A0A087X2Y8_POEFO Loading...

Cyclic nucleotide gated channel subunit alpha 3

AlphaFold DB , UniProt , Accession A0A087X2Y8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 530 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
1M79.5Confident90.2Very high109 Ų10970.9 Ų70.954%0.53735%0.352SS..  0137.30-178.7-152.4161.200106.2R64 L73 V74 K75 L80M1-R64 CarbonylContact C-O 3.57Å; M1-R64 WeakPolarHBondContact CA-O 3.4Å; M1-R64 WeakPolarHBondContact CG-O 3.26Å; M1-L73 HydrophobicContact CE-CD1 4.4Å; M1-L73 HydrophobicContact CE-CD2 3.96Å; M1-L73 HydrophobicContact CE-CG 4.01Å; M1-V74 WeakPolarHBondContact CE-O 3.46Å; M1-K75 HydrophobicContact CE-CB 3.97Å; M1-K75 HydrophobicContact CE-CD 4.32Å; M1-K75 HydrophobicContact CE-CG 3.66Å; M1-K75 HydrophobicContact SD-CB 3.48Å; M1-K75 WeakPolarHBondContact SD-CB 3.17Å; M1-K75 HydrophobicContact SD-CD 3.79Å; M1-K75 HydrophobicContact SD-CG 3.54Å; M1-K75 VanDerWaalsContact SD-CG 3.54Å; M1-L80 HydrophobicContact CG-CD1 4.14Å
2M88.7Confident90.7Very high20 Ų2069 Ų6910%0.09934%0.338CS..BIsolated β-bridgetrans-108.1130.3-177.8-156.368.6175.200109.9Q8 Y9 W12 V61 R64 T65 G66M2-Q8 HydrophobicContact CE-CB 3.9Å; M2-Q8 HydrophobicContact CE-CG 3.75Å; M2-Q8 WeakPolarHBondContact CE-O 3.47Å; M2-Y9 HydrophobicContact CE-CD2 4.29Å; M2-Y9 VanDerWaalsContact CE-N 3.32Å; M2-Y9 HydrophobicContact CG-CD2 3.66Å; M2-Y9 HydrophobicContact CG-CG 4.47Å; M2-W12 HydrophobicContact CE-CB 4.02Å; M2-V61 HydrophobicContact CB-CG1 3.93Å; M2-V61 HydrophobicContact CG-CG1 3.85Å; M2-V61 HydrophobicContact SD-CG1 4.39Å; M2-R64 PolarHBondContact N-O 3.03Å; M2-T65 CarbonylContact O-C 3.52Å; M2-T65 VanDerWaalsContact O-CA 3.31Å; M2-T65 WeakPolarHBondContact O-CA 3.34Å; M2-G66 PolarHBondContact O-N 3.16Å
3D90.4Very high91.1Very high43 Ų4363.7 Ų63.723%0.2331%0.312CS..  trans-96.7119175.4-178.5-18.8000109.5S5 T6 Y9 L73D3-S5 PolarHBondContact O-N 3.08Å; D3-S5 VanDerWaalsContact O-N 3.14Å; D3-S5 WeakPolarHBondContact OD1-CB 3.42Å; D3-S5 PolarHBondContact OD1-N 2.75Å; D3-S5 PolarHBondContact OD1-OG 3.38Å; D3-S5 PolarHBondContact OD2-OG 3.49Å; D3-T6 HydrophobicContact CB-CG2 3.69Å; D3-T6 PolarHBondContact O-N 2.9Å; D3-T6 VanDerWaalsContact O-N 3.15Å; D3-T6 PolarHBondContact O-OG1 3.33Å; D3-Y9 WeakPolarHBondContact O-CB 3.43Å; D3-L73 HydrophobicContact CB-CD2 4.18Å; D3-L73 VanDerWaalsContact OD2-CD2 3.28Å; D3-L73 WeakPolarHBondContact OD2-CD2 3.43Å
4P87.6Confident91.4Very high28 Ų2862.4 Ų62.418%0.18231%0.312CS..THydrogen-bonded Turntrans-66.7-11.1-176.930.6-38.2000114.4Y9 T65 G66 R131P4-Y9 HydrophobicContact CB-CD1 4.24Å; P4-Y9 HydrophobicContact CB-CE1 4.32Å; P4-T65 HydrophobicContact CB-CG2 4.17Å; P4-T65 HydrophobicContact CG-CG2 4.39Å; P4-G66 WeakPolarHBondContact CD-O 3.44Å; P4-G66 WeakPolarHBondContact CG-O 3.23Å; P4-R131 PolarHBondContact O-NH1 3.42Å; P4-R131 PolarHBondContact O-NH2 3.19Å
5S86.9Confident91.7Very high80 Ų8063.2 Ų63.256%0.55932%0.322SS*.THydrogen-bonded Turntrans-85.7-19176.167.70000113.2D3D3-S5 PolarHBondContact O-N 3.08Å; D3-S5 VanDerWaalsContact O-N 3.14Å; D3-S5 WeakPolarHBondContact OD1-CB 3.42Å; D3-S5 PolarHBondContact OD1-N 2.75Å; D3-S5 PolarHBondContact OD1-OG 3.38Å; D3-S5 PolarHBondContact OD2-OG 3.49Å
6T90.4Very high92Very high49 Ų4959.3 Ų59.330%0.30130%0.302SS..SBendtrans-81152.7-172.561.90000113.5D3 Q8 Y9 Y10D3-T6 HydrophobicContact CB-CG2 3.69Å; D3-T6 PolarHBondContact O-N 2.9Å; D3-T6 VanDerWaalsContact O-N 3.15Å; D3-T6 PolarHBondContact O-OG1 3.33Å; T6-Q8 PolarHBondContact O-N 3.38Å; T6-Y9 WeakPolarHBondContact O-CB 3.43Å; T6-Y9 PolarHBondContact O-N 3.24Å; T6-Y10 PolarHBondContact O-N 3.11Å
7D92.9Very high92.3Very high86 Ų8656.4 Ų56.446%0.4629%0.289SS..Hα-helixtrans-58.5-29.2171.7-74.5-2.3000113Y9 Y10 R11 R135D7-Y9 VanDerWaalsContact C-N 3.25Å; D7-Y9 PolarHBondContact O-N 3.45Å; D7-Y10 PolarHBondContact O-N 3.16Å; D7-R11 WeakPolarHBondContact O-CG 3.44Å; D7-R11 PolarHBondContact O-N 3.36Å; D7-R135 IonicContact OD1-CZ 3.81Å; D7-R135 IonicContact OD1-NH1 3.33Å; D7-R135 PolarHBondContact OD1-NH1 3.36Å; D7-R135 IonicContact OD1-NH2 3.24Å; D7-R135 PolarHBondContact OD1-NH2 3.42Å
8Q93Very high92.5Very high134 Ų13455.6 Ų55.663%0.62630%0.297SS*.Hα-helixtrans-62-37176.8-158.6-175.8-5.100111.2M2 T6 R11 W12M2-Q8 HydrophobicContact CE-CB 3.9Å; M2-Q8 HydrophobicContact CE-CG 3.75Å; M2-Q8 WeakPolarHBondContact CE-O 3.47Å; T6-Q8 PolarHBondContact O-N 3.38Å; Q8-R11 PolarHBondContact O-N 2.83Å; Q8-W12 WeakPolarHBondContact O-CB 3.37Å; Q8-W12 PolarHBondContact O-N 3.37Å
9Y93.7Very high92.7Very high7 Ų753.5 Ų53.53%0.02729%0.287CS..Hα-helixtrans-69.7-40.7178.4-176.2-109.3000111.5M2 D3 P4 T6 D7 W12 L13 T65 R124 E127M2-Y9 HydrophobicContact CE-CD2 4.29Å; M2-Y9 VanDerWaalsContact CE-N 3.32Å; M2-Y9 HydrophobicContact CG-CD2 3.66Å; M2-Y9 HydrophobicContact CG-CG 4.47Å; D3-Y9 WeakPolarHBondContact O-CB 3.43Å; P4-Y9 HydrophobicContact CB-CD1 4.24Å; P4-Y9 HydrophobicContact CB-CE1 4.32Å; T6-Y9 WeakPolarHBondContact O-CB 3.43Å; T6-Y9 PolarHBondContact O-N 3.24Å; D7-Y9 VanDerWaalsContact C-N 3.25Å; D7-Y9 PolarHBondContact O-N 3.45Å; Y9-W12 WeakPolarHBondContact O-CB 3.4Å; Y9-W12 PolarHBondContact O-N 2.93Å; Y9-L13 HydrophobicContact CD1-CD1 3.88Å; Y9-L13 HydrophobicContact CD1-CG 4.42Å; Y9-L13 HydrophobicContact CE1-CD1 3.54Å; Y9-L13 HydrophobicContact CE1-CG 4.07Å; Y9-L13 WeakPolarHBondContact O-CG 3.49Å; Y9-L13 PolarHBondContact O-N 2.95Å; Y9-T65 HydrophobicContact CE2-CG2 4.21Å; Y9-R124 PolarHBondContact OH-NH1 2.8Å; Y9-E127 WeakPolarHBondContact CE1-OE1 3.47Å; Y9-E127 PolarHBondContact OH-OE1 3.48Å
10Y94.4Very high92.9Very high51 Ų5151.1 Ų51.120%0.227%0.274CS..Hα-helixtrans-61.8-46.4173.4175.4-108.8000112.1T6 D7 W12 L13 S14 F128 R131 T132T6-Y10 PolarHBondContact O-N 3.11Å; D7-Y10 PolarHBondContact O-N 3.16Å; Y10-W12 VanDerWaalsContact C-N 3.28Å; Y10-W12 PolarHBondContact O-N 3.42Å; Y10-L13 WeakPolarHBondContact O-CB 3.42Å; Y10-L13 PolarHBondContact O-N 3.04Å; Y10-L13 VanDerWaalsContact O-N 3.12Å; Y10-S14 PolarHBondContact O-N 3.39Å; Y10-S14 PolarHBondContact O-OG 3.48Å; Y10-F128 HydrophobicContact CE2-CD2 4.14Å; Y10-F128 AromaticContact CE2-CE2 3.79Å; Y10-F128 HydrophobicContact CE2-CE2 3.79Å; Y10-R131 HydrophobicContact CD2-CB 3.97Å; Y10-R131 HydrophobicContact CE2-CB 4.31Å; Y10-T132 WeakPolarHBondContact CE2-OG1 3.33Å; Y10-T132 PolarHBondContact OH-OG1 2.87Å
11R95.1Very high93.1Very high173 Ų17351.7 Ų51.765%0.65327%0.274SS*.Hα-helixtrans-59.8-39.5175.4-69.5175.2-169.9-173.33.8111.9D7 Q8 S14 V15D7-R11 WeakPolarHBondContact O-CG 3.44Å; D7-R11 PolarHBondContact O-N 3.36Å; Q8-R11 PolarHBondContact O-N 2.83Å; R11-S14 WeakPolarHBondContact O-CB 3.48Å; R11-S14 PolarHBondContact O-N 3.39Å; R11-V15 WeakPolarHBondContact O-CG2 3.49Å; R11-V15 PolarHBondContact O-N 2.73Å; R11-V15 VanDerWaalsContact O-N 3.14Å
12W96.1Very high93.9Very high48 Ų4848.5 Ų48.518%0.18226%0.256CS..Hα-helixtrans-62.6-45.9173.9-178.2-104.4000111.7M2 Q8 Y9 Y10 S14 V15 I16 M57 D58 V61M2-W12 HydrophobicContact CE-CB 4.02Å; Q8-W12 WeakPolarHBondContact O-CB 3.37Å; Q8-W12 PolarHBondContact O-N 3.37Å; Y9-W12 WeakPolarHBondContact O-CB 3.4Å; Y9-W12 PolarHBondContact O-N 2.93Å; Y10-W12 VanDerWaalsContact C-N 3.28Å; Y10-W12 PolarHBondContact O-N 3.42Å; W12-S14 VanDerWaalsContact C-N 3.27Å; W12-S14 PolarHBondContact O-N 2.91Å; W12-V15 WeakPolarHBondContact O-CB 3.4Å; W12-V15 PolarHBondContact O-N 2.88Å; W12-I16 HydrophobicContact CH2-CD1 4.45Å; W12-I16 HydrophobicContact CZ2-CD1 3.73Å; W12-I16 HydrophobicContact CZ2-CG1 4.44Å; W12-I16 WeakPolarHBondContact O-CG1 3.35Å; W12-I16 PolarHBondContact O-N 3.37Å; W12-M57 HydrophobicContact CH2-CB 3.71Å; W12-M57 HydrophobicContact CH2-CE 4.25Å; W12-M57 HydrophobicContact CH2-SD 4.44Å; W12-M57 HydrophobicContact CZ2-CB 3.89Å; W12-D58 HydrophobicContact CZ2-CB 4.34Å; W12-D58 PolarHBondContact NE1-OD1 3.39Å; W12-V61 HydrophobicContact CD2-CG2 4.47Å; W12-V61 HydrophobicContact CZ2-CG2 3.96Å
13L95.3Very high94.3Very high0 Ų047.6 Ų47.60%025%0.252CS..Hα-helixtrans-56.3-40.3174.1-78.4170.8000112.3Y9 Y10 V15 I16 A17 R124 E127 F128 R131Y9-L13 HydrophobicContact CD1-CD1 3.88Å; Y9-L13 HydrophobicContact CD1-CG 4.42Å; Y9-L13 HydrophobicContact CE1-CD1 3.54Å; Y9-L13 HydrophobicContact CE1-CG 4.07Å; Y9-L13 WeakPolarHBondContact O-CG 3.49Å; Y9-L13 PolarHBondContact O-N 2.95Å; Y10-L13 WeakPolarHBondContact O-CB 3.42Å; Y10-L13 PolarHBondContact O-N 3.04Å; Y10-L13 VanDerWaalsContact O-N 3.12Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.39Å; L13-I16 PolarHBondContact O-N 2.9Å; L13-A17 PolarHBondContact O-N 3.41Å; L13-R124 VanDerWaalsContact CD2-CZ 3.4Å; L13-R124 VanDerWaalsContact CD2-NH1 3.26Å; L13-E127 HydrophobicContact CD1-CG 4.16Å; L13-E127 HydrophobicContact CD2-CB 4.48Å; L13-E127 HydrophobicContact CD2-CG 4.22Å; L13-F128 HydrophobicContact CB-CB 4.33Å; L13-F128 HydrophobicContact CB-CD2 4.09Å; L13-R131 HydrophobicContact CD1-CG 4.02Å
14S95.1Very high94.6Very high45 Ų4546.3 Ų46.332%0.31525%0.245SC..Hα-helixtrans-61.1-40.1174.6-52.10000112.5Y10 R11 W12 I16 A17 F128Y10-S14 PolarHBondContact O-N 3.39Å; Y10-S14 PolarHBondContact O-OG 3.48Å; R11-S14 WeakPolarHBondContact O-CB 3.48Å; R11-S14 PolarHBondContact O-N 3.39Å; W12-S14 VanDerWaalsContact C-N 3.27Å; W12-S14 PolarHBondContact O-N 2.91Å; S14-I16 VanDerWaalsContact C-N 3.33Å; S14-A17 PolarHBondContact O-N 2.93Å; S14-F128 VanDerWaalsContact OG-CE2 3.23Å; S14-F128 WeakPolarHBondContact OG-CE2 3.32Å
15V96.5Very high95Very high75 Ų7547.1 Ų47.146%0.45525%0.248SC..Hα-helixtrans-64.2-39.4174.7174.30000111R11 W12 L13 P19 I54R11-V15 WeakPolarHBondContact O-CG2 3.49Å; R11-V15 PolarHBondContact O-N 2.73Å; R11-V15 VanDerWaalsContact O-N 3.14Å; W12-V15 WeakPolarHBondContact O-CB 3.4Å; W12-V15 PolarHBondContact O-N 2.88Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.39Å; V15-P19 WeakPolarHBondContact O-CD 3.41Å; V15-I54 HydrophobicContact CG1-CG2 4.44Å
16I96.5Very high95.5Very high0 Ų045.2 Ų45.20%023%0.23CC..Hα-helixtrans-70.4-33.2177.8-59.8-49.9000112.6W12 L13 S14 G18 P19 V20 I54 D58 R124W12-I16 HydrophobicContact CH2-CD1 4.45Å; W12-I16 HydrophobicContact CZ2-CD1 3.73Å; W12-I16 HydrophobicContact CZ2-CG1 4.44Å; W12-I16 WeakPolarHBondContact O-CG1 3.35Å; W12-I16 PolarHBondContact O-N 3.37Å; L13-I16 PolarHBondContact O-N 2.9Å; S14-I16 VanDerWaalsContact C-N 3.33Å; I16-G18 PolarHBondContact O-N 3.15Å; I16-P19 WeakPolarHBondContact O-CD 3.32Å; I16-V20 HydrophobicContact CG2-CG2 3.97Å; I16-V20 VanDerWaalsContact O-CG2 3.29Å; I16-V20 WeakPolarHBondContact O-CG2 3.28Å; I16-V20 PolarHBondContact O-N 3.2Å; I16-I54 HydrophobicContact CD1-CG2 3.3Å; I16-D58 HydrophobicContact CD1-CB 3.63Å; I16-D58 HydrophobicContact CG1-CB 4.17Å; I16-D58 WeakPolarHBondContact CG1-OD1 3.21Å; I16-R124 HydrophobicContact CG2-CB 3.7Å; I16-R124 HydrophobicContact CG2-CG 4.01Å
17A96.5Very high95.7Very high10 Ų1042.9 Ų42.98%0.08322%0.216CC..Hα-helixtrans-57.6-37.7179.300000111.9L13 S14 V20 F21 L125 F128L13-A17 PolarHBondContact O-N 3.41Å; S14-A17 PolarHBondContact O-N 2.93Å; A17-V20 PolarHBondContact O-N 2.85Å; A17-F21 VanDerWaalsContact O-CB 3.25Å; A17-F21 WeakPolarHBondContact O-CB 3.38Å; A17-F21 PolarHBondContact O-N 2.71Å; A17-L125 HydrophobicContact CB-CD1 3.92Å; A17-F128 HydrophobicContact CB-CB 4.42Å; A17-F128 HydrophobicContact CB-CD1 3.63Å; A17-F128 HydrophobicContact CB-CE1 4.02Å; A17-F128 HydrophobicContact CB-CG 3.94Å
18G96.3Very high95.9Very high42 Ų4239 Ų3943%0.43320%0.195SC..Hα-helixtrans-57.7-61.117900000113.8I16 V20 F21 Y22I16-G18 PolarHBondContact O-N 3.15Å; G18-V20 VanDerWaalsContact C-N 3.31Å; G18-V20 PolarHBondContact O-N 3.31Å; G18-F21 PolarHBondContact O-N 3.42Å; G18-Y22 WeakPolarHBondContact O-CB 3.37Å; G18-Y22 PolarHBondContact O-N 2.89Å
19P96.5Very high96Very high16 Ų1633.3 Ų33.310%0.10417%0.169CC..Hα-helixtrans-56.9-37.6175.7-30.838.6000114.4V15 I16 N23 S51 I54 Y55V15-P19 WeakPolarHBondContact O-CD 3.41Å; I16-P19 WeakPolarHBondContact O-CD 3.32Å; P19-N23 WeakPolarHBondContact O-CB 3.31Å; P19-N23 VanDerWaalsContact O-CG 3.32Å; P19-N23 PolarHBondContact O-N 3.48Å; P19-N23 PolarHBondContact O-ND2 2.96Å; P19-N23 VanDerWaalsContact O-ND2 3.08Å; P19-S51 WeakPolarHBondContact CB-OG 3.38Å; P19-I54 HydrophobicContact CG-CB 4.14Å; P19-I54 HydrophobicContact CG-CD1 3.63Å; P19-I54 HydrophobicContact CG-CG1 4.5Å; P19-I54 HydrophobicContact CG-CG2 3.92Å; P19-Y55 HydrophobicContact CB-CD1 4.35Å; P19-Y55 HydrophobicContact CB-CE1 3.85Å
