4Low184 Ų184126.6 Ų126.686%0.8670%0.696SS**  trans-106.486.2171.3-72.4-165.7-22.800111.5P229Q227-P229 WeakPolarHBondContact O-CD 3.48Å
228K32.8Very low47.8Very low200 Ų200128.3 Ų128.387%0.8771%0.706SS**  trans-80.8117.4162.3-171.3177.6-175.9178.50108.2S230K228-S230 PolarHBondContact O-N 3.19Å
229P35.9Very low45.3Very low110 Ų110134.4 Ų134.471%0.71472%0.718SS**  trans-71.5119.2177.726.4-30.3000110.1Q227 I231Q227-P229 WeakPolarHBondContact O-CD 3.48Å; P229-I231 PolarHBondContact O-N 2.71Å
230S34.2Very low42.7Very low107 Ų107134 Ų13475%0.74873%0.726SS**  trans-76.5109.216671.60000108.6K228 M232K228-S230 PolarHBondContact O-N 3.19Å; S230-M232 PolarHBondContact O-N 3.14Å; S230-M232 VanDerWaalsContact O-N 3.14Å
231I38.4Very low40.4Very low149 Ų149141.1 Ų141.176%0.76475%0.753SS**  trans-67110.2168.7-61.9177000107.3P229 N233P229-I231 PolarHBondContact O-N 2.71Å; I231-N233 PolarHBondContact O-N 3.16Å
232M35.1Very low38.4Very low176 Ų176139.9 Ų139.987%0.86776%0.76SS**  trans-76.9103.4169.2-65.6-178.510000108.3S230 G234S230-M232 PolarHBondContact O-N 3.14Å; S230-M232 VanDerWaalsContact O-N 3.14Å; M232-G234 PolarHBondContact O-N 2.87Å
233N36.9Very low37Very low154 Ų154141.3 Ų141.382%0.82477%0.767SS**  trans-81.5110162.9-87.1-9.8000108.8I231I231-N233 PolarHBondContact O-N 3.16Å
234G32.8Very low36.2Very low82 Ų82140.6 Ų140.685%0.84577%0.773SS**  trans-74125168.100000110.6M232M232-G234 PolarHBondContact O-N 2.87Å
235S32.7Very low36.3Very low123 Ų123137.2 Ų137.286%0.8677%0.77SS**  trans-115.6109.4163.363.30000108.8
236A33.8Very low35.9Very low85 Ų85141.3 Ų141.370%0.70278%0.777SS**  trans-99.2127.8168.900000109.5
237R34.7Very low35.5Very low223 Ų223146.8 Ų146.884%0.84278%0.781SS**  trans73.1138.2145.4-66.4179.3-172.8168.81.8116.2
238D32.6Very low35.1Very low107 Ų107142.3 Ų142.357%0.57277%0.77SS**  cis-177152.514.9-118.6-26.8000110.3
239Y33.4Very low35.2Very low208 Ų208142.2 Ų142.282%0.81677%0.771SS**  trans57.1143.9160.3-57.8-70000119.9
240D31.2Very low35.3Very low126 Ų126141.8 Ų141.867%0.67477%0.77SS**  cis-161.8153.416.8-168.612.5000110.8
241R33.2Very low35.3Very low204 Ų204141.3 Ų141.377%0.7777%0.772SS**  trans45.7123149.4-99.1173169.4157.8-1.1125.7
242S33.6Very low35.2Very low117 Ų117138.7 Ų138.782%0.81877%0.773SS**  90.3143.9120.975.80000120
243A33.3Very low36.3Very low79 Ų79135.9 Ų135.965%0.65377%0.768SS**  trans-108.5139-154.300000113.3
244T38.1Very low35.9Very low135 Ų135134.5 Ų134.583%0.82877%0.77SS**  trans74.7164.9144.369.10000119.5
245P52.8Low36.2Very low106 Ų106140.7 Ų140.769%0.68877%0.77SS**  -136.1146.4-64.637.9-21.4000112.5