20V96.9Very high96.1Very high5 Ų533 Ų333%0.0317%0.168CC..Hα-helixtrans-65.4-44.7176.3178.60000110.8I16 A17 G18 N23 L24 Y55 K121 R124 L125I16-V20 HydrophobicContact CG2-CG2 3.97Å; I16-V20 VanDerWaalsContact O-CG2 3.29Å; I16-V20 WeakPolarHBondContact O-CG2 3.28Å; I16-V20 PolarHBondContact O-N 3.2Å; A17-V20 PolarHBondContact O-N 2.85Å; G18-V20 VanDerWaalsContact C-N 3.31Å; G18-V20 PolarHBondContact O-N 3.31Å; V20-N23 PolarHBondContact O-N 3.49Å; V20-L24 VanDerWaalsContact O-CB 3.28Å; V20-L24 WeakPolarHBondContact O-CB 3.4Å; V20-L24 PolarHBondContact O-N 3.36Å; V20-Y55 WeakPolarHBondContact CA-OH 3.43Å; V20-Y55 HydrophobicContact CG2-CE1 3.79Å; V20-Y55 WeakPolarHBondContact CG2-OH 3.33Å; V20-K121 HydrophobicContact CG2-CB 4.25Å; V20-K121 HydrophobicContact CG2-CG 4.11Å; V20-R124 HydrophobicContact CG2-CB 4.41Å; V20-L125 HydrophobicContact CG1-CB 3.88Å; V20-L125 HydrophobicContact CG1-CD2 4.43Å
21F96.4Very high96.1Very high64 Ų6431.4 Ų31.428%0.28117%0.166SC..Hα-helixtrans-66.5-41.5177.9-158.1-99.8000112A17 G18 L24 I25 L125 L149 I153A17-F21 VanDerWaalsContact O-CB 3.25Å; A17-F21 WeakPolarHBondContact O-CB 3.38Å; A17-F21 PolarHBondContact O-N 2.71Å; G18-F21 PolarHBondContact O-N 3.42Å; F21-L24 PolarHBondContact O-N 3.34Å; F21-I25 HydrophobicContact CD1-CD1 3.72Å; F21-I25 HydrophobicContact CE1-CD1 3.2Å; F21-I25 HydrophobicContact CE1-CG1 4.38Å; F21-I25 HydrophobicContact CE2-CD1 4.48Å; F21-I25 HydrophobicContact CZ-CD1 3.63Å; F21-I25 PolarHBondContact O-N 2.93Å; F21-I25 VanDerWaalsContact O-N 3.16Å; F21-L125 HydrophobicContact CD2-CD2 4.22Å; F21-L149 HydrophobicContact CE2-CD1 3.75Å; F21-L149 HydrophobicContact CE2-CD2 3.94Å; F21-L149 HydrophobicContact CE2-CG 4.13Å; F21-L149 HydrophobicContact CZ-CD1 3.55Å; F21-L149 HydrophobicContact CZ-CG 4.43Å; F21-I153 HydrophobicContact CE2-CD1 3.92Å; F21-I153 HydrophobicContact CZ-CD1 4.49Å
22Y96.9Very high96.1Very high42 Ų4223.5 Ų23.517%0.16514%0.137CC..Hα-helixtrans-55.9-52.3172.2165.4-99.5000111.4G18 L24 I25 M26 R30 W44 L47 D48G18-Y22 WeakPolarHBondContact O-CB 3.37Å; G18-Y22 PolarHBondContact O-N 2.89Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 2.9Å; Y22-I25 PolarHBondContact O-N 3.39Å; Y22-M26 HydrophobicContact CD2-CB 4.06Å; Y22-M26 HydrophobicContact CD2-CG 3.59Å; Y22-M26 HydrophobicContact CE2-CB 3.8Å; Y22-M26 HydrophobicContact CE2-CG 3.62Å; Y22-M26 HydrophobicContact CG-CG 4.46Å; Y22-M26 VanDerWaalsContact O-CB 3.24Å; Y22-M26 WeakPolarHBondContact O-CB 3.43Å; Y22-M26 WeakPolarHBondContact O-CG 3.3Å; Y22-M26 PolarHBondContact O-N 3.5Å; Y22-R30 PolarHBondContact OH-NH1 3.4Å; Y22-R30 VanDerWaalsContact OH-NH1 3.17Å; Y22-W44 HydrophobicContact CE2-CE3 4.44Å; Y22-W44 HydrophobicContact CE2-CZ3 4.23Å; Y22-L47 HydrophobicContact CE1-CB 4.42Å; Y22-L47 HydrophobicContact CE2-CB 4.15Å; Y22-L47 HydrophobicContact CE2-CD1 4.08Å; Y22-L47 WeakPolarHBondContact OH-CB 3.33Å; Y22-D48 VanDerWaalsContact CE1-OD1 3.3Å; Y22-D48 WeakPolarHBondContact CE1-OD1 3.29Å; Y22-D48 PolarHBondContact OH-OD1 3.21Å
23N96.6Very high96Very high1 Ų121.4 Ų21.41%0.00513%0.129CC..Hα-helixtrans-63.7-38.6-179.8-75.4-38.1000111.7P19 V20 I25 I27 S51 Y55P19-N23 WeakPolarHBondContact O-CB 3.31Å; P19-N23 VanDerWaalsContact O-CG 3.32Å; P19-N23 PolarHBondContact O-N 3.48Å; P19-N23 PolarHBondContact O-ND2 2.96Å; P19-N23 VanDerWaalsContact O-ND2 3.08Å; V20-N23 PolarHBondContact O-N 3.49Å; N23-I25 VanDerWaalsContact C-N 3.32Å; N23-I25 PolarHBondContact O-N 3.03Å; N23-I27 HydrophobicContact CB-CD1 3.72Å; N23-I27 HydrophobicContact CB-CG1 4.34Å; N23-I27 VanDerWaalsContact O-CB 3.31Å; N23-I27 WeakPolarHBondContact O-CB 3.41Å; N23-I27 VanDerWaalsContact O-CG1 3.3Å; N23-I27 WeakPolarHBondContact O-CG1 3.41Å; N23-I27 PolarHBondContact O-N 2.92Å; N23-S51 PolarHBondContact ND2-OG 3.49Å; N23-Y55 VanDerWaalsContact ND2-CZ 3.32Å; N23-Y55 PolarHBondContact ND2-OH 2.85Å
24L96.8Very high95.9Very high17 Ų1723.4 Ų23.49%0.08914%0.14CC..Hα-helixtrans-62.7-35-179.7-176.960.9000113.3V20 F21 Y22 L119 I122 L125 I153 W157V20-L24 VanDerWaalsContact O-CB 3.28Å; V20-L24 WeakPolarHBondContact O-CB 3.4Å; V20-L24 PolarHBondContact O-N 3.36Å; F21-L24 PolarHBondContact O-N 3.34Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 2.9Å; L24-L119 HydrophobicContact CD1-CD2 4.38Å; L24-I122 HydrophobicContact CD1-CD1 4.26Å; L24-I122 HydrophobicContact CD2-CD1 4.49Å; L24-L125 HydrophobicContact CD2-CD2 4.34Å; L24-I153 HydrophobicContact CD1-CG2 4.44Å; L24-I153 HydrophobicContact CD2-CD1 3.87Å; L24-I153 HydrophobicContact CD2-CG2 4.07Å; L24-I153 HydrophobicContact CG-CG2 4.15Å; L24-W157 HydrophobicContact CD1-CZ2 4.1Å; L24-W157 PolarHBondContact O-NE1 2.91Å
25I96.6Very high95.7Very high45 Ų4525 Ų2523%0.23114%0.143CC..Hα-helixtrans-94.9-49.9-179.2-63.5178.7000110.8F21 Y22 N23 V28 T29 H156F21-I25 HydrophobicContact CD1-CD1 3.72Å; F21-I25 HydrophobicContact CE1-CD1 3.2Å; F21-I25 HydrophobicContact CE1-CG1 4.38Å; F21-I25 HydrophobicContact CE2-CD1 4.48Å; F21-I25 HydrophobicContact CZ-CD1 3.63Å; F21-I25 PolarHBondContact O-N 2.93Å; F21-I25 VanDerWaalsContact O-N 3.16Å; Y22-I25 PolarHBondContact O-N 3.39Å; N23-I25 VanDerWaalsContact C-N 3.32Å; N23-I25 PolarHBondContact O-N 3.03Å; I25-V28 WeakPolarHBondContact O-CG1 3.23Å; I25-T29 WeakPolarHBondContact O-CB 3.35Å; I25-T29 PolarHBondContact O-N 2.83Å; I25-T29 PolarHBondContact O-OG1 3.42Å; I25-H156 PolarHBondContact O-NE2 2.88Å
26M96.1Very high95.5Very high40 Ų4022.8 Ų22.820%0.19713%0.128CC..Hα-helixtrans-79.4-31.2-166.3-61.3-55.4-60.300113.4Y22 R30 L36 W44Y22-M26 HydrophobicContact CD2-CB 4.06Å; Y22-M26 HydrophobicContact CD2-CG 3.59Å; Y22-M26 HydrophobicContact CE2-CB 3.8Å; Y22-M26 HydrophobicContact CE2-CG 3.62Å; Y22-M26 HydrophobicContact CG-CG 4.46Å; Y22-M26 VanDerWaalsContact O-CB 3.24Å; Y22-M26 WeakPolarHBondContact O-CB 3.43Å; Y22-M26 WeakPolarHBondContact O-CG 3.3Å; Y22-M26 PolarHBondContact O-N 3.5Å; M26-R30 WeakPolarHBondContact O-CB 3.5Å; M26-R30 WeakPolarHBondContact O-CG 3.27Å; M26-R30 PolarHBondContact O-N 3.35Å; M26-R30 PolarHBondContact O-NE 2.87Å; M26-L36 HydrophobicContact CE-CD2 4.13Å; M26-W44 HydrophobicContact CE-CH2 3.26Å; M26-W44 HydrophobicContact CE-CZ2 4Å; M26-W44 HydrophobicContact CE-CZ3 3.6Å
27I95.6Very high95.4Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-63.9-49.5179.4-63.5175.9000110.2N23 R30 A31 R115 F116 R118N23-I27 HydrophobicContact CB-CD1 3.72Å; N23-I27 HydrophobicContact CB-CG1 4.34Å; N23-I27 VanDerWaalsContact O-CB 3.31Å; N23-I27 WeakPolarHBondContact O-CB 3.41Å; N23-I27 VanDerWaalsContact O-CG1 3.3Å; N23-I27 WeakPolarHBondContact O-CG1 3.41Å; N23-I27 PolarHBondContact O-N 2.92Å; I27-R30 PolarHBondContact O-N 3.38Å; I27-A31 WeakPolarHBondContact O-CB 3.46Å; I27-A31 PolarHBondContact O-N 2.71Å; I27-R115 HydrophobicContact CD1-CB 4.13Å; I27-F116 HydrophobicContact CG2-CD1 3.5Å; I27-F116 HydrophobicContact CG2-CE1 3.61Å; I27-F116 HydrophobicContact CG2-CG 4.42Å; I27-R118 HydrophobicContact CD1-CB 4.12Å
28V96.8Very high95.1Very high5 Ų525.5 Ų25.53%0.0315%0.146CC..Hα-helixtrans-66.5-40.2179.7690000111.7I25 R30 A31 S32 W157 C160I25-V28 WeakPolarHBondContact O-CG1 3.23Å; V28-R30 PolarHBondContact O-N 3.28Å; V28-A31 PolarHBondContact O-N 2.86Å; V28-S32 PolarHBondContact O-N 3.41Å; V28-S32 PolarHBondContact O-OG 3.48Å; V28-W157 HydrophobicContact CB-CD2 4.31Å; V28-W157 HydrophobicContact CB-CH2 4.23Å; V28-W157 HydrophobicContact CB-CZ2 4.01Å; V28-W157 HydrophobicContact CB-CZ3 4.48Å; V28-W157 HydrophobicContact CG1-CD2 4.14Å; V28-W157 HydrophobicContact CG1-CG 4.33Å; V28-W157 HydrophobicContact CG1-CZ2 4.14Å; V28-W157 HydrophobicContact CG2-CD2 4.12Å; V28-W157 HydrophobicContact CG2-CE3 4.01Å; V28-W157 HydrophobicContact CG2-CH2 4.41Å; V28-W157 HydrophobicContact CG2-CZ3 4.17Å; V28-C160 HydrophobicContact CG2-CB 3.7Å
29T96.1Very high95Very high13 Ų1326.9 Ų26.98%0.0815%0.149CC..Hα-helixtrans-59.4-49.3176.2-54.20000111.3I25 A31 S32 F33 L36 H156I25-T29 WeakPolarHBondContact O-CB 3.35Å; I25-T29 PolarHBondContact O-N 2.83Å; I25-T29 PolarHBondContact O-OG1 3.42Å; T29-A31 VanDerWaalsContact C-N 3.33Å; T29-A31 PolarHBondContact O-N 3.44Å; T29-S32 PolarHBondContact O-N 3.35Å; T29-F33 HydrophobicContact CG2-CD2 3.95Å; T29-F33 WeakPolarHBondContact O-CB 3.5Å; T29-F33 WeakPolarHBondContact O-CD2 3.48Å; T29-F33 PolarHBondContact O-N 2.83Å; T29-L36 HydrophobicContact CG2-CD2 3.68Å; T29-H156 PolarHBondContact OG1-CE1 2.94Å; T29-H156 PolarHBondContact OG1-NE2 3.14Å; T29-H156 VanDerWaalsContact OG1-NE2 3.12Å
30R95.4Very high94.9Very high1 Ų132.4 Ų32.40%0.00417%0.168CC..Hα-helixtrans-68.8-33.3-177.2-65.5174.1-42.3173.114.2112Y22 M26 I27 V28 L36 Q37 D48 P112Y22-R30 PolarHBondContact OH-NH1 3.4Å; Y22-R30 VanDerWaalsContact OH-NH1 3.17Å; M26-R30 WeakPolarHBondContact O-CB 3.5Å; M26-R30 WeakPolarHBondContact O-CG 3.27Å; M26-R30 PolarHBondContact O-N 3.35Å; M26-R30 PolarHBondContact O-NE 2.87Å; I27-R30 PolarHBondContact O-N 3.38Å; V28-R30 PolarHBondContact O-N 3.28Å; R30-L36 HydrophobicContact CG-CD2 4.08Å; R30-L36 HydrophobicContact CG-CG 4.45Å; R30-Q37 HydrophobicContact CB-CB 4.43Å; R30-D48 IonicContact CZ-OD1 3.43Å; R30-D48 IonicContact CZ-OD2 2.97Å; R30-D48 VanDerWaalsContact NH1-CG 3.27Å; R30-D48 IonicContact NH1-OD1 3.56Å; R30-D48 PolarHBondContact NH1-OD1 3.38Å; R30-D48 IonicContact NH1-OD2 2.79Å; R30-D48 PolarHBondContact NH1-OD2 3.19Å; R30-D48 IonicContact NH2-OD1 2.89Å; R30-D48 PolarHBondContact NH2-OD1 2.89Å; R30-D48 IonicContact NH2-OD2 3.16Å; R30-D48 PolarHBondContact NH2-OD2 2.86Å; R30-P112 HydrophobicContact CB-CB 3.97Å; R30-P112 HydrophobicContact CB-CG 3.72Å
31A94.6Very high94.6Very high18 Ų1833.8 Ų33.815%0.14918%0.177CC..Hα-helixtrans-65.6-39.7175.500000111.8I27 V28 T29 P112 F116I27-A31 WeakPolarHBondContact O-CB 3.46Å; I27-A31 PolarHBondContact O-N 2.71Å; V28-A31 PolarHBondContact O-N 2.86Å; T29-A31 VanDerWaalsContact C-N 3.33Å; T29-A31 PolarHBondContact O-N 3.44Å; A31-P112 HydrophobicContact CB-CB 4.48Å; A31-F116 HydrophobicContact CB-CZ 4.17Å
32S95.1Very high94.5Very high6 Ų639.6 Ų39.64%0.04220%0.202CC..Hα-helixtrans-80.9-40178.9-64.50000113.5V28 T29 C160 F163V28-S32 PolarHBondContact O-N 3.41Å; V28-S32 PolarHBondContact O-OG 3.48Å; T29-S32 PolarHBondContact O-N 3.35Å; S32-C160 WeakPolarHBondContact CB-O 3.48Å; S32-C160 VanDerWaalsContact OG-C 3.3Å; S32-C160 WeakPolarHBondContact OG-CB 3.37Å; S32-C160 PolarHBondContact OG-O 3.26Å; S32-F163 VanDerWaalsContact O-CD1 3.3Å; S32-F163 WeakPolarHBondContact O-CD1 3.48Å; S32-F163 WeakPolarHBondContact O-CE1 3.42Å
33F94.6Very high94.5Very high4 Ų441.8 Ų41.82%0.01822%0.216CC..  trans-108.575-176.6-58.7-84.8000110.9T29 E35 L36 F163 L189 K192 Y193T29-F33 HydrophobicContact CG2-CD2 3.95Å; T29-F33 WeakPolarHBondContact O-CB 3.5Å; T29-F33 WeakPolarHBondContact O-CD2 3.48Å; T29-F33 PolarHBondContact O-N 2.83Å; F33-E35 PolarHBondContact O-N 3.27Å; F33-L36 VanDerWaalsContact O-CB 3.25Å; F33-L36 WeakPolarHBondContact O-CB 3.37Å; F33-L36 PolarHBondContact O-N 3.21Å; F33-F163 AromaticContact CD1-CD1 3.66Å; F33-F163 HydrophobicContact CD1-CD1 3.66Å; F33-F163 HydrophobicContact CD1-CD2 4.45Å; F33-F163 AromaticContact CD1-CE1 3.59Å; F33-F163 HydrophobicContact CD1-CE1 3.59Å; F33-F163 HydrophobicContact CD1-CE2 4.4Å; F33-F163 HydrophobicContact CD1-CG 4.11Å; F33-F163 AromaticContact CD1-CZ 3.99Å; F33-F163 HydrophobicContact CD1-CZ 3.99Å; F33-F163 HydrophobicContact CE1-CB 4.11Å; F33-F163 AromaticContact CE1-CD1 3.49Å; F33-F163 HydrophobicContact CE1-CD1 3.49Å; F33-F163 VanDerWaalsContact CE1-CD1 3.49Å; F33-F163 AromaticContact CE1-CD2 3.66Å; F33-F163 HydrophobicContact CE1-CD2 3.66Å; F33-F163 AromaticContact CE1-CE1 3.77Å; F33-F163 HydrophobicContact CE1-CE1 3.77Å; F33-F163 AromaticContact CE1-CE2 3.93Å; F33-F163 HydrophobicContact CE1-CE2 3.93Å; F33-F163 AromaticContact CE1-CG 3.44Å; F33-F163 HydrophobicContact CE1-CG 3.44Å; F33-F163 VanDerWaalsContact CE1-CG 3.44Å; F33-F163 AromaticContact CE1-CZ 3.99Å; F33-F163 HydrophobicContact CE1-CZ 3.99Å; F33-F163 HydrophobicContact CG-CD1 4.28Å; F33-F163 HydrophobicContact CG-CE1 4.37Å; F33-F163 HydrophobicContact CZ-CB 3.86Å; F33-F163 AromaticContact CZ-CD1 3.98Å; F33-F163 HydrophobicContact CZ-CD1 3.98Å; F33-F163 HydrophobicContact CZ-CD2 4.22Å; F33-F163 AromaticContact CZ-CG 3.73Å; F33-F163 HydrophobicContact CZ-CG 3.73Å; F33-L189 HydrophobicContact CB-CD1 3.87Å; F33-L189 HydrophobicContact CD1-CD1 4.09Å; F33-L189 HydrophobicContact CG-CD1 4.25Å; F33-K192 HydrophobicContact CD1-CB 4.1Å; F33-K192 HydrophobicContact CE1-CB 3.77Å; F33-Y193 HydrophobicContact CD2-CD2 4.44Å; F33-Y193 AromaticContact CE2-CD2 3.73Å; F33-Y193 HydrophobicContact CE2-CD2 3.73Å; F33-Y193 HydrophobicContact CE2-CE2 4.49Å; F33-Y193 AromaticContact CZ-CD2 3.94Å; F33-Y193 HydrophobicContact CZ-CD2 3.94Å
34N91.5Very high94.4Very high43 Ų4342.8 Ų42.823%0.2322%0.22CC..Hα-helixtrans-57-27.3-173.2-55.972.8000114.5L36 Q37 S38 D110 K167N34-L36 PolarHBondContact O-N 3.36Å; N34-Q37 WeakPolarHBondContact O-CB 3.31Å; N34-Q37 PolarHBondContact O-N 2.93Å; N34-S38 PolarHBondContact O-N 3.14Å; N34-S38 PolarHBondContact O-OG 2.85Å; N34-D110 PolarHBondContact ND2-O 2.89Å; N34-K167 VanDerWaalsContact CG-NZ 3.35Å; N34-K167 PolarHBondContact OD1-NZ 2.87Å
35E91.2Very high94.2Very high79 Ų7944.6 Ų44.637%0.36923%0.229SC..Hα-helixtrans-56-35.5173.5-175-175.8162.300112.1F33 S38 S39 L189 K192F33-E35 PolarHBondContact O-N 3.27Å; E35-S38 PolarHBondContact O-OG 2.92Å; E35-S39 VanDerWaalsContact O-CB 3.22Å; E35-S39 WeakPolarHBondContact O-CB 3.34Å; E35-S39 PolarHBondContact O-N 3.21Å; E35-S39 VanDerWaalsContact O-N 3.08Å; E35-S39 PolarHBondContact O-OG 2.94Å; E35-L189 HydrophobicContact CB-CD1 4.49Å; E35-K192 IonicContact OE2-NZ 3.75Å; E35-K192 PolarHBondContact OE2-NZ 2.89Å
36L93.1Very high94.2Very high27 Ų2746.7 Ų46.714%0.14124%0.244CC..Hα-helixtrans-67.5-38.9175.9-174.865.8000111.3M26 T29 R30 F33 N34 Y40 W44 L189M26-L36 HydrophobicContact CE-CD2 4.13Å; T29-L36 HydrophobicContact CG2-CD2 3.68Å; R30-L36 HydrophobicContact CG-CD2 4.08Å; R30-L36 HydrophobicContact CG-CG 4.45Å; F33-L36 VanDerWaalsContact O-CB 3.25Å; F33-L36 WeakPolarHBondContact O-CB 3.37Å; F33-L36 PolarHBondContact O-N 3.21Å; N34-L36 PolarHBondContact O-N 3.36Å; L36-Y40 HydrophobicContact CD1-CD2 4.21Å; L36-Y40 HydrophobicContact CD1-CE2 4.48Å; L36-W44 HydrophobicContact CD1-CZ2 3.91Å; L36-W44 HydrophobicContact CD2-CZ2 4.3Å; L36-W44 HydrophobicContact CG-CZ2 3.86Å; L36-W44 PolarHBondContact O-NE1 2.8Å; L36-L189 HydrophobicContact CB-CD2 4.14Å; L36-L189 HydrophobicContact CD1-CD2 4.02Å
37Q93Very high94.2Very high4 Ų447.9 Ų47.92%0.01925%0.251CS..Hα-helixtrans-67-51.8178.1178.163.211.900110.8R30 N34 Y40 T41 F109 P112R30-Q37 HydrophobicContact CB-CB 4.43Å; N34-Q37 WeakPolarHBondContact O-CB 3.31Å; N34-Q37 PolarHBondContact O-N 2.93Å; Q37-Y40 PolarHBondContact O-N 3Å; Q37-T41 WeakPolarHBondContact O-CA 3.47Å; Q37-T41 PolarHBondContact O-N 2.84Å; Q37-T41 VanDerWaalsContact O-N 3.11Å; Q37-T41 PolarHBondContact O-OG1 3.48Å; Q37-T41 VanDerWaalsContact O-OG1 3.06Å; Q37-F109 WeakPolarHBondContact CG-O 3.4Å; Q37-F109 PolarHBondContact NE2-O 3.44Å; Q37-P112 HydrophobicContact CB-CG 4.07Å; Q37-P112 HydrophobicContact CG-CG 3.7Å
38S91.7Very high94.2Very high63 Ų6348.1 Ų48.144%0.44125%0.252SS..Hα-helixtrans-70.5-33.5-17461.40000113.4N34 E35 Y40 T41N34-S38 PolarHBondContact O-N 3.14Å; N34-S38 PolarHBondContact O-OG 2.85Å; E35-S38 PolarHBondContact O-OG 2.92Å; S38-Y40 VanDerWaalsContact C-N 3.34Å; S38-Y40 PolarHBondContact O-N 3.37Å; S38-T41 PolarHBondContact O-OG1 3.34Å
39S93.3Very high94.1Very high72 Ų7252.5 Ų52.550%0.50327%0.269SS..Hα-helixtrans-70.7-28.7-179.9-59.10000113.3E35E35-S39 VanDerWaalsContact O-CB 3.22Å; E35-S39 WeakPolarHBondContact O-CB 3.34Å; E35-S39 PolarHBondContact O-N 3.21Å; E35-S39 VanDerWaalsContact O-N 3.08Å; E35-S39 PolarHBondContact O-OG 2.94Å
40Y94.2Very high94.1Very high131 Ų13155.2 Ų55.251%0.51429%0.285SS..THydrogen-bonded Turntrans-129.527.9-171.2-58.5-76.7000113.5L36 Q37 S38 K42 L43 W44L36-Y40 HydrophobicContact CD1-CD2 4.21Å; L36-Y40 HydrophobicContact CD1-CE2 4.48Å; Q37-Y40 PolarHBondContact O-N 3Å; S38-Y40 VanDerWaalsContact C-N 3.34Å; S38-Y40 PolarHBondContact O-N 3.37Å; Y40-K42 VanDerWaalsContact C-N 3.27Å; Y40-K42 PolarHBondContact O-N 2.97Å; Y40-K42 VanDerWaalsContact O-N 3.09Å; Y40-L43 WeakPolarHBondContact O-CB 3.49Å; Y40-L43 PolarHBondContact O-N 3.47Å; Y40-W44 VanDerWaalsContact O-CD1 3.25Å; Y40-W44 PolarHBondContact O-N 2.9Å; Y40-W44 VanDerWaalsContact O-N 3.11Å
41T92.2Very high94.2Very high34 Ų3455.4 Ų55.421%0.20929%0.287CS..Hα-helixtrans-48.9-43.7-174.1-44.10000113.8Q37 S38 L43 W44 I45 F109Q37-T41 WeakPolarHBondContact O-CA 3.47Å; Q37-T41 PolarHBondContact O-N 2.84Å; Q37-T41 VanDerWaalsContact O-N 3.11Å; Q37-T41 PolarHBondContact O-OG1 3.48Å; Q37-T41 VanDerWaalsContact O-OG1 3.06Å; S38-T41 PolarHBondContact O-OG1 3.34Å; T41-L43 PolarHBondContact O-N 3.37Å; T41-W44 PolarHBondContact O-N 3.38Å; T41-I45 HydrophobicContact CG2-CD1 4.05Å; T41-I45 WeakPolarHBondContact O-CG1 3.27Å; T41-I45 PolarHBondContact O-N 3.45Å; T41-F109 HydrophobicContact CG2-CB 3.84Å; T41-F109 HydrophobicContact CG2-CG 4.3Å
42K93.9Very high94.2Very high187 Ų18755 Ų5581%0.81328%0.282SS*.Hα-helixtrans-62.9-42180-65.5-177.1-176.4177.30112.4Y40 V46Y40-K42 VanDerWaalsContact C-N 3.27Å; Y40-K42 PolarHBondContact O-N 2.97Å; Y40-K42 VanDerWaalsContact O-N 3.09Å; K42-V46 WeakPolarHBondContact O-CG2 3.49Å; K42-V46 PolarHBondContact O-N 2.76Å
43L95.6Very high94.3Very high88 Ų8859.6 Ų59.646%0.46131%0.305SS..Hα-helixtrans-63.9-45.6177.4175.766.2000110.3Y40 T41 I45 V46 L47Y40-L43 WeakPolarHBondContact O-CB 3.49Å; Y40-L43 PolarHBondContact O-N 3.47Å; T41-L43 PolarHBondContact O-N 3.37Å; L43-I45 PolarHBondContact O-N 3.21Å; L43-V46 PolarHBondContact O-N 3.34Å; L43-L47 HydrophobicContact CD1-CD1 4.07Å; L43-L47 HydrophobicContact CD1-CG 4.27Å; L43-L47 HydrophobicContact CG-CD1 4Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.46Å
44W95.1Very high94.4Very high21 Ų2160.7 Ų60.78%0.0831%0.311CS..Hα-helixtrans-61.8-43.6-179.8-63.8135.8000112.9Y22 M26 L36 Y40 T41 V46 L47 D48Y22-W44 HydrophobicContact CE2-CE3 4.44Å; Y22-W44 HydrophobicContact CE2-CZ3 4.23Å; M26-W44 HydrophobicContact CE-CH2 3.26Å; M26-W44 HydrophobicContact CE-CZ2 4Å; M26-W44 HydrophobicContact CE-CZ3 3.6Å; L36-W44 HydrophobicContact CD1-CZ2 3.91Å; L36-W44 HydrophobicContact CD2-CZ2 4.3Å; L36-W44 HydrophobicContact CG-CZ2 3.86Å; L36-W44 PolarHBondContact O-NE1 2.8Å; Y40-W44 VanDerWaalsContact O-CD1 3.25Å; Y40-W44 PolarHBondContact O-N 2.9Å; Y40-W44 VanDerWaalsContact O-N 3.11Å; T41-W44 PolarHBondContact O-N 3.38Å; W44-V46 VanDerWaalsContact C-N 3.33Å; W44-V46 PolarHBondContact O-N 2.89Å; W44-L47 HydrophobicContact CE3-CD1 4.05Å; W44-L47 HydrophobicContact CZ3-CD1 3.94Å; W44-L47 PolarHBondContact O-N 3.08Å; W44-D48 WeakPolarHBondContact O-CB 3.37Å; W44-D48 PolarHBondContact O-N 3.37Å
45I93.1Very high94.6Very high55 Ų5558.7 Ų58.728%0.28230%0.3SS..Hα-helixtrans-55.6-49.3174.5-75.8171.3000110.6T41 L43 L47 D48 Y49 F109T41-I45 HydrophobicContact CG2-CD1 4.05Å; T41-I45 WeakPolarHBondContact O-CG1 3.27Å; T41-I45 PolarHBondContact O-N 3.45Å; L43-I45 PolarHBondContact O-N 3.21Å; I45-L47 PolarHBondContact O-N 2.97Å; I45-D48 PolarHBondContact O-N 2.99Å; I45-Y49 HydrophobicContact CG2-CD2 3.75Å; I45-Y49 HydrophobicContact CG2-CE2 3.82Å; I45-Y49 WeakPolarHBondContact O-CD2 3.46Å; I45-Y49 PolarHBondContact O-N 2.92Å; I45-F109 HydrophobicContact CD1-CD1 3.94Å; I45-F109 HydrophobicContact CD1-CE1 3.87Å
46V95.9Very high94.8Very high89 Ų8960.3 Ų60.354%0.53930%0.303SS..Hα-helixtrans-61.3-47.4-179.5172.30000111.5K42 L43 W44 T50K42-V46 WeakPolarHBondContact O-CG2 3.49Å; K42-V46 PolarHBondContact O-N 2.76Å; L43-V46 PolarHBondContact O-N 3.34Å; W44-V46 VanDerWaalsContact C-N 3.33Å; W44-V46 PolarHBondContact O-N 2.89Å; V46-T50 VanDerWaalsContact O-CB 3.31Å; V46-T50 WeakPolarHBondContact O-CB 3.21Å; V46-T50 PolarHBondContact O-N 3.42Å; V46-T50 PolarHBondContact O-OG1 3.22Å
47L96.6Very high94.9Very high66 Ų6663 Ų6335%0.34632%0.317SS..Hα-helixtrans-66.6-40.8-179.8-67.6176.4000112.2Y22 L43 W44 I45 T50 S51Y22-L47 HydrophobicContact CE1-CB 4.42Å; Y22-L47 HydrophobicContact CE2-CB 4.15Å; Y22-L47 HydrophobicContact CE2-CD1 4.08Å; Y22-L47 WeakPolarHBondContact OH-CB 3.33Å; L43-L47 HydrophobicContact CD1-CD1 4.07Å; L43-L47 HydrophobicContact CD1-CG 4.27Å; L43-L47 HydrophobicContact CG-CD1 4Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.46Å; W44-L47 HydrophobicContact CE3-CD1 4.05Å; W44-L47 HydrophobicContact CZ3-CD1 3.94Å; W44-L47 PolarHBondContact O-N 3.08Å; I45-L47 PolarHBondContact O-N 2.97Å; L47-T50 PolarHBondContact O-N 3.26Å; L47-S51 WeakPolarHBondContact O-CB 3.5Å; L47-S51 PolarHBondContact O-N 2.91Å
48D95.6Very high95.1Very high5 Ų562.9 Ų62.93%0.02732%0.316CS..Hα-helixtrans-63.9-47.5-179.8-79.16.1000111.7Y22 R30 W44 I45 S51 D52 R115Y22-D48 VanDerWaalsContact CE1-OD1 3.3Å; Y22-D48 WeakPolarHBondContact CE1-OD1 3.29Å; Y22-D48 PolarHBondContact OH-OD1 3.21Å; R30-D48 IonicContact CZ-OD1 3.43Å; R30-D48 IonicContact CZ-OD2 2.97Å; R30-D48 VanDerWaalsContact NH1-CG 3.27Å; R30-D48 IonicContact NH1-OD1 3.56Å; R30-D48 PolarHBondContact NH1-OD1 3.38Å; R30-D48 IonicContact NH1-OD2 2.79Å; R30-D48 PolarHBondContact NH1-OD2 3.19Å; R30-D48 IonicContact NH2-OD1 2.89Å; R30-D48 PolarHBondContact NH2-OD1 2.89Å; R30-D48 IonicContact NH2-OD2 3.16Å; R30-D48 PolarHBondContact NH2-OD2 2.86Å; W44-D48 WeakPolarHBondContact O-CB 3.37Å; W44-D48 PolarHBondContact O-N 3.37Å; I45-D48 PolarHBondContact O-N 2.99Å; D48-S51 WeakPolarHBondContact O-CB 3.41Å; D48-S51 PolarHBondContact O-N 2.84Å; D48-D52 PolarHBondContact O-N 2.9Å; D48-R115 PolarHBondContact O-NH2 2.85Å; D48-R115 VanDerWaalsContact OD2-CD 3.26Å; D48-R115 WeakPolarHBondContact OD2-CD 3.3Å; D48-R115 IonicContact OD2-CZ 3.4Å; D48-R115 IonicContact OD2-NE 3.4Å; D48-R115 PolarHBondContact OD2-NE 3.47Å; D48-R115 VanDerWaalsContact OD2-NE 3.16Å
49Y94.8Very high95.2Very high97 Ų9760.6 Ų60.638%0.3830%0.299SS..Hα-helixtrans-73.3-30178.2-72.3-64.9000112.6I45 S51 D52 I53 D101I45-Y49 HydrophobicContact CG2-CD2 3.75Å; I45-Y49 HydrophobicContact CG2-CE2 3.82Å; I45-Y49 WeakPolarHBondContact O-CD2 3.46Å; I45-Y49 PolarHBondContact O-N 2.92Å; Y49-S51 VanDerWaalsContact C-N 3.35Å; Y49-D52 PolarHBondContact O-N 3.46Å; Y49-I53 VanDerWaalsContact O-CG1 3.25Å; Y49-I53 WeakPolarHBondContact O-CG1 3.33Å; Y49-I53 PolarHBondContact O-N 3.17Å; Y49-D101 VanDerWaalsContact CE1-OD2 3.31Å; Y49-D101 WeakPolarHBondContact CE1-OD2 3.48Å; Y49-D101 PolarHBondContact OH-OD2 3.43Å
50T96.4Very high95.2Very high70 Ų7063.2 Ų63.243%0.42930%0.302SS..Hα-helixtrans-63.2-44.2170.7-58.50000110.8V46 L47 I53 I54V46-T50 VanDerWaalsContact O-CB 3.31Å; V46-T50 WeakPolarHBondContact O-CB 3.21Å; V46-T50 PolarHBondContact O-N 3.42Å; V46-T50 PolarHBondContact O-OG1 3.22Å; L47-T50 PolarHBondContact O-N 3.26Å; T50-I53 PolarHBondContact O-N 2.71Å; T50-I54 HydrophobicContact CG2-CD1 4.34Å; T50-I54 WeakPolarHBondContact O-CG1 3.07Å; T50-I54 PolarHBondContact O-N 3.03Å
51S96.3Very high95.2Very high4 Ų458.2 Ų58.23%0.02829%0.285CS..Hα-helixtrans-59.5-45.5174.4-179.20000111.8P19 N23 L47 D48 Y49 I54 Y55P19-S51 WeakPolarHBondContact CB-OG 3.38Å; N23-S51 PolarHBondContact ND2-OG 3.49Å; L47-S51 WeakPolarHBondContact O-CB 3.5Å; L47-S51 PolarHBondContact O-N 2.91Å; D48-S51 WeakPolarHBondContact O-CB 3.41Å; D48-S51 PolarHBondContact O-N 2.84Å; Y49-S51 VanDerWaalsContact C-N 3.35Å; S51-I54 PolarHBondContact O-N 3.16Å; S51-Y55 PolarHBondContact O-N 3.35Å
52D95.8Very high95.2Very high10 Ų1058.4 Ų58.45%0.05328%0.282CS..Hα-helixtrans-63.4-43.3177.6-76.6-11.4000112.2D48 Y49 I54 Y55 Y56 R115 R118D48-D52 PolarHBondContact O-N 2.9Å; Y49-D52 PolarHBondContact O-N 3.46Å; D52-I54 PolarHBondContact O-N 3.15Å; D52-Y55 WeakPolarHBondContact O-CB 3.46Å; D52-Y55 PolarHBondContact O-N 3.35Å; D52-Y56 HydrophobicContact CB-CE2 4.31Å; D52-Y56 WeakPolarHBondContact O-CD2 3.46Å; D52-Y56 PolarHBondContact O-N 3.16Å; D52-R115 IonicContact OD1-NH2 3.73Å; D52-R115 PolarHBondContact OD1-NH2 3.48Å; D52-R115 IonicContact OD2-CZ 2.98Å; D52-R115 IonicContact OD2-NH1 3.94Å; D52-R115 PolarHBondContact OD2-NH1 3.02Å; D52-R115 IonicContact OD2-NH2 3.23Å; D52-R115 PolarHBondContact OD2-NH2 2.89Å; D52-R118 IonicContact OD1-NE 2.78Å; D52-R118 PolarHBondContact OD1-NE 3.48Å; D52-R118 IonicContact OD1-NH2 3.83Å; D52-R118 IonicContact OD2-CZ 2.74Å; D52-R118 IonicContact OD2-NE 3.55Å; D52-R118 IonicContact OD2-NH2 3.55Å; D52-R118 PolarHBondContact OD2-NH2 3.18Å; D52-R118 VanDerWaalsContact OD2-NH2 3.08Å
53I96.1Very high95.2Very high102 Ų10250.4 Ų50.452%0.52325%0.249SC..Hα-helixtrans-56.1-43175.3-71.1164.3000110.5Y49 T50 Y56 M57Y49-I53 VanDerWaalsContact O-CG1 3.25Å; Y49-I53 WeakPolarHBondContact O-CG1 3.33Å; Y49-I53 PolarHBondContact O-N 3.17Å; T50-I53 PolarHBondContact O-N 2.71Å; I53-Y56 PolarHBondContact O-N 2.86Å; I53-M57 HydrophobicContact CG2-CE 4.05Å; I53-M57 WeakPolarHBondContact O-CG 3.3Å; I53-M57 PolarHBondContact O-N 3.29Å
54I96.9Very high95.1Very high27 Ų2749.5 Ų49.514%0.13824%0.24CC..Hα-helixtrans-65.3-39.1177.2-64.4166000111.4V15 I16 P19 T50 S51 D52 M57 D58V15-I54 HydrophobicContact CG1-CG2 4.44Å; I16-I54 HydrophobicContact CD1-CG2 3.3Å; P19-I54 HydrophobicContact CG-CB 4.14Å; P19-I54 HydrophobicContact CG-CD1 3.63Å; P19-I54 HydrophobicContact CG-CG1 4.5Å; P19-I54 HydrophobicContact CG-CG2 3.92Å; T50-I54 HydrophobicContact CG2-CD1 4.34Å; T50-I54 WeakPolarHBondContact O-CG1 3.07Å; T50-I54 PolarHBondContact O-N 3.03Å; S51-I54 PolarHBondContact O-N 3.16Å; D52-I54 PolarHBondContact O-N 3.15Å; I54-M57 HydrophobicContact CB-CE 4.3Å; I54-M57 HydrophobicContact CG1-CE 3.86Å; I54-M57 PolarHBondContact O-N 3.08Å; I54-D58 WeakPolarHBondContact O-CB 3.33Å; I54-D58 PolarHBondContact O-N 3.44Å