246H34.7Very low36.2Very low185 Ų185143 Ų14386%0.85677%0.773SS**  trans-142.6109.1166.6-90.9-99.9000108.6
247R32.7Very low36.2Very low222 Ų222147.1 Ų147.184%0.83878%0.777SS**  72.396.584.3-155.8-179.2-159.4-150.96.3113.2
248S35Very low35.9Very low90 Ų90140.8 Ų140.863%0.62977%0.772SS**  trans57.5129.2141.6-44.80000119.1
249F34.8Very low36Very low199 Ų199139.9 Ų139.987%0.87378%0.779SS**  -178.1149.696.9-104.9-86.3000111.8
250S36.8Very low36Very low101 Ų101136.7 Ų136.771%0.70678%0.782SS**  trans-48.1153.4174.950.90000117.4
251A34.1Very low36Very low96 Ų96134.4 Ų134.479%0.79379%0.788SS**  136.4116.6120.300000113.3
252A37.8Very low36Very low94 Ų94131.5 Ų131.578%0.77779%0.788SS**  trans-77.4-175.7156.300000109.8
253P56.9Low36.4Very low117 Ų117131 Ų13176%0.7678%0.784SS**  cis-125.1167.7-46.532.3-16.2000110.9
254S29.6Very low37.1Very low125 Ų125134.2 Ų134.287%0.87479%0.786SS**  trans178.7143.6140.429.40000113.2
255Y39.6Very low37.5Very low213 Ų213135.5 Ų135.584%0.83579%0.788SS**  trans-63148.1-177.3-96-109000114.6
256N31.9Very low37.5Very low172 Ų172137.8 Ų137.892%0.9279%0.789SS**  trans-160.9142.7130.8-100.7-37.1000112.3
257H33.4Very low38.4Very low171 Ų171135.8 Ų135.879%0.79278%0.78SS**  trans-84142.5-170.5-121-87.3000112.7
258A27.9Very low39.4Very low89 Ų89131.3 Ų131.374%0.73677%0.773SS**  160.1123.6109.600000114.3
259A35.3Very low40.4Very low88 Ų88132 Ų13273%0.72777%0.77SS**  trans63.7113.6147.200000121.2
260T32.5Very low41.6Very low141 Ų141128 Ų12887%0.86575%0.754SS**  171.3130.398.642.80000112.9
261G32.3Very low42.7Very low79 Ų79128.3 Ų128.381%0.81475%0.747SS**  trans71.5143.7157.900000115.9
262D32.1Very low44.4Very low142 Ų142129 Ų12976%0.75974%0.737SS**  cis-167.4142.510.4-167.622.4000104.8
263S43.1Very low45.8Very low107 Ų107131.1 Ų131.175%0.74873%0.731SS**  trans-117.7104.1-171.252.10000109.5
264E46.9Very low46.5Very low147 Ų147131.1 Ų131.169%0.68772%0.722SS**  trans-140.881.6174.4-65.4-174.1165.300108.2
265D47.4Very low48.5Very low161 Ų161127.7 Ų127.786%0.86170%0.702SS**SBendtrans-152.931.7167.1-81.1-45.1000109.9
266E53.8Low50.2Low155 Ų155123.2 Ų123.272%0.72469%0.691SS**SBendtrans-121.3-7179.2-76.317416600113.6E270E266-E270 WeakPolarHBondContact O-CG 3.48Å
267E51.6Low52.2Low143 Ų143117.7 Ų117.767%0.66867%0.67SS**Hα-helixtrans-76.4-24.5-177.5-67.8-171.7171.200114.2D269 E270E267-D269 VanDerWaalsContact C-N 3.34Å; E267-D269 PolarHBondContact O-N 3.06Å; E267-E270 WeakPolarHBondContact O-CG 3.5Å
268D53.9Low54Low127 Ų127113.3 Ų113.368%0.67966%0.657SS**Hα-helixtrans-72.6-26.8-177.2-77.1-37.3000113.1L272D268-L272 WeakPolarHBondContact O-CD1 3.47Å; D268-L272 PolarHBondContact O-N 2.9Å
269D56.7Low56.3Low106 Ų106112.1 Ų112.157%0.56764%0.644SS**Hα-helixtrans-81.3-27-178.1-78.2-24.2000112.4E267 Q273E267-D269 VanDerWaalsContact C-N 3.34Å; E267-D269 PolarHBondContact O-N 3.06Å; D269-Q273 WeakPolarHBondContact O-CB 3.43Å; D269-Q273 VanDerWaalsContact O-CG 3.24Å; D269-Q273 WeakPolarHBondContact O-CG 3.39Å; D269-Q273 PolarHBondContact O-N 3.5Å; D269-Q273 VanDerWaalsContact O-N 3.13Å; D269-Q273 PolarHBondContact O-NE2 2.96Å
270E59.4Low58Low115 Ų115113.9 Ų113.954%0.53764%0.64SS.*Hα-helixtrans-78.6-36.5178.318.9-173163.900112.2E266 E267 Q273 M274E266-E270 WeakPolarHBondContact O-CG 3.48Å; E267-E270 WeakPolarHBondContact O-CG 3.5Å; E270-Q273 PolarHBondContact O-N 3.13Å; E270-M274 VanDerWaalsContact O-CB 3.24Å; E270-M274 WeakPolarHBondContact O-CB 3.26Å; E270-M274 PolarHBondContact O-N 3.2Å
271D61.6Low59.9Low107 Ų107110.9 Ų110.957%0.57263%0.625SS**Hα-helixtrans-66.9-38173.9-83.5-11.3000112.1M274 A275D271-M274 PolarHBondContact O-N 2.98Å; D271-A275 VanDerWaalsContact O-CB 3.29Å; D271-A275 WeakPolarHBondContact O-CB 3.49Å; D271-A275 PolarHBondContact O-N 2.97Å
272L68.6Low61.8Low111 Ų111113 Ų11358%0.58161%0.614SS**Hα-helixtrans-66.6-40.4173.6-82.9165.8000112.1D268 L276D268-L272 WeakPolarHBondContact O-CD1 3.47Å; D268-L272 PolarHBondContact O-N 2.9Å; L272-L276 WeakPolarHBondContact O-CG 3.48Å; L272-L276 PolarHBondContact O-N 2.7Å
273Q68Low63.3Low138 Ų138111.7 Ų111.765%0.64560%0.604SS**Hα-helixtrans-67.5-39.5174.9-76.2174.542.600111.9D269 E270 L276 A277D269-Q273 WeakPolarHBondContact O-CB 3.43Å; D269-Q273 VanDerWaalsContact O-CG 3.24Å; D269-Q273 WeakPolarHBondContact O-CG 3.39Å; D269-Q273 PolarHBondContact O-N 3.5Å; D269-Q273 VanDerWaalsContact O-N 3.13Å; D269-Q273 PolarHBondContact O-NE2 2.96Å; E270-Q273 PolarHBondContact O-N 3.13Å; Q273-L276 PolarHBondContact O-N 3.13Å; Q273-A277 WeakPolarHBondContact O-CB 3.42Å; Q273-A277 PolarHBondContact O-N 3.45Å
274M70.2Confident64.4Low116 Ų116112.3 Ų112.357%0.57160%0.596SS**Hα-helixtrans-68.8-38.6177.8-170.3125.859.700112E270 D271 A277 C278E270-M274 VanDerWaalsContact O-CB 3.24Å; E270-M274 WeakPolarHBondContact O-CB 3.26Å; E270-M274 PolarHBondContact O-N 3.2Å; D271-M274 PolarHBondContact O-N 2.98Å; M274-A277 PolarHBondContact O-N 2.92Å; M274-C278 WeakPolarHBondContact O-CB 3.45Å; M274-C278 PolarHBondContact O-N 3.05Å; M274-C278 PolarHBondContact O-SG 2.7Å; M274-C278 VanDerWaalsContact O-SG 3.36Å
275A72.5Confident65.3Low54 Ų54107.6 Ų107.645%0.44658%0.582SS.*Hα-helixtrans-64.9-39175.500000112.8D271 S279D271-A275 VanDerWaalsContact O-CB 3.29Å; D271-A275 WeakPolarHBondContact O-CB 3.49Å; D271-A275 PolarHBondContact O-N 2.97Å; A275-S279 PolarHBondContact O-N 3.16Å; A275-S279 VanDerWaalsContact O-N 3.07Å; A275-S279 PolarHBondContact O-OG 3.22Å