55Y96.3Very high95Very high2 Ų249.5 Ų49.51%0.00824%0.243CC..Hα-helixtrans-63.6-40.4174.9-80.915.3000112.9P19 V20 N23 S51 D52 D58 T59 R118 K121P19-Y55 HydrophobicContact CB-CD1 4.35Å; P19-Y55 HydrophobicContact CB-CE1 3.85Å; V20-Y55 WeakPolarHBondContact CA-OH 3.43Å; V20-Y55 HydrophobicContact CG2-CE1 3.79Å; V20-Y55 WeakPolarHBondContact CG2-OH 3.33Å; N23-Y55 VanDerWaalsContact ND2-CZ 3.32Å; N23-Y55 PolarHBondContact ND2-OH 2.85Å; S51-Y55 PolarHBondContact O-N 3.35Å; D52-Y55 WeakPolarHBondContact O-CB 3.46Å; D52-Y55 PolarHBondContact O-N 3.35Å; Y55-D58 WeakPolarHBondContact O-CB 3.08Å; Y55-D58 PolarHBondContact O-N 3.06Å; Y55-T59 PolarHBondContact O-N 3.35Å; Y55-T59 PolarHBondContact O-OG1 3.1Å; Y55-T59 VanDerWaalsContact O-OG1 3.13Å; Y55-R118 HydrophobicContact CD2-CG 4.48Å; Y55-R118 HydrophobicContact CE2-CB 4.07Å; Y55-R118 HydrophobicContact CE2-CG 4.15Å; Y55-R118 WeakPolarHBondContact CE2-O 3.39Å; Y55-R118 PolarHBondContact OH-O 3.32Å; Y55-K121 HydrophobicContact CD1-CG 4.19Å; Y55-K121 HydrophobicContact CD2-CB 4.28Å; Y55-K121 HydrophobicContact CD2-CD 4.35Å; Y55-K121 HydrophobicContact CD2-CG 4.16Å; Y55-K121 HydrophobicContact CE1-CB 4.25Å; Y55-K121 HydrophobicContact CE1-CG 3.88Å; Y55-K121 HydrophobicContact CE2-CB 3.57Å; Y55-K121 HydrophobicContact CE2-CD 4.47Å; Y55-K121 HydrophobicContact CE2-CG 3.85Å; Y55-K121 HydrophobicContact CG-CD 4.48Å; Y55-K121 HydrophobicContact CG-CG 4.32Å
56Y95.6Very high94.9Very high112 Ų11247.2 Ų47.244%0.43923%0.232SC..Hα-helixtrans-63.8-44.7174.5-74.3-67.5000111.6D52 I53 D58 T59 F60 M97D52-Y56 HydrophobicContact CB-CE2 4.31Å; D52-Y56 WeakPolarHBondContact O-CD2 3.46Å; D52-Y56 PolarHBondContact O-N 3.16Å; I53-Y56 PolarHBondContact O-N 2.86Å; Y56-D58 VanDerWaalsContact C-N 3.28Å; Y56-D58 PolarHBondContact O-N 3.26Å; Y56-T59 PolarHBondContact O-N 3.15Å; Y56-F60 PolarHBondContact O-N 3.24Å; Y56-M97 HydrophobicContact CD1-CG 4.08Å; Y56-M97 HydrophobicContact CD1-SD 3.5Å; Y56-M97 WeakPolarHBondContact CD1-SD 3.2Å; Y56-M97 HydrophobicContact CE1-CB 3.81Å; Y56-M97 HydrophobicContact CE1-CG 3.87Å; Y56-M97 HydrophobicContact CE1-SD 3.74Å; Y56-M97 HydrophobicContact CG-SD 4.44Å; Y56-M97 PolarHBondContact OH-O 3.32Å; Y56-M97 VanDerWaalsContact OH-O 3.06Å
57M95.6Very high94.7Very high85 Ų8545.8 Ų45.842%0.41922%0.217SC..Hα-helixtrans-59.3-40.4173.8-70-170.1-66.600111.3W12 I53 I54 F60 V61W12-M57 HydrophobicContact CH2-CB 3.71Å; W12-M57 HydrophobicContact CH2-CE 4.25Å; W12-M57 HydrophobicContact CH2-SD 4.44Å; W12-M57 HydrophobicContact CZ2-CB 3.89Å; I53-M57 HydrophobicContact CG2-CE 4.05Å; I53-M57 WeakPolarHBondContact O-CG 3.3Å; I53-M57 PolarHBondContact O-N 3.29Å; I54-M57 HydrophobicContact CB-CE 4.3Å; I54-M57 HydrophobicContact CG1-CE 3.86Å; I54-M57 PolarHBondContact O-N 3.08Å; M57-F60 WeakPolarHBondContact O-CB 3.48Å; M57-F60 PolarHBondContact O-N 3.48Å; M57-V61 WeakPolarHBondContact O-CG2 3.49Å; M57-V61 PolarHBondContact O-N 3.36Å
58D95.9Very high94.4Very high0 Ų048.5 Ų48.50%023%0.232CC..Hα-helixtrans-62.4-47179.2-173.855.4000112.7W12 I16 I54 Y55 Y56 F60 V61 R62 K121 R124W12-D58 HydrophobicContact CZ2-CB 4.34Å; W12-D58 PolarHBondContact NE1-OD1 3.39Å; I16-D58 HydrophobicContact CD1-CB 3.63Å; I16-D58 HydrophobicContact CG1-CB 4.17Å; I16-D58 WeakPolarHBondContact CG1-OD1 3.21Å; I54-D58 WeakPolarHBondContact O-CB 3.33Å; I54-D58 PolarHBondContact O-N 3.44Å; Y55-D58 WeakPolarHBondContact O-CB 3.08Å; Y55-D58 PolarHBondContact O-N 3.06Å; Y56-D58 VanDerWaalsContact C-N 3.28Å; Y56-D58 PolarHBondContact O-N 3.26Å; D58-F60 VanDerWaalsContact C-N 3.27Å; D58-F60 PolarHBondContact O-N 3.44Å; D58-V61 PolarHBondContact O-N 3.18Å; D58-R62 WeakPolarHBondContact O-CB 3.42Å; D58-R62 PolarHBondContact O-N 2.95Å; D58-K121 WeakPolarHBondContact OD2-CE 3.41Å; D58-K121 IonicContact OD2-NZ 3.49Å; D58-K121 PolarHBondContact OD2-NZ 3.47Å; D58-K121 VanDerWaalsContact OD2-NZ 3.14Å; D58-R124 IonicContact OD1-CZ 2.74Å; D58-R124 IonicContact OD1-NE 3.92Å; D58-R124 PolarHBondContact OD1-NE 3.3Å; D58-R124 IonicContact OD1-NH2 3.19Å; D58-R124 PolarHBondContact OD1-NH2 2.99Å; D58-R124 IonicContact OD2-CZ 2.68Å; D58-R124 IonicContact OD2-NE 3.12Å; D58-R124 PolarHBondContact OD2-NE 2.86Å; D58-R124 IonicContact OD2-NH2 2.71Å
59T94.6Very high94.2Very high15 Ų1552.7 Ų52.79%0.09225%0.251CS..Hα-helixtrans-61-39.6176.1-56.70000110.6Y55 Y56 R62 S63 Y84 M94 M97 K121Y55-T59 PolarHBondContact O-N 3.35Å; Y55-T59 PolarHBondContact O-OG1 3.1Å; Y55-T59 VanDerWaalsContact O-OG1 3.13Å; Y56-T59 PolarHBondContact O-N 3.15Å; T59-R62 PolarHBondContact O-N 2.82Å; T59-S63 WeakPolarHBondContact O-CB 3.38Å; T59-S63 PolarHBondContact O-N 3.07Å; T59-Y84 HydrophobicContact CG2-CE1 4.33Å; T59-Y84 WeakPolarHBondContact CG2-OH 3.47Å; T59-M94 HydrophobicContact CG2-CE 3.89Å; T59-M97 HydrophobicContact CG2-CE 3.57Å; T59-M97 HydrophobicContact CG2-SD 3.97Å; T59-M97 PolarHBondContact OG1-SD 3.26Å; T59-M97 VanDerWaalsContact OG1-SD 3.33Å; T59-K121 PolarHBondContact OG1-NZ 3.19Å
60F94.1Very high93.9Very high127 Ų12757.2 Ų57.256%0.55728%0.276SS*.Hα-helixtrans-62.8-47.4174177.4-100000112Y56 M57 D58 R62 S63 R64Y56-F60 PolarHBondContact O-N 3.24Å; M57-F60 WeakPolarHBondContact O-CB 3.48Å; M57-F60 PolarHBondContact O-N 3.48Å; D58-F60 VanDerWaalsContact C-N 3.27Å; D58-F60 PolarHBondContact O-N 3.44Å; F60-R62 VanDerWaalsContact C-N 3.35Å; F60-R62 PolarHBondContact O-N 2.6Å; F60-S63 PolarHBondContact O-N 3.09Å; F60-S63 PolarHBondContact O-OG 3.45Å; F60-R64 PolarHBondContact O-N 3.29Å
61V94.1Very high93.4Very high27 Ų2757 Ų5716%0.16429%0.288CS..Hα-helixtrans-57.5-48.4176.3170.70000110.1M2 W12 M57 D58 S63 R64 T65M2-V61 HydrophobicContact CB-CG1 3.93Å; M2-V61 HydrophobicContact CG-CG1 3.85Å; M2-V61 HydrophobicContact SD-CG1 4.39Å; W12-V61 HydrophobicContact CD2-CG2 4.47Å; W12-V61 HydrophobicContact CZ2-CG2 3.96Å; M57-V61 WeakPolarHBondContact O-CG2 3.49Å; M57-V61 PolarHBondContact O-N 3.36Å; D58-V61 PolarHBondContact O-N 3.18Å; V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3.37Å; V61-R64 CarbonylContact O-C 3.55Å; V61-R64 VanDerWaalsContact O-C 3.24Å; V61-R64 WeakPolarHBondContact O-CA 3.49Å; V61-R64 PolarHBondContact O-N 3.3Å; V61-T65 PolarHBondContact O-N 3.49Å; V61-T65 PolarHBondContact O-OG1 3.15Å; V61-T65 VanDerWaalsContact O-OG1 3.05Å
62R91.9Very high93.1Very high37 Ų3763.2 Ų63.214%0.1432%0.32CS..Hα-helixtrans-59.1-39.5177.2-84.3-177.2161.9-101.711.9113.5D58 T59 F60 R64 T65 Y84 R124 E127D58-R62 WeakPolarHBondContact O-CB 3.42Å; D58-R62 PolarHBondContact O-N 2.95Å; T59-R62 PolarHBondContact O-N 2.82Å; F60-R62 VanDerWaalsContact C-N 3.35Å; F60-R62 PolarHBondContact O-N 2.6Å; R62-R64 PolarHBondContact O-N 3.2Å; R62-T65 WeakPolarHBondContact CA-OG1 3.42Å; R62-T65 PolarHBondContact O-N 3.26Å; R62-T65 VanDerWaalsContact O-N 3.12Å; R62-Y84 HydrophobicContact CB-CE2 4.11Å; R62-R124 VanDerWaalsContact CZ-NH1 3.31Å; R62-R124 VanDerWaalsContact NE-NE 3.19Å; R62-E127 IonicContact CZ-OE2 3.26Å; R62-E127 IonicContact NH2-OE2 3.74Å; R62-E127 PolarHBondContact NH2-OE2 3.31Å
63S93.8Very high92.9Very high19 Ų1964.7 Ų64.713%0.13333%0.328CS..THydrogen-bonded Turntrans-62.8-13.3174.983.70000113.5T59 F60 V61 R81T59-S63 WeakPolarHBondContact O-CB 3.38Å; T59-S63 PolarHBondContact O-N 3.07Å; F60-S63 PolarHBondContact O-N 3.09Å; F60-S63 PolarHBondContact O-OG 3.45Å; V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3.37Å; S63-R81 WeakPolarHBondContact O-CG 3.35Å
64R93.2Very high92.8Very high69 Ų6960.9 Ų60.926%0.2631%0.309SS..THydrogen-bonded Turntrans-122.512.9179.5-57.2-65-166.8134.413.8112.7M1 M2 F60 V61 R62 S77M1-R64 CarbonylContact C-O 3.57Å; M1-R64 WeakPolarHBondContact CA-O 3.4Å; M1-R64 WeakPolarHBondContact CG-O 3.26Å; M2-R64 PolarHBondContact N-O 3.03Å; F60-R64 PolarHBondContact O-N 3.29Å; V61-R64 CarbonylContact O-C 3.55Å; V61-R64 VanDerWaalsContact O-C 3.24Å; V61-R64 WeakPolarHBondContact O-CA 3.49Å; V61-R64 PolarHBondContact O-N 3.3Å; R62-R64 PolarHBondContact O-N 3.2Å; R64-S77 VanDerWaalsContact NH1-CB 3.25Å; R64-S77 PolarHBondContact NH1-OG 3.36Å
65T93.1Very high92.4Very high22 Ų2266.3 Ų66.314%0.13533%0.331CS..BIsolated β-bridgetrans-82.3128.8176.2-60.30000109.8M2 P4 Y9 V61 R62 L80M2-T65 CarbonylContact O-C 3.52Å; M2-T65 VanDerWaalsContact O-CA 3.31Å; M2-T65 WeakPolarHBondContact O-CA 3.34Å; P4-T65 HydrophobicContact CB-CG2 4.17Å; P4-T65 HydrophobicContact CG-CG2 4.39Å; Y9-T65 HydrophobicContact CE2-CG2 4.21Å; V61-T65 PolarHBondContact O-N 3.49Å; V61-T65 PolarHBondContact O-OG1 3.15Å; V61-T65 VanDerWaalsContact O-OG1 3.05Å; R62-T65 WeakPolarHBondContact CA-OG1 3.42Å; R62-T65 PolarHBondContact O-N 3.26Å; R62-T65 VanDerWaalsContact O-N 3.12Å; T65-L80 WeakPolarHBondContact O-CD2 3.41Å
66G91.3Very high92.3Very high6 Ų669.9 Ų69.96%0.06235%0.351CS..  trans-66.9155.6178.100000112.8M2 P4M2-G66 PolarHBondContact O-N 3.16Å; P4-G66 WeakPolarHBondContact CD-O 3.44Å; P4-G66 WeakPolarHBondContact CG-O 3.23Å
67Y91.2Very high92.1Very high59 Ų5966.2 Ų66.223%0.23134%0.341CS..EExtended strand (participates in β ladder)trans-130.9159.2168.768.6-88.2000109.3E69 V74 L80 K83Y67-E69 HydrophobicContact CD2-CB 4.4Å; Y67-E69 HydrophobicContact CE2-CB 3.84Å; Y67-E69 HydrophobicContact CE2-CG 4.31Å; Y67-E69 WeakPolarHBondContact CE2-OE2 3.46Å; Y67-E69 PolarHBondContact OH-OE2 3.18Å; Y67-V74 HydrophobicContact CD1-CB 4.47Å; Y67-V74 HydrophobicContact CE1-CB 4.07Å; Y67-V74 HydrophobicContact CE1-CG1 4.11Å; Y67-V74 HydrophobicContact CE2-CB 4.36Å; Y67-V74 HydrophobicContact CE2-CG2 3.95Å; Y67-V74 PolarHBondContact O-N 3.31Å; Y67-L80 HydrophobicContact CD1-CD2 3.59Å; Y67-L80 HydrophobicContact CE1-CD2 3.75Å; Y67-K83 HydrophobicContact CD1-CB 4.3Å; Y67-K83 HydrophobicContact CD1-CG 4.11Å; Y67-K83 HydrophobicContact CE1-CB 3.96Å; Y67-K83 HydrophobicContact CE1-CG 4.11Å
68L90.8Very high92Very high124 Ų12470.3 Ų70.365%0.64936%0.357SS*.EExtended strand (participates in β ladder)trans-87.3128.1176.9-67172.3000109.9L72 L73L68-L72 WeakPolarHBondContact CA-O 3.42Å; L68-L73 HydrophobicContact CD2-CB 4.31Å; L68-L73 HydrophobicContact CD2-CD1 4.48Å
69E90.1Very high91.9Very high93 Ų9375.6 Ų75.644%0.43538%0.38SS..EExtended strand (participates in β ladder)trans-126.7118.5172-163.1167.5176.500107.2Y67 G71 L72 V74Y67-E69 HydrophobicContact CD2-CB 4.4Å; Y67-E69 HydrophobicContact CE2-CB 3.84Å; Y67-E69 HydrophobicContact CE2-CG 4.31Å; Y67-E69 WeakPolarHBondContact CE2-OE2 3.46Å; Y67-E69 PolarHBondContact OH-OE2 3.18Å; E69-G71 PolarHBondContact O-N 3.18Å; E69-G71 VanDerWaalsContact O-N 3.17Å; E69-L72 PolarHBondContact N-O 3.25Å; E69-L72 PolarHBondContact O-N 2.98Å; E69-V74 HydrophobicContact CB-CG2 3.45Å; E69-V74 VanDerWaalsContact CB-CG2 3.45Å; E69-V74 HydrophobicContact CG-CG2 4.5Å; E69-V74 WeakPolarHBondContact OE2-CG2 3.36Å
70Q89.8Confident91.9Very high192 Ų19275 Ų7590%0.89738%0.376SS*.THydrogen-bonded Turntrans53.434.2-174.3-57.8177.9-35.800113.8L72Q70-L72 PolarHBondContact O-N 3.45Å
71G86.1Confident91.8Very high66 Ų6673.7 Ų73.768%0.6837%0.368SS*.THydrogen-bonded Turntrans79.3-3-178.800000115.1E69E69-G71 PolarHBondContact O-N 3.18Å; E69-G71 VanDerWaalsContact O-N 3.17Å
72L89.6Confident91.8Very high133 Ų13375.1 Ų75.170%0.69638%0.382SS*.EExtended strand (participates in β ladder)trans-102.8138.8176-64.8176000111.2L68 E69 Q70 V74L68-L72 WeakPolarHBondContact CA-O 3.42Å; E69-L72 PolarHBondContact N-O 3.25Å; E69-L72 PolarHBondContact O-N 2.98Å; Q70-L72 PolarHBondContact O-N 3.45Å; L72-V74 PolarHBondContact O-N 3.1Å
73L92Very high91.9Very high42 Ų4278.6 Ų78.622%0.2240%0.398CS..EExtended strand (participates in β ladder)trans-74.1112177.7-176.468.8000110.4M1 D3 L68M1-L73 HydrophobicContact CE-CD1 4.4Å; M1-L73 HydrophobicContact CE-CD2 3.96Å; M1-L73 HydrophobicContact CE-CG 4.01Å; D3-L73 HydrophobicContact CB-CD2 4.18Å; D3-L73 VanDerWaalsContact OD2-CD2 3.28Å; D3-L73 WeakPolarHBondContact OD2-CD2 3.43Å; L68-L73 HydrophobicContact CD2-CB 4.31Å; L68-L73 HydrophobicContact CD2-CD1 4.48Å
74V92.3Very high91.9Very high22 Ų2278.6 Ų78.613%0.13340%0.396CS..EExtended strand (participates in β ladder)trans-74.2127.6175.7-1780000109.7M1 Y67 E69 L72 K79 L80M1-V74 WeakPolarHBondContact CE-O 3.46Å; Y67-V74 HydrophobicContact CD1-CB 4.47Å; Y67-V74 HydrophobicContact CE1-CB 4.07Å; Y67-V74 HydrophobicContact CE1-CG1 4.11Å; Y67-V74 HydrophobicContact CE2-CB 4.36Å; Y67-V74 HydrophobicContact CE2-CG2 3.95Å; Y67-V74 PolarHBondContact O-N 3.31Å; E69-V74 HydrophobicContact CB-CG2 3.45Å; E69-V74 VanDerWaalsContact CB-CG2 3.45Å; E69-V74 HydrophobicContact CG-CG2 4.5Å; E69-V74 WeakPolarHBondContact OE2-CG2 3.36Å; L72-V74 PolarHBondContact O-N 3.1Å; V74-K79 HydrophobicContact CG1-CB 4.18Å; V74-K79 HydrophobicContact CG1-CD 4.06Å; V74-L80 HydrophobicContact CG1-CD2 4.46Å
75K89.6Confident92Very high140 Ų14083.3 Ų83.361%0.60941%0.413SS*.  trans-112.1-11.8-176.4-52.1-160.7173.6173.70114.7M1 S77M1-K75 HydrophobicContact CE-CB 3.97Å; M1-K75 HydrophobicContact CE-CD 4.32Å; M1-K75 HydrophobicContact CE-CG 3.66Å; M1-K75 HydrophobicContact SD-CB 3.48Å; M1-K75 WeakPolarHBondContact SD-CB 3.17Å; M1-K75 HydrophobicContact SD-CD 3.79Å; M1-K75 HydrophobicContact SD-CG 3.54Å; M1-K75 VanDerWaalsContact SD-CG 3.54Å; K75-S77 PolarHBondContact O-N 3.31Å
76D93.1Very high92Very high77 Ų7787.2 Ų87.241%0.41244%0.437SS..  trans-67.3116-175.8-179.3-13.8000111.5K78 K79 L80D76-K78 VanDerWaalsContact C-N 3.25Å; D76-K78 PolarHBondContact O-N 2.86Å; D76-K78 VanDerWaalsContact O-N 3.17Å; D76-K78 PolarHBondContact OD1-N 2.93Å; D76-K79 HydrophobicContact CB-CB 4.2Å; D76-K79 HydrophobicContact CB-CD 4.11Å; D76-K79 HydrophobicContact CB-CG 4.05Å; D76-K79 PolarHBondContact O-N 3.12Å; D76-L80 WeakPolarHBondContact O-CG 3.32Å; D76-L80 PolarHBondContact O-N 3.49Å
77S91.9Very high92.1Very high35 Ų3590 Ų9025%0.24545%0.453CS..Hα-helixtrans-59.1-29.4-176.9-66.30000114.7R64 K75 R81R64-S77 VanDerWaalsContact NH1-CB 3.25Å; R64-S77 PolarHBondContact NH1-OG 3.36Å; K75-S77 PolarHBondContact O-N 3.31Å; S77-R81 VanDerWaalsContact O-CG 3.31Å; S77-R81 WeakPolarHBondContact O-CG 3.46Å; S77-R81 PolarHBondContact O-N 3.29Å
78K93.8Very high92Very high171 Ų17190.7 Ų90.774%0.74347%0.467SS*.Hα-helixtrans-70.8-44.6176-70.9-179.5176.3176.80110.4D76 R81 A82D76-K78 VanDerWaalsContact C-N 3.25Å; D76-K78 PolarHBondContact O-N 2.86Å; D76-K78 VanDerWaalsContact O-N 3.17Å; D76-K78 PolarHBondContact OD1-N 2.93Å; K78-R81 PolarHBondContact O-N 3.21Å; K78-A82 WeakPolarHBondContact O-CB 3.28Å; K78-A82 PolarHBondContact O-N 2.95Å
79K93.4Very high92Very high112 Ų11285.8 Ų85.849%0.48744%0.441SS..Hα-helixtrans-63.4-43.6176.6-64.1-173.2-179.6-1740111.8V74 D76 R81 A82 K83V74-K79 HydrophobicContact CG1-CB 4.18Å; V74-K79 HydrophobicContact CG1-CD 4.06Å; D76-K79 HydrophobicContact CB-CB 4.2Å; D76-K79 HydrophobicContact CB-CD 4.11Å; D76-K79 HydrophobicContact CB-CG 4.05Å; D76-K79 PolarHBondContact O-N 3.12Å; K79-R81 PolarHBondContact O-N 3.26Å; K79-A82 PolarHBondContact O-N 2.85Å; K79-K83 WeakPolarHBondContact O-CB 3.22Å; K79-K83 PolarHBondContact O-N 3.03Å
80L93.9Very high92.1Very high3 Ų384 Ų842%0.01643%0.431CS..Hα-helixtrans-59.1-48.1178.1-61.4-174.1000112.1M1 T65 Y67 V74 D76 K83 Y84M1-L80 HydrophobicContact CG-CD1 4.14Å; T65-L80 WeakPolarHBondContact O-CD2 3.41Å; Y67-L80 HydrophobicContact CD1-CD2 3.59Å; Y67-L80 HydrophobicContact CE1-CD2 3.75Å; V74-L80 HydrophobicContact CG1-CD2 4.46Å; D76-L80 WeakPolarHBondContact O-CG 3.32Å; D76-L80 PolarHBondContact O-N 3.49Å; L80-K83 PolarHBondContact O-N 3.38Å; L80-Y84 WeakPolarHBondContact O-CB 3.36Å; L80-Y84 PolarHBondContact O-N 3.36Å
81R93.5Very high92.3Very high99 Ų9981.7 Ų81.737%0.37442%0.419SS..Hα-helixtrans-65.4-42.3178.1-69.4177-168.4173.62.7112.3S63 S77 K78 K79 K83 Y84 R85S63-R81 WeakPolarHBondContact O-CG 3.35Å; S77-R81 VanDerWaalsContact O-CG 3.31Å; S77-R81 WeakPolarHBondContact O-CG 3.46Å; S77-R81 PolarHBondContact O-N 3.29Å; K78-R81 PolarHBondContact O-N 3.21Å; K79-R81 PolarHBondContact O-N 3.26Å; R81-K83 VanDerWaalsContact C-N 3.35Å; R81-Y84 PolarHBondContact O-N 3.11Å; R81-R85 WeakPolarHBondContact O-CG 3.47Å; R81-R85 PolarHBondContact O-N 3.28Å
82A94.3Very high92.7Very high57 Ų5783.7 Ų83.747%0.47141%0.406SS..Hα-helixtrans-60.7-46.9177.700000110.6K78 K79 R85 T86K78-A82 WeakPolarHBondContact O-CB 3.28Å; K78-A82 PolarHBondContact O-N 2.95Å; K79-A82 PolarHBondContact O-N 2.85Å; A82-R85 PolarHBondContact O-N 3.18Å; A82-T86 PolarHBondContact O-N 3.27Å
83K92.9Very high92.9Very high109 Ų10977.3 Ų77.347%0.47437%0.373SS..Hα-helixtrans-61.2-48.6176.2-175.563.4177.5-177.60111.6Y67 K79 L80 R81 R85 T86 T87Y67-K83 HydrophobicContact CD1-CB 4.3Å; Y67-K83 HydrophobicContact CD1-CG 4.11Å; Y67-K83 HydrophobicContact CE1-CB 3.96Å; Y67-K83 HydrophobicContact CE1-CG 4.11Å; K79-K83 WeakPolarHBondContact O-CB 3.22Å; K79-K83 PolarHBondContact O-N 3.03Å; L80-K83 PolarHBondContact O-N 3.38Å; R81-K83 VanDerWaalsContact C-N 3.35Å; K83-R85 VanDerWaalsContact C-N 3.31Å; K83-R85 PolarHBondContact O-N 3.32Å; K83-T86 PolarHBondContact O-N 3.47Å; K83-T86 PolarHBondContact O-OG1 2.75Å; K83-T87 PolarHBondContact O-N 3.38Å; K83-T87 PolarHBondContact O-OG1 3.2Å
84Y93.8Very high93Very high20 Ų2078.5 Ų78.58%0.07838%0.378CS..Hα-helixtrans-57.5-42179.6173.7-127.9000112.4T59 R62 L80 R81 T86 T87 F90 D93T59-Y84 HydrophobicContact CG2-CE1 4.33Å; T59-Y84 WeakPolarHBondContact CG2-OH 3.47Å; R62-Y84 HydrophobicContact CB-CE2 4.11Å; L80-Y84 WeakPolarHBondContact O-CB 3.36Å; L80-Y84 PolarHBondContact O-N 3.36Å; R81-Y84 PolarHBondContact O-N 3.11Å; Y84-T86 PolarHBondContact O-N 2.81Å; Y84-T87 WeakPolarHBondContact O-CB 3.3Å; Y84-T87 PolarHBondContact O-N 2.84Å; Y84-T87 VanDerWaalsContact O-N 3.08Å; Y84-F90 AromaticContact CD1-CD2 3.92Å; Y84-F90 HydrophobicContact CD1-CD2 3.92Å; Y84-F90 HydrophobicContact CD2-CB 4.41Å; Y84-F90 AromaticContact CE1-CD2 3.52Å; Y84-F90 HydrophobicContact CE1-CD2 3.52Å; Y84-F90 HydrophobicContact CE1-CE2 4.21Å; Y84-F90 HydrophobicContact CE2-CB 4.13Å; Y84-F90 HydrophobicContact CE2-CD2 4.49Å; Y84-F90 AromaticContact CZ-CD2 3.82Å; Y84-F90 VanDerWaalsContact O-CB 3.31Å; Y84-F90 WeakPolarHBondContact O-CB 3.26Å; Y84-D93 WeakPolarHBondContact OH-CB 3.35Å; Y84-D93 VanDerWaalsContact OH-CG 3.3Å; Y84-D93 PolarHBondContact OH-OD2 2.92Å
85R94.7Very high93.1Very high167 Ų16780.9 Ų80.963%0.6339%0.389SS*.Hα-helixtrans-61.7-25.1176.7-73.3176.3-170.1-176.71114.2R81 A82 K83 F90R81-R85 WeakPolarHBondContact O-CG 3.47Å; R81-R85 PolarHBondContact O-N 3.28Å; A82-R85 PolarHBondContact O-N 3.18Å; K83-R85 VanDerWaalsContact C-N 3.31Å; K83-R85 PolarHBondContact O-N 3.32Å; R85-F90 HydrophobicContact CG-CD2 4.39Å; R85-F90 HydrophobicContact CG-CE1 4.41Å; R85-F90 HydrophobicContact CG-CE2 4.15Å; R85-F90 HydrophobicContact CG-CZ 4.18Å
86T94.1Very high93.3Very high105 Ų10574.2 Ų74.264%0.64436%0.36SS*.Hα-helixtrans-81.8-20.1176.963.80000113.2A82 K83 Y84A82-T86 PolarHBondContact O-N 3.27Å; K83-T86 PolarHBondContact O-N 3.47Å; K83-T86 PolarHBondContact O-OG1 2.75Å; Y84-T86 PolarHBondContact O-N 2.81Å
87T92.2Very high93.2Very high63 Ų6371.8 Ų71.839%0.38735%0.347SS..SBendtrans-77.8138.3-178.1-52.70000110.9K83 Y84 Q89 F90K83-T87 PolarHBondContact O-N 3.38Å; K83-T87 PolarHBondContact O-OG1 3.2Å; Y84-T87 WeakPolarHBondContact O-CB 3.3Å; Y84-T87 PolarHBondContact O-N 2.84Å; Y84-T87 VanDerWaalsContact O-N 3.08Å; T87-Q89 HydrophobicContact CG2-CB 3.97Å; T87-Q89 PolarHBondContact O-N 3.28Å; T87-F90 WeakPolarHBondContact O-CB 3.18Å; T87-F90 PolarHBondContact O-N 3.44Å
88S89.8Confident93.4Very high75 Ų7574.4 Ų74.452%0.52436%0.357SS..Hα-helixtrans-54.2-29.7176.7-60.20000113.6F90 K91 Y92S88-F90 PolarHBondContact O-N 2.91Å; S88-K91 WeakPolarHBondContact O-CB 3.4Å; S88-K91 PolarHBondContact O-N 3.31Å; S88-Y92 WeakPolarHBondContact O-CD2 3.25Å; S88-Y92 PolarHBondContact O-N 3.01Å
89Q90.1Very high93.3Very high21 Ų2169.1 Ų69.110%0.09834%0.34CS..Hα-helixtrans-55.5-37.2174.6-171.666.832.400113.5T87 K91 Y92 D93T87-Q89 HydrophobicContact CG2-CB 3.97Å; T87-Q89 PolarHBondContact O-N 3.28Å; Q89-K91 PolarHBondContact O-N 2.89Å; Q89-Y92 PolarHBondContact O-N 3.49Å; Q89-D93 PolarHBondContact NE2-OD1 3.25Å; Q89-D93 WeakPolarHBondContact O-CB 3.45Å; Q89-D93 VanDerWaalsContact O-CG 3.26Å; Q89-D93 PolarHBondContact O-N 3.34Å
90F93.1Very high93.2Very high55 Ų5565.7 Ų65.724%0.24133%0.329CS..Hα-helixtrans-58.4-38.4177.7174.8-101.4000111.3Y84 R85 T87 S88 D93 M94Y84-F90 AromaticContact CD1-CD2 3.92Å; Y84-F90 HydrophobicContact CD1-CD2 3.92Å; Y84-F90 HydrophobicContact CD2-CB 4.41Å; Y84-F90 AromaticContact CE1-CD2 3.52Å; Y84-F90 HydrophobicContact CE1-CD2 3.52Å; Y84-F90 HydrophobicContact CE1-CE2 4.21Å; Y84-F90 HydrophobicContact CE2-CB 4.13Å; Y84-F90 HydrophobicContact CE2-CD2 4.49Å; Y84-F90 AromaticContact CZ-CD2 3.82Å; Y84-F90 VanDerWaalsContact O-CB 3.31Å; Y84-F90 WeakPolarHBondContact O-CB 3.26Å; R85-F90 HydrophobicContact CG-CD2 4.39Å; R85-F90 HydrophobicContact CG-CE1 4.41Å; R85-F90 HydrophobicContact CG-CE2 4.15Å; R85-F90 HydrophobicContact CG-CZ 4.18Å; T87-F90 WeakPolarHBondContact O-CB 3.18Å; T87-F90 PolarHBondContact O-N 3.44Å; S88-F90 PolarHBondContact O-N 2.91Å; F90-D93 PolarHBondContact O-N 3.22Å; F90-M94 HydrophobicContact CD1-CG 4.2Å; F90-M94 HydrophobicContact CD2-CE 3.69Å; F90-M94 HydrophobicContact CD2-CG 4.42Å; F90-M94 HydrophobicContact CD2-SD 4.46Å; F90-M94 HydrophobicContact CE1-CG 3.75Å; F90-M94 HydrophobicContact CE1-SD 4.36Å; F90-M94 HydrophobicContact CE2-CE 3.37Å; F90-M94 HydrophobicContact CE2-CG 4.03Å; F90-M94 HydrophobicContact CE2-SD 3.71Å; F90-M94 HydrophobicContact CG-CE 4.5Å; F90-M94 HydrophobicContact CZ-CE 3.95Å; F90-M94 HydrophobicContact CZ-CG 3.66Å; F90-M94 HydrophobicContact CZ-SD 3.64Å; F90-M94 VanDerWaalsContact O-CG 3.3Å; F90-M94 WeakPolarHBondContact O-CG 3.46Å; F90-M94 PolarHBondContact O-N 3.37Å
91K93.4Very high93Very high144 Ų14465.7 Ų65.763%0.62633%0.329SS*.Hα-helixtrans-62.4-48177.1-58.6-177.9-179.4179.20111.3S88 Q89 D93 M94 I95S88-K91 WeakPolarHBondContact O-CB 3.4Å; S88-K91 PolarHBondContact O-N 3.31Å; Q89-K91 PolarHBondContact O-N 2.89Å; K91-D93 VanDerWaalsContact C-N 3.33Å; K91-D93 PolarHBondContact O-N 3.37Å; K91-M94 PolarHBondContact O-N 2.87Å; K91-I95 WeakPolarHBondContact O-CG1 3.26Å; K91-I95 PolarHBondContact O-N 3.46Å
92Y94.2Very high92.8Very high107 Ų10765.9 Ų65.942%0.4234%0.337SS..Hα-helixtrans-63.3-39.9177.3-63.7-61.2000112.3S88 Q89 I95 S96 C120S88-Y92 WeakPolarHBondContact O-CD2 3.25Å; S88-Y92 PolarHBondContact O-N 3.01Å; Q89-Y92 PolarHBondContact O-N 3.49Å; Y92-I95 PolarHBondContact O-N 3.41Å; Y92-S96 WeakPolarHBondContact O-CB 3.28Å; Y92-S96 PolarHBondContact O-N 2.77Å; Y92-S96 PolarHBondContact O-OG 3.33Å; Y92-C120 HydrophobicContact CD1-CB 4.45Å
93D93.8Very high92.7Very high0 Ų066.3 Ų66.30%033%0.331CS..Hα-helixtrans-63.7-42.5176.9-69.3-21.9000110.8Y84 Q89 F90 K91 S96 M97 K121Y84-D93 WeakPolarHBondContact OH-CB 3.35Å; Y84-D93 VanDerWaalsContact OH-CG 3.3Å; Y84-D93 PolarHBondContact OH-OD2 2.92Å; Q89-D93 PolarHBondContact NE2-OD1 3.25Å; Q89-D93 WeakPolarHBondContact O-CB 3.45Å; Q89-D93 VanDerWaalsContact O-CG 3.26Å; Q89-D93 PolarHBondContact O-N 3.34Å; F90-D93 PolarHBondContact O-N 3.22Å; K91-D93 VanDerWaalsContact C-N 3.33Å; K91-D93 PolarHBondContact O-N 3.37Å; D93-S96 PolarHBondContact O-N 3.42Å; D93-S96 PolarHBondContact O-OG 3.41Å; D93-M97 VanDerWaalsContact O-CE 3.3Å; D93-M97 WeakPolarHBondContact O-CE 3.33Å; D93-M97 WeakPolarHBondContact O-CG 3.5Å; D93-M97 PolarHBondContact O-N 2.97Å; D93-K121 WeakPolarHBondContact OD1-CD 3.29Å; D93-K121 WeakPolarHBondContact OD1-CE 3.23Å; D93-K121 IonicContact OD1-NZ 3.77Å; D93-K121 PolarHBondContact OD1-NZ 2.9Å; D93-K121 IonicContact OD2-NZ 2.74Å
94M94.5Very high92.4Very high66 Ų6661.7 Ų61.733%0.32531%0.311SS..Hα-helixtrans-63.1-46.3176.5-68.4-46.395.500111.7T59 F90 K91 S96 M97 I98T59-M94 HydrophobicContact CG2-CE 3.89Å; F90-M94 HydrophobicContact CD1-CG 4.2Å; F90-M94 HydrophobicContact CD2-CE 3.69Å; F90-M94 HydrophobicContact CD2-CG 4.42Å; F90-M94 HydrophobicContact CD2-SD 4.46Å; F90-M94 HydrophobicContact CE1-CG 3.75Å; F90-M94 HydrophobicContact CE1-SD 4.36Å; F90-M94 HydrophobicContact CE2-CE 3.37Å; F90-M94 HydrophobicContact CE2-CG 4.03Å; F90-M94 HydrophobicContact CE2-SD 3.71Å; F90-M94 HydrophobicContact CG-CE 4.5Å; F90-M94 HydrophobicContact CZ-CE 3.95Å; F90-M94 HydrophobicContact CZ-CG 3.66Å; F90-M94 HydrophobicContact CZ-SD 3.64Å; F90-M94 VanDerWaalsContact O-CG 3.3Å; F90-M94 WeakPolarHBondContact O-CG 3.46Å; F90-M94 PolarHBondContact O-N 3.37Å; K91-M94 PolarHBondContact O-N 2.87Å; M94-S96 VanDerWaalsContact C-N 3.3Å; M94-S96 PolarHBondContact O-N 3.12Å; M94-M97 HydrophobicContact CE-CE 3.13Å; M94-M97 PolarHBondContact O-N 3.45Å; M94-M97 HydrophobicContact SD-CE 3.83Å; M94-I98 WeakPolarHBondContact O-CG1 3.24Å; M94-I98 PolarHBondContact O-N 2.88Å