276L75.6Confident65.9Low118 Ų118105.5 Ų105.562%0.61857%0.567SS**Hα-helixtrans-68.9-39.3174.8-72.3172.8000111.9L272 Q273 S279 L280L272-L276 WeakPolarHBondContact O-CG 3.48Å; L272-L276 PolarHBondContact O-N 2.7Å; Q273-L276 PolarHBondContact O-N 3.13Å; L276-S279 PolarHBondContact O-N 3.28Å; L276-L280 PolarHBondContact O-N 3.08Å
277A74.6Confident66.1Low57 Ų57104.4 Ų104.447%0.47156%0.562SS.*Hα-helixtrans-64.7-42.7175.700000112.2Q273 M274 L280 S281Q273-A277 WeakPolarHBondContact O-CB 3.42Å; Q273-A277 PolarHBondContact O-N 3.45Å; M274-A277 PolarHBondContact O-N 2.92Å; A277-L280 PolarHBondContact O-N 3.49Å; A277-S281 WeakPolarHBondContact O-CB 3.43Å; A277-S281 PolarHBondContact O-N 2.97Å
278C70.1Confident66.4Low78 Ų78104.1 Ų104.153%0.52756%0.558SS.*Hα-helixtrans-61.9-44.2175.1-75.70000111.8M274 L280 S281 E282M274-C278 WeakPolarHBondContact O-CB 3.45Å; M274-C278 PolarHBondContact O-N 3.05Å; M274-C278 PolarHBondContact O-SG 2.7Å; M274-C278 VanDerWaalsContact O-SG 3.36Å; C278-L280 PolarHBondContact O-N 3.26Å; C278-S281 PolarHBondContact O-N 2.79Å; C278-E282 WeakPolarHBondContact O-CB 3.48Å; C278-E282 PolarHBondContact O-N 3.23Å
279S75.4Confident66.5Low64 Ų64105.1 Ų105.145%0.44856%0.559SS.*Hα-helixtrans-65.3-38.4179-62.20000112.7A275 L276 M283A275-S279 PolarHBondContact O-N 3.16Å; A275-S279 VanDerWaalsContact O-N 3.07Å; A275-S279 PolarHBondContact O-OG 3.22Å; L276-S279 PolarHBondContact O-N 3.28Å; S279-M283 WeakPolarHBondContact O-CB 3.11Å; S279-M283 PolarHBondContact O-N 3.44Å
280L72.4Confident66.4Low125 Ų125104.3 Ų104.365%0.65456%0.562SS**Hα-helixtrans-67.7-41.3175.7-79.5170.2000111.9L276 A277 C278 M283 E284L276-L280 PolarHBondContact O-N 3.08Å; A277-L280 PolarHBondContact O-N 3.49Å; C278-L280 PolarHBondContact O-N 3.26Å; L280-M283 PolarHBondContact O-N 3.12Å; L280-E284 PolarHBondContact O-N 3.35Å
281S71.4Confident65.9Low78 Ų78102.8 Ų102.855%0.54556%0.564SS.*Hα-helixtrans-68.6-33.9178.7-165.90000112.7A277 C278 A285A277-S281 WeakPolarHBondContact O-CB 3.43Å; A277-S281 PolarHBondContact O-N 2.97Å; C278-S281 PolarHBondContact O-N 2.79Å; S281-A285 WeakPolarHBondContact O-CB 3.37Å; S281-A285 PolarHBondContact O-N 2.88Å
282E73.5Confident65.4Low123 Ų123103.1 Ų103.158%0.57557%0.57SS**Hα-helixtrans-69-39.1175.5-173.7171-178.500111.7C278 A285 Q286C278-E282 WeakPolarHBondContact O-CB 3.48Å; C278-E282 PolarHBondContact O-N 3.23Å; E282-A285 PolarHBondContact O-N 3.21Å; E282-Q286 WeakPolarHBondContact O-CG 3.47Å; E282-Q286 PolarHBondContact O-N 2.96Å; E282-Q286 VanDerWaalsContact O-N 3.1Å