95I95.1Very high92.2Very high73 Ų7367.5 Ų67.537%0.37434%0.342SS..Hα-helixtrans-59.6-42.8178.2-66.4165.6000110.7K91 Y92 M97 I98 N117 C120K91-I95 WeakPolarHBondContact O-CG1 3.26Å; K91-I95 PolarHBondContact O-N 3.46Å; Y92-I95 PolarHBondContact O-N 3.41Å; I95-M97 PolarHBondContact O-N 3.39Å; I95-I98 PolarHBondContact O-N 3.3Å; I95-N117 HydrophobicContact CG2-CB 4.26Å; I95-N117 PolarHBondContact O-ND2 2.79Å; I95-C120 HydrophobicContact CG2-CB 4.37Å
96S94.5Very high92Very high0 Ų066.3 Ų66.30%034%0.344CS..Hα-helixtrans-66.1-20.3-179.171.90000114.8Y92 D93 M94 N117Y92-S96 WeakPolarHBondContact O-CB 3.28Å; Y92-S96 PolarHBondContact O-N 2.77Å; Y92-S96 PolarHBondContact O-OG 3.33Å; D93-S96 PolarHBondContact O-N 3.42Å; D93-S96 PolarHBondContact O-OG 3.41Å; M94-S96 VanDerWaalsContact C-N 3.3Å; M94-S96 PolarHBondContact O-N 3.12Å; S96-N117 VanDerWaalsContact CA-O 3.3Å; S96-N117 WeakPolarHBondContact CA-O 3.4Å
97M91.3Very high91.7Very high26 Ų2667.8 Ų67.813%0.12834%0.339CS..Hα-helixtrans-98.6-5.3-179-68.8-175.3-62.800113.6Y56 T59 D93 M94 I95 P99Y56-M97 HydrophobicContact CD1-CG 4.08Å; Y56-M97 HydrophobicContact CD1-SD 3.5Å; Y56-M97 WeakPolarHBondContact CD1-SD 3.2Å; Y56-M97 HydrophobicContact CE1-CB 3.81Å; Y56-M97 HydrophobicContact CE1-CG 3.87Å; Y56-M97 HydrophobicContact CE1-SD 3.74Å; Y56-M97 HydrophobicContact CG-SD 4.44Å; Y56-M97 PolarHBondContact OH-O 3.32Å; Y56-M97 VanDerWaalsContact OH-O 3.06Å; T59-M97 HydrophobicContact CG2-CE 3.57Å; T59-M97 HydrophobicContact CG2-SD 3.97Å; T59-M97 PolarHBondContact OG1-SD 3.26Å; T59-M97 VanDerWaalsContact OG1-SD 3.33Å; D93-M97 VanDerWaalsContact O-CE 3.3Å; D93-M97 WeakPolarHBondContact O-CE 3.33Å; D93-M97 WeakPolarHBondContact O-CG 3.5Å; D93-M97 PolarHBondContact O-N 2.97Å; M94-M97 HydrophobicContact CE-CE 3.13Å; M94-M97 PolarHBondContact O-N 3.45Å; M94-M97 HydrophobicContact SD-CE 3.83Å; I95-M97 PolarHBondContact O-N 3.39Å; M97-P99 WeakPolarHBondContact O-CD 3.22Å
98I94.2Very high91.5Very high89 Ų8966.1 Ų66.146%0.45633%0.334SS..  trans-61.2123.3176.1-58.3176.3000108.1M94 I95 T100 N117 R118M94-I98 WeakPolarHBondContact O-CG1 3.24Å; M94-I98 PolarHBondContact O-N 2.88Å; I95-I98 PolarHBondContact O-N 3.3Å; I98-T100 HydrophobicContact CB-CG2 4.29Å; I98-T100 HydrophobicContact CG2-CG2 3.75Å; I98-T100 PolarHBondContact O-N 2.92Å; I98-N117 PolarHBondContact O-ND2 3.4Å; I98-R118 PolarHBondContact O-NH1 2.87Å
99P92.2Very high91.4Very high61 Ų6166.4 Ų66.440%0.39633%0.326SS..  trans-79.959.8-17634.7-37.5000111.5M97 D101 L102M97-P99 WeakPolarHBondContact O-CD 3.22Å; P99-D101 WeakPolarHBondContact CA-OD1 3.49Å; P99-D101 PolarHBondContact O-N 3.43Å; P99-L102 HydrophobicContact CB-CD1 3.98Å; P99-L102 HydrophobicContact CB-CG 4.1Å; P99-L102 HydrophobicContact CG-CD1 3.93Å; P99-L102 WeakPolarHBondContact O-CB 3.29Å; P99-L102 WeakPolarHBondContact O-CG 3.43Å; P99-L102 PolarHBondContact O-N 3.08Å; P99-L102 VanDerWaalsContact O-N 3.12Å
100T92.7Very high91.2Very high39 Ų3969.3 Ų69.324%0.23934%0.342CS..G310 helixtrans-62.9-18.417848.20000113.4I98 L102 L103 F114 N117 R118I98-T100 HydrophobicContact CB-CG2 4.29Å; I98-T100 HydrophobicContact CG2-CG2 3.75Å; I98-T100 PolarHBondContact O-N 2.92Å; T100-L102 PolarHBondContact O-N 3.19Å; T100-L103 VanDerWaalsContact O-CB 3.29Å; T100-L103 WeakPolarHBondContact O-CB 3.44Å; T100-L103 WeakPolarHBondContact O-CD1 3.42Å; T100-L103 VanDerWaalsContact O-CG 3.23Å; T100-L103 WeakPolarHBondContact O-CG 3.09Å; T100-L103 PolarHBondContact O-N 3.43Å; T100-F114 WeakPolarHBondContact CB-O 3.36Å; T100-F114 PolarHBondContact OG1-O 2.93Å; T100-N117 PolarHBondContact OG1-OD1 3.47Å; T100-R118 PolarHBondContact OG1-NH1 2.96Å
101D88.2Confident91Very high4 Ų468.8 Ų68.82%0.02134%0.342CS..G310 helixtrans-67.8-15.7172.355-45.3000113.9Y49 P99 L103 F104 R115 R118Y49-D101 VanDerWaalsContact CE1-OD2 3.31Å; Y49-D101 WeakPolarHBondContact CE1-OD2 3.48Å; Y49-D101 PolarHBondContact OH-OD2 3.43Å; P99-D101 WeakPolarHBondContact CA-OD1 3.49Å; P99-D101 PolarHBondContact O-N 3.43Å; D101-L103 PolarHBondContact O-N 2.91Å; D101-L103 VanDerWaalsContact O-N 3.11Å; D101-F104 HydrophobicContact CB-CD2 4Å; D101-F104 HydrophobicContact CB-CE2 3.7Å; D101-F104 HydrophobicContact CB-CZ 4.12Å; D101-F104 WeakPolarHBondContact O-CB 3.11Å; D101-F104 WeakPolarHBondContact O-CD2 3.22Å; D101-F104 WeakPolarHBondContact O-CG 2.92Å; D101-F104 PolarHBondContact O-N 3.11Å; D101-R115 HydrophobicContact CB-CG 3.95Å; D101-R115 IonicContact OD1-NH1 2.6Å; D101-R115 IonicContact OD2-NH1 2.84Å; D101-R115 PolarHBondContact OD2-NH1 3.13Å; D101-R118 IonicContact OD1-CZ 2.63Å; D101-R118 IonicContact OD1-NH1 3.88Å; D101-R118 IonicContact OD1-NH2 2.74Å; D101-R118 PolarHBondContact OD1-NH2 3.26Å; D101-R118 IonicContact OD2-NH2 3.97Å
102L89.4Confident90.9Very high102 Ų10261.9 Ų61.953%0.53431%0.312SS..G310 helixtrans-59.3-21.3169.9-67.1175.6000112.3P99 T100 F104 L105P99-L102 HydrophobicContact CB-CD1 3.98Å; P99-L102 HydrophobicContact CB-CG 4.1Å; P99-L102 HydrophobicContact CG-CD1 3.93Å; P99-L102 WeakPolarHBondContact O-CB 3.29Å; P99-L102 WeakPolarHBondContact O-CG 3.43Å; P99-L102 PolarHBondContact O-N 3.08Å; P99-L102 VanDerWaalsContact O-N 3.12Å; T100-L102 PolarHBondContact O-N 3.19Å; L102-F104 PolarHBondContact O-N 3.5Å; L102-L105 WeakPolarHBondContact O-CB 3.23Å; L102-L105 PolarHBondContact O-N 2.95Å; L102-L105 VanDerWaalsContact O-N 3.1Å
103L91.6Very high90.9Very high66 Ų6660.1 Ų60.135%0.34631%0.308SS..G310 helixtrans-60.4-19.8171.2-64176.2000112.8T100 D101 L105 Q106 Y107 F114T100-L103 VanDerWaalsContact O-CB 3.29Å; T100-L103 WeakPolarHBondContact O-CB 3.44Å; T100-L103 WeakPolarHBondContact O-CD1 3.42Å; T100-L103 VanDerWaalsContact O-CG 3.23Å; T100-L103 WeakPolarHBondContact O-CG 3.09Å; T100-L103 PolarHBondContact O-N 3.43Å; D101-L103 PolarHBondContact O-N 2.91Å; D101-L103 VanDerWaalsContact O-N 3.11Å; L103-L105 PolarHBondContact O-N 3.11Å; L103-Q106 PolarHBondContact O-N 3.34Å; L103-Q106 VanDerWaalsContact O-N 3.12Å; L103-Y107 HydrophobicContact CB-CD2 4.16Å; L103-Y107 HydrophobicContact CD2-CD2 4.45Å; L103-Y107 HydrophobicContact CD2-CE2 4.19Å; L103-Y107 WeakPolarHBondContact O-CD2 3.37Å; L103-Y107 PolarHBondContact O-N 3.11Å; L103-F114 HydrophobicContact CB-CD2 3.78Å; L103-F114 HydrophobicContact CB-CE2 3.95Å; L103-F114 HydrophobicContact CB-CG 4.14Å; L103-F114 HydrophobicContact CB-CZ 4.44Å; L103-F114 HydrophobicContact CD1-CD1 3.88Å; L103-F114 HydrophobicContact CD1-CE1 4.11Å; L103-F114 HydrophobicContact CD1-CG 4.12Å
104F88.3Confident90.9Very high12 Ų1262.9 Ų62.95%0.05332%0.32CS..Hα-helixtrans-59.3-30.1172.4-62.4-21.8000113.1D101 L102 Q106 G108 F109 N111 F114 R115D101-F104 HydrophobicContact CB-CD2 4Å; D101-F104 HydrophobicContact CB-CE2 3.7Å; D101-F104 HydrophobicContact CB-CZ 4.12Å; D101-F104 WeakPolarHBondContact O-CB 3.11Å; D101-F104 WeakPolarHBondContact O-CD2 3.22Å; D101-F104 WeakPolarHBondContact O-CG 2.92Å; D101-F104 PolarHBondContact O-N 3.11Å; L102-F104 PolarHBondContact O-N 3.5Å; F104-Q106 PolarHBondContact O-N 3.26Å; F104-G108 CarbonylContact O-C 3.53Å; F104-G108 WeakPolarHBondContact O-CA 3.39Å; F104-G108 PolarHBondContact O-N 3.39Å; F104-F109 HydrophobicContact CB-CD1 3.85Å; F104-F109 HydrophobicContact CB-CE1 3.96Å; F104-F109 HydrophobicContact CB-CG 4.42Å; F104-F109 AromaticContact CD2-CD1 3.95Å; F104-F109 HydrophobicContact CD2-CD1 3.95Å; F104-F109 HydrophobicContact CD2-CE1 4.28Å; F104-F109 HydrophobicContact CG-CD1 4.13Å; F104-N111 VanDerWaalsContact CE1-O 3.23Å; F104-N111 WeakPolarHBondContact CE1-O 3.47Å; F104-F114 AromaticContact CD1-CD2 3.85Å; F104-F114 HydrophobicContact CD1-CD2 3.85Å; F104-F114 HydrophobicContact CE1-CB 4.04Å; F104-F114 AromaticContact CE1-CD2 3.81Å; F104-F114 HydrophobicContact CE1-CD2 3.81Å; F104-F114 HydrophobicContact CE1-CG 4.42Å; F104-R115 HydrophobicContact CE2-CG 4.37Å; F104-R115 HydrophobicContact CZ-CG 3.88Å
105L88.1Confident90.9Very high142 Ų14259.8 Ų59.874%0.74330%0.304SS*.Hα-helixtrans-67.2-28.6179-63.2175.9000112.2L102 L103L102-L105 WeakPolarHBondContact O-CB 3.23Å; L102-L105 PolarHBondContact O-N 2.95Å; L102-L105 VanDerWaalsContact O-N 3.1Å; L103-L105 PolarHBondContact O-N 3.11Å
106Q91.2Very high90.9Very high143 Ų14360.1 Ų60.167%0.66830%0.303SS*.Hα-helixtrans-97.4-40.8-178.9-175.6175.5-4.600112.4L103 F104L103-Q106 PolarHBondContact O-N 3.34Å; L103-Q106 VanDerWaalsContact O-N 3.12Å; F104-Q106 PolarHBondContact O-N 3.26Å
107Y88.7Confident91Very high135 Ų13561.2 Ų61.253%0.52931%0.309SS..Hα-helixtrans-105.2-2.9-172-64.4-79.3000113.9L103 N111 F114L103-Y107 HydrophobicContact CB-CD2 4.16Å; L103-Y107 HydrophobicContact CD2-CD2 4.45Å; L103-Y107 HydrophobicContact CD2-CE2 4.19Å; L103-Y107 WeakPolarHBondContact O-CD2 3.37Å; L103-Y107 PolarHBondContact O-N 3.11Å; Y107-N111 PolarHBondContact O-ND2 3.31Å; Y107-F114 HydrophobicContact CD2-CE2 4.41Å; Y107-F114 HydrophobicContact CD2-CZ 4.35Å; Y107-F114 HydrophobicContact CG-CE2 4.42Å; Y107-F114 HydrophobicContact CG-CZ 4.38Å
108G86.9Confident91.2Very high29 Ų2960 Ų6030%0.29930%0.303SS..  trans89.2163.6-178.500000114F104 D110 N111F104-G108 CarbonylContact O-C 3.53Å; F104-G108 WeakPolarHBondContact O-CA 3.39Å; F104-G108 PolarHBondContact O-N 3.39Å; G108-D110 VanDerWaalsContact C-N 3.28Å; G108-D110 PolarHBondContact O-N 3.44Å; G108-N111 PolarHBondContact O-ND2 3.3Å
109F87Confident91.3Very high80 Ų8057.6 Ų57.635%0.35129%0.291SS..THydrogen-bonded Turntrans-80.90.2-174.9-67.4-82.8000114.4Q37 T41 I45 F104 N111Q37-F109 WeakPolarHBondContact CG-O 3.4Å; Q37-F109 PolarHBondContact NE2-O 3.44Å; T41-F109 HydrophobicContact CG2-CB 3.84Å; T41-F109 HydrophobicContact CG2-CG 4.3Å; I45-F109 HydrophobicContact CD1-CD1 3.94Å; I45-F109 HydrophobicContact CD1-CE1 3.87Å; F104-F109 HydrophobicContact CB-CD1 3.85Å; F104-F109 HydrophobicContact CB-CE1 3.96Å; F104-F109 HydrophobicContact CB-CG 4.42Å; F104-F109 AromaticContact CD2-CD1 3.95Å; F104-F109 HydrophobicContact CD2-CD1 3.95Å; F104-F109 HydrophobicContact CD2-CE1 4.28Å; F104-F109 HydrophobicContact CG-CD1 4.13Å; F109-N111 VanDerWaalsContact C-N 3.31Å; F109-N111 PolarHBondContact O-N 3.41Å
110D86.4Confident91.4Very high82 Ų8256.4 Ų56.444%0.43928%0.284SS..THydrogen-bonded Turntrans-87.75.7-175.6-64.9-46.6000114.4N34 G108 P112N34-D110 PolarHBondContact ND2-O 2.89Å; G108-D110 VanDerWaalsContact C-N 3.28Å; G108-D110 PolarHBondContact O-N 3.44Å; D110-P112 WeakPolarHBondContact O-CD 3.49Å
111N90Very high91.5Very high44 Ų4454.6 Ų54.624%0.23527%0.273CS..  trans-114.964-175.7-53.9-74.5000113.5F104 Y107 G108 F109 E113 F114F104-N111 VanDerWaalsContact CE1-O 3.23Å; F104-N111 WeakPolarHBondContact CE1-O 3.47Å; Y107-N111 PolarHBondContact O-ND2 3.31Å; G108-N111 PolarHBondContact O-ND2 3.3Å; F109-N111 VanDerWaalsContact C-N 3.31Å; F109-N111 PolarHBondContact O-N 3.41Å; N111-E113 VanDerWaalsContact CA-OE2 3.24Å; N111-E113 WeakPolarHBondContact CA-OE2 3.29Å; N111-E113 HydrophobicContact CB-CG 4.5Å; N111-E113 PolarHBondContact O-N 2.94Å; N111-F114 HydrophobicContact CB-CD2 3.94Å; N111-F114 HydrophobicContact CB-CE2 3.64Å; N111-F114 HydrophobicContact CB-CZ 4.3Å; N111-F114 PolarHBondContact O-N 2.59Å
112P91.6Very high91.8Very high0 Ų056.9 Ų56.90%029%0.285CS..G310 helixtrans-53.7-21.7-177.8-25.634.8000115.8R30 A31 Q37 D110 F114 R115R30-P112 HydrophobicContact CB-CB 3.97Å; R30-P112 HydrophobicContact CB-CG 3.72Å; A31-P112 HydrophobicContact CB-CB 4.48Å; Q37-P112 HydrophobicContact CB-CG 4.07Å; Q37-P112 HydrophobicContact CG-CG 3.7Å; D110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-F114 PolarHBondContact O-N 2.87Å; P112-F114 VanDerWaalsContact O-N 3.16Å; P112-R115 WeakPolarHBondContact O-CB 3.31Å; P112-R115 PolarHBondContact O-N 2.93Å
113E92.8Very high92Very high70 Ų7055.8 Ų55.833%0.32728%0.277SS..G310 helixtrans-54.7-27.8179.356.3-93.3-14800113.9N111 R115 F116N111-E113 VanDerWaalsContact CA-OE2 3.24Å; N111-E113 WeakPolarHBondContact CA-OE2 3.29Å; N111-E113 HydrophobicContact CB-CG 4.5Å; N111-E113 PolarHBondContact O-N 2.94Å; E113-R115 PolarHBondContact O-N 2.82Å; E113-F116 HydrophobicContact CB-CD2 3.93Å; E113-F116 HydrophobicContact CB-CE2 3.61Å; E113-F116 HydrophobicContact CB-CZ 4.39Å; E113-F116 WeakPolarHBondContact O-CB 3.43Å; E113-F116 WeakPolarHBondContact O-CD2 3.5Å; E113-F116 WeakPolarHBondContact O-CG 2.8Å; E113-F116 PolarHBondContact O-N 2.8Å