283M62.5Low64.4Low115 Ų115103.2 Ų103.257%0.56758%0.575SS**Hα-helixtrans-70.1-35.1177.8-147.9175.1-69.400112.1S279 L280 Q287S279-M283 WeakPolarHBondContact O-CB 3.11Å; S279-M283 PolarHBondContact O-N 3.44Å; L280-M283 PolarHBondContact O-N 3.12Å; M283-Q287 WeakPolarHBondContact O-CG 3.18Å; M283-Q287 PolarHBondContact O-N 3.45Å
284E66.6Low63.3Low121 Ų121106 Ų10657%0.56559%0.586SS**Hα-helixtrans-71.1-37.4173.7-167.1-178.6166.300111.9L280 Q286 Q287 K288L280-E284 PolarHBondContact O-N 3.35Å; E284-Q286 PolarHBondContact O-N 2.61Å; E284-Q287 PolarHBondContact O-N 3Å; E284-K288 PolarHBondContact O-N 3.25Å
285A64.6Low62.2Low48 Ų48106.9 Ų106.940%0.39759%0.591SS.*Hα-helixtrans-61.8-41.8174.600000111.8S281 E282 Q287 K288 E289S281-A285 WeakPolarHBondContact O-CB 3.37Å; S281-A285 PolarHBondContact O-N 2.88Å; E282-A285 PolarHBondContact O-N 3.21Å; A285-Q287 PolarHBondContact O-N 2.93Å; A285-K288 PolarHBondContact O-N 3.06Å; A285-E289 WeakPolarHBondContact O-CG 3.08Å; A285-E289 PolarHBondContact O-N 3.42Å
286Q60Low61Low117 Ų117108.4 Ų108.455%0.54760%0.597SS.*Hα-helixtrans-68.5-31.4176.6-70.5174.415.500113.2E282 E284 S290E282-Q286 WeakPolarHBondContact O-CG 3.47Å; E282-Q286 PolarHBondContact O-N 2.96Å; E282-Q286 VanDerWaalsContact O-N 3.1Å; E284-Q286 PolarHBondContact O-N 2.61Å; Q286-S290 PolarHBondContact O-N 3.46Å; Q286-S290 VanDerWaalsContact O-N 3.17Å; Q286-S290 PolarHBondContact O-OG 2.74Å
287Q59.4Low59.6Low132 Ų132110.1 Ų110.162%0.61761%0.606SS**Hα-helixtrans-73.3-30173-72.7-176.218.400112.8M283 E284 A285 S290 S291M283-Q287 WeakPolarHBondContact O-CG 3.18Å; M283-Q287 PolarHBondContact O-N 3.45Å; E284-Q287 PolarHBondContact O-N 3Å; A285-Q287 PolarHBondContact O-N 2.93Å; Q287-S290 WeakPolarHBondContact CA-OG 3.4Å; Q287-S290 PolarHBondContact O-OG 2.68Å; Q287-S291 PolarHBondContact O-N 3.24Å; Q287-S291 PolarHBondContact O-OG 3.42Å
288K58.3Low58.6Low136 Ų136111.8 Ų111.859%0.59161%0.614SS**Hα-helixtrans-76.6-35174.9-125.4168.6-175.5162.90112.8E284 A285 S291 T292E284-K288 PolarHBondContact O-N 3.25Å; A285-K288 PolarHBondContact O-N 3.06Å; K288-S291 WeakPolarHBondContact CA-OG 3.23Å; K288-S291 PolarHBondContact O-N 3.39Å; K288-S291 PolarHBondContact O-OG 3.35Å; K288-T292 PolarHBondContact O-N 2.88Å; K288-T292 PolarHBondContact O-OG1 2.86Å
289E54.7Low57.7Low148 Ų148114.8 Ų114.869%0.69263%0.625SS**Hα-helixtrans-71.2-35.7175.2-72.7-171.717600112.3A285 S291A285-E289 WeakPolarHBondContact O-CG 3.08Å; A285-E289 PolarHBondContact O-N 3.42Å; E289-S291 VanDerWaalsContact C-N 3.32Å; E289-S291 PolarHBondContact O-N 2.88Å
290S54.2Low56.3Low90 Ų90120.5 Ų120.563%0.62964%0.642SS**Hα-helixtrans-74.2-16175.554.50000114.7Q286 Q287Q286-S290 PolarHBondContact O-N 3.46Å; Q286-S290 VanDerWaalsContact O-N 3.17Å; Q286-S290 PolarHBondContact O-OG 2.74Å; Q287-S290 WeakPolarHBondContact CA-OG 3.4Å; Q287-S290 PolarHBondContact O-OG 2.68Å
291S49.2Very low55.3Low83 Ų83123.8 Ų123.858%0.5865%0.651SS**Hα-helixtrans-96.3-5.6176.9520000114.6Q287 K288 E289Q287-S291 PolarHBondContact O-N 3.24Å; Q287-S291 PolarHBondContact O-OG 3.42Å; K288-S291 WeakPolarHBondContact CA-OG 3.23Å; K288-S291 PolarHBondContact O-N 3.39Å; K288-S291 PolarHBondContact O-OG 3.35Å; E289-S291 VanDerWaalsContact C-N 3.32Å; E289-S291 PolarHBondContact O-N 2.88Å
292T52Low54.4Low114 Ų114124.7 Ų124.770%0.69966%0.663SS**SBendtrans-103.212-177.8-45.30000113.8K288K288-T292 PolarHBondContact O-N 2.88Å; K288-T292 PolarHBondContact O-OG1 2.86Å
293T48.1Very low52.9Low113 Ų113128.3 Ų128.369%0.69368%0.678SS**  trans-101.749.1168.1-24.50000111.8
294F43.5Very low52.2Low197 Ų197128.7 Ų128.786%0.86469%0.687SS**  trans-99.2100.7158.5-127.3-92.2000107.8
295I46.9Very low51.1Low133 Ų133132.4 Ų132.468%0.68273%0.726SS**  trans-59128.3175.6-62.9169.5000108D297I295-D297 PolarHBondContact O-N 3.29Å
296P48.3Very low50.5Low87 Ų87136.6 Ų136.657%0.56574%0.742SS**  trans-66.4130172.526.8-32.1000110S298P296-S298 PolarHBondContact O-N 3.27Å
297D46.3Very low50Low154 Ų154137.6 Ų137.682%0.82475%0.752SS**THydrogen-bonded Turntrans-6926.6-177.4-128.3-31.8000114.1I295I295-D297 PolarHBondContact O-N 3.29Å
298S53.2Low49.4Very low91 Ų91137.9 Ų137.964%0.63676%0.76SS**THydrogen-bonded Turntrans-90.2-7179.840.10000114.4P296P296-S298 PolarHBondContact O-N 3.27Å
299D51.3Low48.9Very low141 Ų141138.1 Ų138.175%0.75477%0.77SS**SBendtrans-103.22.9-177.2-77.7-30.6000115.5K301D299-K301 VanDerWaalsContact C-N 3.34Å; D299-K301 PolarHBondContact O-N 3.24Å
300F46.4Very low48.6Very low184 Ų184137.4 Ų137.481%0.80778%0.775SS**THydrogen-bonded Turntrans-84.33.2-179.9-154.7-99.8000115
301K50.8Low48.2Very low194 Ų194140.6 Ų140.684%0.84378%0.784SS**THydrogen-bonded Turntrans-110.922.6-172.1-127.4177.4-172.7177.70116.7D299D299-K301 VanDerWaalsContact C-N 3.34Å; D299-K301 PolarHBondContact O-N 3.24Å
302A53.1Low48.1Very low97 Ų97144.7 Ų144.780%0.80280%0.799SS**SBendtrans-112.14.9174.500000114.7
303F41.9Very low47.8Very low200 Ų200147.1 Ų147.188%0.87781%0.807SS**SBendtrans-112.88.8-177.8-143.1-96.8000115.3
304T48Very low47.8Very low123 Ų123149.9 Ų149.976%0.75582%0.816SS**  trans-138.676.2171.664.70000110.4
305S43.8Very low48.2Very low198 Ų198145.6 Ų145.6100%1.38581%0.812SS**  trans-121.30152.8-95.20000107.8

Retrieved 305 of 305 residues in 159.9 ms (Link to these results)

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