114F93.7Very high92.1Very high57 Ų5752.6 Ų52.625%0.2526%0.26CS..G310 helixtrans-61.3-17.2175.9-63.2-41000112.8T100 L103 F104 Y107 N111 P112T100-F114 WeakPolarHBondContact CB-O 3.36Å; T100-F114 PolarHBondContact OG1-O 2.93Å; L103-F114 HydrophobicContact CB-CD2 3.78Å; L103-F114 HydrophobicContact CB-CE2 3.95Å; L103-F114 HydrophobicContact CB-CG 4.14Å; L103-F114 HydrophobicContact CB-CZ 4.44Å; L103-F114 HydrophobicContact CD1-CD1 3.88Å; L103-F114 HydrophobicContact CD1-CE1 4.11Å; L103-F114 HydrophobicContact CD1-CG 4.12Å; F104-F114 AromaticContact CD1-CD2 3.85Å; F104-F114 HydrophobicContact CD1-CD2 3.85Å; F104-F114 HydrophobicContact CE1-CB 4.04Å; F104-F114 AromaticContact CE1-CD2 3.81Å; F104-F114 HydrophobicContact CE1-CD2 3.81Å; F104-F114 HydrophobicContact CE1-CG 4.42Å; Y107-F114 HydrophobicContact CD2-CE2 4.41Å; Y107-F114 HydrophobicContact CD2-CZ 4.35Å; Y107-F114 HydrophobicContact CG-CE2 4.42Å; Y107-F114 HydrophobicContact CG-CZ 4.38Å; N111-F114 HydrophobicContact CB-CD2 3.94Å; N111-F114 HydrophobicContact CB-CE2 3.64Å; N111-F114 HydrophobicContact CB-CZ 4.3Å; N111-F114 PolarHBondContact O-N 2.59Å; P112-F114 PolarHBondContact O-N 2.87Å; P112-F114 VanDerWaalsContact O-N 3.16Å
115R95.1Very high92.3Very high1 Ų152.3 Ų52.30%0.00426%0.259CS..G310 helixtrans-90.33.6177.8-62.9-176.669.484.55.9114.3I27 D48 D52 D101 F104 P112 E113 N117 R118I27-R115 HydrophobicContact CD1-CB 4.13Å; D48-R115 PolarHBondContact O-NH2 2.85Å; D48-R115 VanDerWaalsContact OD2-CD 3.26Å; D48-R115 WeakPolarHBondContact OD2-CD 3.3Å; D48-R115 IonicContact OD2-CZ 3.4Å; D48-R115 IonicContact OD2-NE 3.4Å; D48-R115 PolarHBondContact OD2-NE 3.47Å; D48-R115 VanDerWaalsContact OD2-NE 3.16Å; D52-R115 IonicContact OD1-NH2 3.73Å; D52-R115 PolarHBondContact OD1-NH2 3.48Å; D52-R115 IonicContact OD2-CZ 2.98Å; D52-R115 IonicContact OD2-NH1 3.94Å; D52-R115 PolarHBondContact OD2-NH1 3.02Å; D52-R115 IonicContact OD2-NH2 3.23Å; D52-R115 PolarHBondContact OD2-NH2 2.89Å; D101-R115 HydrophobicContact CB-CG 3.95Å; D101-R115 IonicContact OD1-NH1 2.6Å; D101-R115 IonicContact OD2-NH1 2.84Å; D101-R115 PolarHBondContact OD2-NH1 3.13Å; F104-R115 HydrophobicContact CE2-CG 4.37Å; F104-R115 HydrophobicContact CZ-CG 3.88Å; P112-R115 WeakPolarHBondContact O-CB 3.31Å; P112-R115 PolarHBondContact O-N 2.93Å; E113-R115 PolarHBondContact O-N 2.82Å; R115-N117 PolarHBondContact O-N 2.73Å; R115-N117 PolarHBondContact O-OD1 3.46Å; R115-R118 WeakPolarHBondContact O-CB 3.05Å; R115-R118 WeakPolarHBondContact O-CD 3.4Å; R115-R118 PolarHBondContact O-N 2.86Å
116F95.4Very high92.6Very high80 Ų8049.5 Ų49.535%0.35124%0.241SC..G310 helixtrans-58.5-24-177.7-80.2-41.8000114.6I27 A31 E113 R118 L119I27-F116 HydrophobicContact CG2-CD1 3.5Å; I27-F116 HydrophobicContact CG2-CE1 3.61Å; I27-F116 HydrophobicContact CG2-CG 4.42Å; A31-F116 HydrophobicContact CB-CZ 4.17Å; E113-F116 HydrophobicContact CB-CD2 3.93Å; E113-F116 HydrophobicContact CB-CE2 3.61Å; E113-F116 HydrophobicContact CB-CZ 4.39Å; E113-F116 WeakPolarHBondContact O-CB 3.43Å; E113-F116 WeakPolarHBondContact O-CD2 3.5Å; E113-F116 WeakPolarHBondContact O-CG 2.8Å; E113-F116 PolarHBondContact O-N 2.8Å; F116-R118 PolarHBondContact O-N 3.49Å; F116-R118 VanDerWaalsContact O-N 3.14Å; F116-L119 HydrophobicContact CD1-CD1 3.73Å; F116-L119 HydrophobicContact CE1-CD1 4.45Å; F116-L119 VanDerWaalsContact O-CB 3.29Å; F116-L119 WeakPolarHBondContact O-CB 3.27Å; F116-L119 WeakPolarHBondContact O-CG 3.41Å; F116-L119 PolarHBondContact O-N 3.42Å
117N95.6Very high92.8Very high23 Ų2344.4 Ų44.412%0.12322%0.217CC..G310 helixtrans-58.6-25174.369.3-46.2000113.3I95 S96 I98 T100 R115 L119 C120I95-N117 HydrophobicContact CG2-CB 4.26Å; I95-N117 PolarHBondContact O-ND2 2.79Å; S96-N117 VanDerWaalsContact CA-O 3.3Å; S96-N117 WeakPolarHBondContact CA-O 3.4Å; I98-N117 PolarHBondContact O-ND2 3.4Å; T100-N117 PolarHBondContact OG1-OD1 3.47Å; R115-N117 PolarHBondContact O-N 2.73Å; R115-N117 PolarHBondContact O-OD1 3.46Å; N117-L119 PolarHBondContact O-N 3.34Å; N117-C120 WeakPolarHBondContact O-CB 3.27Å; N117-C120 PolarHBondContact O-N 3.29Å; N117-C120 VanDerWaalsContact O-N 3.17Å
118R95.8Very high93.1Very high1 Ų139.5 Ų39.50%0.00420%0.199CC..G310 helixtrans-64.3-19176.2-8261.4176.2-171.8-0.9113.1I27 D52 Y55 I98 T100 D101 R115 F116 C120 K121I27-R118 HydrophobicContact CD1-CB 4.12Å; D52-R118 IonicContact OD1-NE 2.78Å; D52-R118 PolarHBondContact OD1-NE 3.48Å; D52-R118 IonicContact OD1-NH2 3.83Å; D52-R118 IonicContact OD2-CZ 2.74Å; D52-R118 IonicContact OD2-NE 3.55Å; D52-R118 IonicContact OD2-NH2 3.55Å; D52-R118 PolarHBondContact OD2-NH2 3.18Å; D52-R118 VanDerWaalsContact OD2-NH2 3.08Å; Y55-R118 HydrophobicContact CD2-CG 4.48Å; Y55-R118 HydrophobicContact CE2-CB 4.07Å; Y55-R118 HydrophobicContact CE2-CG 4.15Å; Y55-R118 WeakPolarHBondContact CE2-O 3.39Å; Y55-R118 PolarHBondContact OH-O 3.32Å; I98-R118 PolarHBondContact O-NH1 2.87Å; T100-R118 PolarHBondContact OG1-NH1 2.96Å; D101-R118 IonicContact OD1-CZ 2.63Å; D101-R118 IonicContact OD1-NH1 3.88Å; D101-R118 IonicContact OD1-NH2 2.74Å; D101-R118 PolarHBondContact OD1-NH2 3.26Å; D101-R118 IonicContact OD2-NH2 3.97Å; R115-R118 WeakPolarHBondContact O-CB 3.05Å; R115-R118 WeakPolarHBondContact O-CD 3.4Å; R115-R118 PolarHBondContact O-N 2.86Å; F116-R118 PolarHBondContact O-N 3.49Å; F116-R118 VanDerWaalsContact O-N 3.14Å; R118-C120 PolarHBondContact O-N 3.04Å; R118-K121 PolarHBondContact O-N 3.27Å
119L95.7Very high93.5Very high38 Ų3838.9 Ų38.920%0.19919%0.188CC..G310 helixtrans-69.8-19.7176.7-59.8176.9000112.9L24 F116 N117 K121 I122 W157L24-L119 HydrophobicContact CD1-CD2 4.38Å; F116-L119 HydrophobicContact CD1-CD1 3.73Å; F116-L119 HydrophobicContact CE1-CD1 4.45Å; F116-L119 VanDerWaalsContact O-CB 3.29Å; F116-L119 WeakPolarHBondContact O-CB 3.27Å; F116-L119 WeakPolarHBondContact O-CG 3.41Å; F116-L119 PolarHBondContact O-N 3.42Å; N117-L119 PolarHBondContact O-N 3.34Å; L119-K121 PolarHBondContact O-N 3.37Å; L119-I122 WeakPolarHBondContact O-CB 3.46Å; L119-I122 PolarHBondContact O-N 3.32Å; L119-W157 HydrophobicContact CD1-CH2 3.43Å; L119-W157 VanDerWaalsContact CD1-CH2 3.43Å; L119-W157 HydrophobicContact CD1-CZ2 3.75Å; L119-W157 HydrophobicContact CD2-CZ2 4.38Å
120C95.3Very high93.8Very high37 Ų3741.2 Ų41.225%0.2520%0.2CC..G310 helixtrans-60.7-14.2175.3-65.10000113.3Y92 I95 N117 R118 I122Y92-C120 HydrophobicContact CD1-CB 4.45Å; I95-C120 HydrophobicContact CG2-CB 4.37Å; N117-C120 WeakPolarHBondContact O-CB 3.27Å; N117-C120 PolarHBondContact O-N 3.29Å; N117-C120 VanDerWaalsContact O-N 3.17Å; R118-C120 PolarHBondContact O-N 3.04Å; C120-I122 VanDerWaalsContact C-N 3.26Å; C120-I122 PolarHBondContact O-N 3.05Å
121K94.8Very high94.2Very high0 Ų041.1 Ų41.10%019%0.193CC..G310 helixtrans-79-0.4175.8-149.774.4173.31750114.1V20 Y55 D58 T59 D93 R118 L119 Q123 R124V20-K121 HydrophobicContact CG2-CB 4.25Å; V20-K121 HydrophobicContact CG2-CG 4.11Å; Y55-K121 HydrophobicContact CD1-CG 4.19Å; Y55-K121 HydrophobicContact CD2-CB 4.28Å; Y55-K121 HydrophobicContact CD2-CD 4.35Å; Y55-K121 HydrophobicContact CD2-CG 4.16Å; Y55-K121 HydrophobicContact CE1-CB 4.25Å; Y55-K121 HydrophobicContact CE1-CG 3.88Å; Y55-K121 HydrophobicContact CE2-CB 3.57Å; Y55-K121 HydrophobicContact CE2-CD 4.47Å; Y55-K121 HydrophobicContact CE2-CG 3.85Å; Y55-K121 HydrophobicContact CG-CD 4.48Å; Y55-K121 HydrophobicContact CG-CG 4.32Å; D58-K121 WeakPolarHBondContact OD2-CE 3.41Å; D58-K121 IonicContact OD2-NZ 3.49Å; D58-K121 PolarHBondContact OD2-NZ 3.47Å; D58-K121 VanDerWaalsContact OD2-NZ 3.14Å; T59-K121 PolarHBondContact OG1-NZ 3.19Å; D93-K121 WeakPolarHBondContact OD1-CD 3.29Å; D93-K121 WeakPolarHBondContact OD1-CE 3.23Å; D93-K121 IonicContact OD1-NZ 3.77Å; D93-K121 PolarHBondContact OD1-NZ 2.9Å; D93-K121 IonicContact OD2-NZ 2.74Å; R118-K121 PolarHBondContact O-N 3.27Å; L119-K121 PolarHBondContact O-N 3.37Å; K121-Q123 PolarHBondContact O-N 3.36Å; K121-R124 HydrophobicContact CD-CG 4.34Å; K121-R124 HydrophobicContact CG-CG 4.02Å; K121-R124 PolarHBondContact O-N 2.78Å
122I94.4Very high94.4Very high53 Ų5339.8 Ų39.827%0.27219%0.187SC..G310 helixtrans-53.6-28.6-177.4-163.5167.6000114.2L24 L119 C120 R124 L125 F126L24-I122 HydrophobicContact CD1-CD1 4.26Å; L24-I122 HydrophobicContact CD2-CD1 4.49Å; L119-I122 WeakPolarHBondContact O-CB 3.46Å; L119-I122 PolarHBondContact O-N 3.32Å; C120-I122 VanDerWaalsContact C-N 3.26Å; C120-I122 PolarHBondContact O-N 3.05Å; I122-R124 PolarHBondContact O-N 2.94Å; I122-R124 VanDerWaalsContact O-N 3.12Å; I122-L125 VanDerWaalsContact O-CB 3.31Å; I122-L125 WeakPolarHBondContact O-CB 3.33Å; I122-L125 PolarHBondContact O-N 3.17Å; I122-F126 HydrophobicContact CD1-CE2 4.43Å; I122-F126 HydrophobicContact CD1-CZ 4.17Å; I122-F126 HydrophobicContact CG1-CE2 4.09Å; I122-F126 HydrophobicContact CG1-CZ 4.14Å; I122-F126 HydrophobicContact CG2-CE2 4.29Å; I122-F126 PolarHBondContact O-N 3.29Å
123Q93.1Very high94.4Very high78 Ų7842.2 Ų42.236%0.36420%0.198SC..Hα-helixtrans-56.3-29.7176.6-63.4-61.6-27.200113.3K121 L125 F126 E127K121-Q123 PolarHBondContact O-N 3.36Å; Q123-L125 VanDerWaalsContact C-N 3.3Å; Q123-L125 PolarHBondContact O-N 2.92Å; Q123-F126 PolarHBondContact O-N 3.49Å; Q123-E127 PolarHBondContact O-N 2.94Å; Q123-E127 VanDerWaalsContact O-N 3.1Å
124R93.3Very high94.3Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-68-32.1176-61.3-63.3-81.5151.6-1.3112.6Y9 L13 I16 V20 D58 R62 K121 I122 E127 F128Y9-R124 PolarHBondContact OH-NH1 2.8Å; L13-R124 VanDerWaalsContact CD2-CZ 3.4Å; L13-R124 VanDerWaalsContact CD2-NH1 3.26Å; I16-R124 HydrophobicContact CG2-CB 3.7Å; I16-R124 HydrophobicContact CG2-CG 4.01Å; V20-R124 HydrophobicContact CG2-CB 4.41Å; D58-R124 IonicContact OD1-CZ 2.74Å; D58-R124 IonicContact OD1-NE 3.92Å; D58-R124 PolarHBondContact OD1-NE 3.3Å; D58-R124 IonicContact OD1-NH2 3.19Å; D58-R124 PolarHBondContact OD1-NH2 2.99Å; D58-R124 IonicContact OD2-CZ 2.68Å; D58-R124 IonicContact OD2-NE 3.12Å; D58-R124 PolarHBondContact OD2-NE 2.86Å; D58-R124 IonicContact OD2-NH2 2.71Å; R62-R124 VanDerWaalsContact CZ-NH1 3.31Å; R62-R124 VanDerWaalsContact NE-NE 3.19Å; K121-R124 HydrophobicContact CD-CG 4.34Å; K121-R124 HydrophobicContact CG-CG 4.02Å; K121-R124 PolarHBondContact O-N 2.78Å; I122-R124 PolarHBondContact O-N 2.94Å; I122-R124 VanDerWaalsContact O-N 3.12Å; R124-E127 IonicContact CZ-OE2 2.71Å; R124-E127 VanDerWaalsContact NH1-CD 3.33Å; R124-E127 IonicContact NH1-OE1 3.74Å; R124-E127 PolarHBondContact NH1-OE1 2.97Å; R124-E127 IonicContact NH1-OE2 3.81Å; R124-E127 PolarHBondContact NH1-OE2 3.13Å; R124-F128 WeakPolarHBondContact O-CB 3.19Å; R124-F128 PolarHBondContact O-N 3.39Å
125L94.5Very high94.2Very high6 Ų646.4 Ų46.43%0.03122%0.222CC..Hα-helixtrans-69.7-41177.1-171.865.3000110.6A17 V20 F21 L24 I122 Q123 F128 F129A17-L125 HydrophobicContact CB-CD1 3.92Å; V20-L125 HydrophobicContact CG1-CB 3.88Å; V20-L125 HydrophobicContact CG1-CD2 4.43Å; F21-L125 HydrophobicContact CD2-CD2 4.22Å; L24-L125 HydrophobicContact CD2-CD2 4.34Å; I122-L125 VanDerWaalsContact O-CB 3.31Å; I122-L125 WeakPolarHBondContact O-CB 3.33Å; I122-L125 PolarHBondContact O-N 3.17Å; Q123-L125 VanDerWaalsContact C-N 3.3Å; Q123-L125 PolarHBondContact O-N 2.92Å; L125-F128 HydrophobicContact CD1-CD1 4.45Å; L125-F128 WeakPolarHBondContact O-CB 3.31Å; L125-F128 PolarHBondContact O-N 2.97Å; L125-F129 HydrophobicContact CD1-CE1 3.99Å; L125-F129 HydrophobicContact CD1-CE2 4.12Å; L125-F129 HydrophobicContact CD1-CZ 3.66Å; L125-F129 HydrophobicContact CD2-CE2 3.98Å; L125-F129 HydrophobicContact CD2-CZ 4.08Å; L125-F129 HydrophobicContact CG-CD2 4.25Å; L125-F129 HydrophobicContact CG-CE1 4.38Å; L125-F129 HydrophobicContact CG-CE2 3.61Å; L125-F129 HydrophobicContact CG-CZ 3.69Å; L125-F129 WeakPolarHBondContact O-CD2 3.36Å; L125-F129 WeakPolarHBondContact O-CG 3.42Å; L125-F129 PolarHBondContact O-N 2.88Å
126F94.4Very high94Very high83 Ų8348.6 Ų48.636%0.36424%0.235SC..Hα-helixtrans-63.2-43.6174.5-62.2-44000112.3I122 Q123 F128 F129 E130 Y150I122-F126 HydrophobicContact CD1-CE2 4.43Å; I122-F126 HydrophobicContact CD1-CZ 4.17Å; I122-F126 HydrophobicContact CG1-CE2 4.09Å; I122-F126 HydrophobicContact CG1-CZ 4.14Å; I122-F126 HydrophobicContact CG2-CE2 4.29Å; I122-F126 PolarHBondContact O-N 3.29Å; Q123-F126 PolarHBondContact O-N 3.49Å; F126-F128 VanDerWaalsContact C-N 3.31Å; F126-F128 PolarHBondContact O-N 3.21Å; F126-F129 PolarHBondContact O-N 2.89Å; F126-E130 PolarHBondContact O-N 3.45Å; F126-Y150 HydrophobicContact CE1-CE1 4.14Å
127E94.3Very high93.7Very high35 Ų3549.3 Ų49.316%0.16425%0.25CS..Hα-helixtrans-62-39174.9-173.6-178.5171.600112Y9 L13 R62 Q123 R124 R131Y9-E127 WeakPolarHBondContact CE1-OE1 3.47Å; Y9-E127 PolarHBondContact OH-OE1 3.48Å; L13-E127 HydrophobicContact CD1-CG 4.16Å; L13-E127 HydrophobicContact CD2-CB 4.48Å; L13-E127 HydrophobicContact CD2-CG 4.22Å; R62-E127 IonicContact CZ-OE2 3.26Å; R62-E127 IonicContact NH2-OE2 3.74Å; R62-E127 PolarHBondContact NH2-OE2 3.31Å; Q123-E127 PolarHBondContact O-N 2.94Å; Q123-E127 VanDerWaalsContact O-N 3.1Å; R124-E127 IonicContact CZ-OE2 2.71Å; R124-E127 VanDerWaalsContact NH1-CD 3.33Å; R124-E127 IonicContact NH1-OE1 3.74Å; R124-E127 PolarHBondContact NH1-OE1 2.97Å; R124-E127 IonicContact NH1-OE2 3.81Å; R124-E127 PolarHBondContact NH1-OE2 3.13Å; E127-R131 WeakPolarHBondContact O-CB 3.3Å; E127-R131 VanDerWaalsContact O-CG 3.27Å; E127-R131 WeakPolarHBondContact O-CG 3.48Å; E127-R131 PolarHBondContact O-N 3.12Å; E127-R131 VanDerWaalsContact O-N 3.08Å
128F95.6Very high93.4Very high33 Ų3354.9 Ų54.915%0.14527%0.274CS..Hα-helixtrans-62.4-44.9174.3170.8-110.7000111.8Y10 L13 S14 A17 R124 L125 F126 R131 T132Y10-F128 HydrophobicContact CE2-CD2 4.14Å; Y10-F128 AromaticContact CE2-CE2 3.79Å; Y10-F128 HydrophobicContact CE2-CE2 3.79Å; L13-F128 HydrophobicContact CB-CB 4.33Å; L13-F128 HydrophobicContact CB-CD2 4.09Å; S14-F128 VanDerWaalsContact OG-CE2 3.23Å; S14-F128 WeakPolarHBondContact OG-CE2 3.32Å; A17-F128 HydrophobicContact CB-CB 4.42Å; A17-F128 HydrophobicContact CB-CD1 3.63Å; A17-F128 HydrophobicContact CB-CE1 4.02Å; A17-F128 HydrophobicContact CB-CG 3.94Å; R124-F128 WeakPolarHBondContact O-CB 3.19Å; R124-F128 PolarHBondContact O-N 3.39Å; L125-F128 HydrophobicContact CD1-CD1 4.45Å; L125-F128 WeakPolarHBondContact O-CB 3.31Å; L125-F128 PolarHBondContact O-N 2.97Å; F126-F128 VanDerWaalsContact C-N 3.31Å; F126-F128 PolarHBondContact O-N 3.21Å; F128-R131 PolarHBondContact O-N 2.91Å; F128-T132 VanDerWaalsContact CE2-OG1 3.28Å; F128-T132 WeakPolarHBondContact CE2-OG1 3.41Å; F128-T132 WeakPolarHBondContact CZ-OG1 3.28Å; F128-T132 WeakPolarHBondContact O-CB 3.42Å; F128-T132 PolarHBondContact O-N 2.72Å; F128-T132 PolarHBondContact O-OG1 2.88Å
129F95.4Very high93.1Very high16 Ų1657.2 Ų57.27%0.0729%0.289CS..Hα-helixtrans-63.6-45177.7-66.8-26.9000112.4L125 F126 R131 T132 E133 F142 L149 Y150L125-F129 HydrophobicContact CD1-CE1 3.99Å; L125-F129 HydrophobicContact CD1-CE2 4.12Å; L125-F129 HydrophobicContact CD1-CZ 3.66Å; L125-F129 HydrophobicContact CD2-CE2 3.98Å; L125-F129 HydrophobicContact CD2-CZ 4.08Å; L125-F129 HydrophobicContact CG-CD2 4.25Å; L125-F129 HydrophobicContact CG-CE1 4.38Å; L125-F129 HydrophobicContact CG-CE2 3.61Å; L125-F129 HydrophobicContact CG-CZ 3.69Å; L125-F129 WeakPolarHBondContact O-CD2 3.36Å; L125-F129 WeakPolarHBondContact O-CG 3.42Å; L125-F129 PolarHBondContact O-N 2.88Å; F126-F129 PolarHBondContact O-N 2.89Å; F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 3.45Å; F129-T132 PolarHBondContact O-N 2.7Å; F129-E133 WeakPolarHBondContact O-CB 3.46Å; F129-E133 PolarHBondContact O-N 2.79Å; F129-F142 HydrophobicContact CB-CE1 4.46Å; F129-F142 HydrophobicContact CD1-CZ 4.09Å; F129-F142 WeakPolarHBondContact O-CE1 3.33Å; F129-L149 HydrophobicContact CE1-CD2 4.44Å; F129-L149 HydrophobicContact CE2-CD2 4.38Å; F129-L149 HydrophobicContact CZ-CD2 3.69Å; F129-Y150 HydrophobicContact CD2-CE1 4.14Å; F129-Y150 VanDerWaalsContact CD2-OH 3.29Å; F129-Y150 WeakPolarHBondContact CD2-OH 3.47Å; F129-Y150 AromaticContact CE2-CE1 3.78Å; F129-Y150 HydrophobicContact CE2-CE1 3.78Å
130E93.3Very high92.6Very high129 Ų12957.5 Ų57.560%0.60329%0.291SS*.Hα-helixtrans-57.8-46.2176.1-173.7-174.7177.100111.6F126 T132 E133 T134F126-E130 PolarHBondContact O-N 3.45Å; E130-T132 PolarHBondContact O-N 2.81Å; E130-E133 PolarHBondContact O-N 3.07Å; E130-T134 PolarHBondContact O-N 2.76Å
131R93.3Very high92.2Very high79 Ų7961.9 Ų61.930%0.29831%0.309SS..Hα-helixtrans-66.2-37177.7-68.4-63.8-172.1136.38.3112.7P4 Y10 L13 E127 F128 F129 T134 R135P4-R131 PolarHBondContact O-NH1 3.42Å; P4-R131 PolarHBondContact O-NH2 3.19Å; Y10-R131 HydrophobicContact CD2-CB 3.97Å; Y10-R131 HydrophobicContact CE2-CB 4.31Å; L13-R131 HydrophobicContact CD1-CG 4.02Å; E127-R131 WeakPolarHBondContact O-CB 3.3Å; E127-R131 VanDerWaalsContact O-CG 3.27Å; E127-R131 WeakPolarHBondContact O-CG 3.48Å; E127-R131 PolarHBondContact O-N 3.12Å; E127-R131 VanDerWaalsContact O-N 3.08Å; F128-R131 PolarHBondContact O-N 2.91Å; F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 3.45Å; R131-T134 PolarHBondContact O-OG1 3.15Å; R131-R135 WeakPolarHBondContact O-CG 3.5Å; R131-R135 PolarHBondContact O-N 3.27Å
132T94.3Very high92.1Very high17 Ų1763.8 Ų63.810%0.10432%0.317CS..Hα-helixtrans-67.9-39.3177.3-53.80000111Y10 F128 F129 E130 T134 R135 T136 F142Y10-T132 WeakPolarHBondContact CE2-OG1 3.33Å; Y10-T132 PolarHBondContact OH-OG1 2.87Å; F128-T132 VanDerWaalsContact CE2-OG1 3.28Å; F128-T132 WeakPolarHBondContact CE2-OG1 3.41Å; F128-T132 WeakPolarHBondContact CZ-OG1 3.28Å; F128-T132 WeakPolarHBondContact O-CB 3.42Å; F128-T132 PolarHBondContact O-N 2.72Å; F128-T132 PolarHBondContact O-OG1 2.88Å; F129-T132 PolarHBondContact O-N 2.7Å; E130-T132 PolarHBondContact O-N 2.81Å; T132-T134 PolarHBondContact O-N 3.21Å; T132-R135 PolarHBondContact O-N 2.98Å; T132-R135 VanDerWaalsContact O-N 3.16Å; T132-T136 PolarHBondContact O-N 3.34Å; T132-F142 VanDerWaalsContact CB-CZ 3.47Å; T132-F142 HydrophobicContact CG2-CD2 4.17Å; T132-F142 HydrophobicContact CG2-CE1 3.98Å; T132-F142 HydrophobicContact CG2-CE2 3.49Å; T132-F142 VanDerWaalsContact CG2-CE2 3.49Å; T132-F142 HydrophobicContact CG2-CZ 3.39Å
133E92.6Very high91.8Very high51 Ų5166.3 Ų66.324%0.23832%0.323CS..Hα-helixtrans-61.1-42.8178.4-170.8-176.7142.500112.3F129 E130 R135 T136 P139 F142 R143F129-E133 WeakPolarHBondContact O-CB 3.46Å; F129-E133 PolarHBondContact O-N 2.79Å; E130-E133 PolarHBondContact O-N 3.07Å; E133-R135 VanDerWaalsContact C-N 3.27Å; E133-R135 PolarHBondContact O-N 3.31Å; E133-T136 VanDerWaalsContact O-CG2 3.31Å; E133-T136 WeakPolarHBondContact O-CG2 3.38Å; E133-P139 HydrophobicContact CG-CB 4.33Å; E133-F142 HydrophobicContact CB-CD1 3.84Å; E133-F142 HydrophobicContact CB-CE1 4.01Å; E133-F142 HydrophobicContact CG-CD1 4.24Å; E133-R143 HydrophobicContact CG-CG 4.35Å; E133-R143 IonicContact OE1-CZ 3.52Å; E133-R143 IonicContact OE1-NE 3.93Å; E133-R143 PolarHBondContact OE1-NE 2.99Å; E133-R143 IonicContact OE1-NH2 2.75Å; E133-R143 PolarHBondContact OE1-NH2 3.26Å; E133-R143 IonicContact OE2-NE 2.83Å
134T91Very high91.6Very high111 Ų11165.2 Ų65.268%0.68132%0.319SS*.Hα-helixtrans-71-19.7177.459.60000114.1E130 R131 T132E130-T134 PolarHBondContact O-N 2.76Å; R131-T134 PolarHBondContact O-OG1 3.15Å; T132-T134 PolarHBondContact O-N 3.21Å
135R90.7Very high91.5Very high103 Ų10368.3 Ų68.339%0.38934%0.341SS..Hα-helixtrans-98.2-22.7-176.8-74.8-179.4170.5-116.9-1.2113.8D7 R131 T132 E133D7-R135 IonicContact OD1-CZ 3.81Å; D7-R135 IonicContact OD1-NH1 3.33Å; D7-R135 PolarHBondContact OD1-NH1 3.36Å; D7-R135 IonicContact OD1-NH2 3.24Å; D7-R135 PolarHBondContact OD1-NH2 3.42Å; R131-R135 WeakPolarHBondContact O-CG 3.5Å; R131-R135 PolarHBondContact O-N 3.27Å; T132-R135 PolarHBondContact O-N 2.98Å; T132-R135 VanDerWaalsContact O-N 3.16Å; E133-R135 VanDerWaalsContact C-N 3.27Å; E133-R135 PolarHBondContact O-N 3.31Å
136T91.1Very high91.3Very high47 Ų4768.6 Ų68.629%0.28834%0.343SS..  trans-73.7143.5179.6-177.60000111T132 E133 F138 P139 F142T132-T136 PolarHBondContact O-N 3.34Å; E133-T136 VanDerWaalsContact O-CG2 3.31Å; E133-T136 WeakPolarHBondContact O-CG2 3.38Å; T136-F138 PolarHBondContact O-N 3.19Å; T136-F138 PolarHBondContact OG1-N 3.35Å; T136-F138 VanDerWaalsContact OG1-N 3.15Å; T136-P139 HydrophobicContact CG2-CB 4.35Å; T136-F142 HydrophobicContact CG2-CB 3.98Å; T136-F142 HydrophobicContact CG2-CG 4.39Å
137S90.2Very high91.1Very high95 Ų9566 Ų6666%0.66433%0.333SS*.SBendtrans-71.1-13.1169.855.10000112.8P139S137-P139 VanDerWaalsContact C-CD 3.48Å; S137-P139 WeakPolarHBondContact O-CD 3.4Å
138F87.4Confident90.9Very high141 Ų14167.9 Ų67.962%0.61835%0.346SS*.  trans-126.268.1-177.1-54.9-70.9000111.7T136 N140 M141 F142T136-F138 PolarHBondContact O-N 3.19Å; T136-F138 PolarHBondContact OG1-N 3.35Å; T136-F138 VanDerWaalsContact OG1-N 3.15Å; F138-N140 VanDerWaalsContact C-N 3.34Å; F138-N140 PolarHBondContact O-N 3.04Å; F138-M141 HydrophobicContact CB-CB 4.05Å; F138-M141 PolarHBondContact O-N 2.89Å; F138-F142 PolarHBondContact O-N 3.03Å; F138-F142 VanDerWaalsContact O-N 3.16Å
139P89.6Confident90.8Very high49 Ų4968.3 Ų68.332%0.31835%0.35SS..Hα-helixtrans-61.2-39.2-174.822.9-33.5000112.9E133 T136 S137 F142 R143E133-P139 HydrophobicContact CG-CB 4.33Å; T136-P139 HydrophobicContact CG2-CB 4.35Å; S137-P139 VanDerWaalsContact C-CD 3.48Å; S137-P139 WeakPolarHBondContact O-CD 3.4Å; P139-F142 PolarHBondContact O-N 3.44Å; P139-R143 VanDerWaalsContact O-CG 3.32Å; P139-R143 WeakPolarHBondContact O-CG 3.42Å; P139-R143 PolarHBondContact O-N 3.25Å
140N86.9Confident90.6Very high45 Ų4571.3 Ų71.324%0.24136%0.361CS..Hα-helixtrans-63.4-44.6178.5-68.4-29.6000112.2F138 F142 R143 I144 M243F138-N140 VanDerWaalsContact C-N 3.34Å; F138-N140 PolarHBondContact O-N 3.04Å; N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 PolarHBondContact O-N 3.06Å; N140-R143 PolarHBondContact O-N 2.95Å; N140-I144 WeakPolarHBondContact O-CG1 3.08Å; N140-I144 PolarHBondContact O-N 3.16Å; N140-I144 VanDerWaalsContact O-N 3.09Å; N140-M243 HydrophobicContact CB-CG 4.31Å; N140-M243 HydrophobicContact CB-SD 4.15Å
141M86.6Confident90.5Very high128 Ų12867.2 Ų67.263%0.63134%0.343SS*.Hα-helixtrans-59.8-45176.7-171.373.273.800110.9F138 R143 I144 S145F138-M141 HydrophobicContact CB-CB 4.05Å; F138-M141 PolarHBondContact O-N 2.89Å; M141-R143 PolarHBondContact O-N 3.27Å; M141-I144 PolarHBondContact O-N 3.45Å; M141-S145 PolarHBondContact O-N 2.97Å; M141-S145 PolarHBondContact O-OG 3.1Å; M141-S145 VanDerWaalsContact O-OG 3.14Å
142F91.4Very high90.6Very high40 Ų4068.4 Ų68.418%0.17536%0.355CS..Hα-helixtrans-63.3-40.8179.3-175.6-106000112.6F129 T132 E133 T136 F138 P139 N140 I144 S145 N146F129-F142 HydrophobicContact CB-CE1 4.46Å; F129-F142 HydrophobicContact CD1-CZ 4.09Å; F129-F142 WeakPolarHBondContact O-CE1 3.33Å; T132-F142 VanDerWaalsContact CB-CZ 3.47Å; T132-F142 HydrophobicContact CG2-CD2 4.17Å; T132-F142 HydrophobicContact CG2-CE1 3.98Å; T132-F142 HydrophobicContact CG2-CE2 3.49Å; T132-F142 VanDerWaalsContact CG2-CE2 3.49Å; T132-F142 HydrophobicContact CG2-CZ 3.39Å; E133-F142 HydrophobicContact CB-CD1 3.84Å; E133-F142 HydrophobicContact CB-CE1 4.01Å; E133-F142 HydrophobicContact CG-CD1 4.24Å; T136-F142 HydrophobicContact CG2-CB 3.98Å; T136-F142 HydrophobicContact CG2-CG 4.39Å; F138-F142 PolarHBondContact O-N 3.03Å; F138-F142 VanDerWaalsContact O-N 3.16Å; P139-F142 PolarHBondContact O-N 3.44Å; N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 PolarHBondContact O-N 3.06Å; F142-I144 PolarHBondContact O-N 3.17Å; F142-S145 PolarHBondContact O-N 3.15Å; F142-N146 WeakPolarHBondContact CD1-ND2 3.45Å; F142-N146 WeakPolarHBondContact CE1-ND2 3.18Å; F142-N146 VanDerWaalsContact CZ-ND2 3.34Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.46Å; F142-N146 PolarHBondContact O-N 3.35Å
143R89.6Confident90.6Very high106 Ų10668.6 Ų68.640%0.436%0.355SS..Hα-helixtrans-60.3-42.9173.9-70.3172.4178.7172.40.3112.1E133 P139 N140 M141 N146 L147 M243E133-R143 HydrophobicContact CG-CG 4.35Å; E133-R143 IonicContact OE1-CZ 3.52Å; E133-R143 IonicContact OE1-NE 3.93Å; E133-R143 PolarHBondContact OE1-NE 2.99Å; E133-R143 IonicContact OE1-NH2 2.75Å; E133-R143 PolarHBondContact OE1-NH2 3.26Å; E133-R143 IonicContact OE2-NE 2.83Å; P139-R143 VanDerWaalsContact O-CG 3.32Å; P139-R143 WeakPolarHBondContact O-CG 3.42Å; P139-R143 PolarHBondContact O-N 3.25Å; N140-R143 PolarHBondContact O-N 2.95Å; M141-R143 PolarHBondContact O-N 3.27Å; R143-N146 PolarHBondContact O-N 2.91Å; R143-L147 WeakPolarHBondContact O-CB 3.29Å; R143-L147 PolarHBondContact O-N 2.89Å; R143-M243 HydrophobicContact CB-CE 3.35Å; R143-M243 HydrophobicContact CB-SD 3.77Å; R143-M243 HydrophobicContact CG-CE 4.34Å
144I88.4Confident90.7Very high55 Ų5569.2 Ų69.228%0.28236%0.359SS..Hα-helixtrans-61.8-47.1175.1-63.7174.9000110.1N140 M141 F142 N146 L147 V148 M243N140-I144 WeakPolarHBondContact O-CG1 3.08Å; N140-I144 PolarHBondContact O-N 3.16Å; N140-I144 VanDerWaalsContact O-N 3.09Å; M141-I144 PolarHBondContact O-N 3.45Å; F142-I144 PolarHBondContact O-N 3.17Å; I144-N146 VanDerWaalsContact C-N 3.35Å; I144-N146 PolarHBondContact O-N 2.91Å; I144-L147 WeakPolarHBondContact O-CB 3.41Å; I144-L147 PolarHBondContact O-N 3.43Å; I144-V148 HydrophobicContact CG2-CG2 4.42Å; I144-V148 WeakPolarHBondContact O-CG2 3.28Å; I144-V148 PolarHBondContact O-N 3.41Å; I144-M243 HydrophobicContact CD1-SD 4.04Å; I144-M243 HydrophobicContact CG1-CE 4.14Å; I144-M243 HydrophobicContact CG1-SD 3.42Å; I144-M243 WeakPolarHBondContact CG1-SD 3.44Å
145S90.1Very high90.9Very high65 Ų6564.6 Ų64.646%0.45533%0.33SS..Hα-helixtrans-59.9-42.6178.6-58.80000112.5M141 F142 V148 L149M141-S145 PolarHBondContact O-N 2.97Å; M141-S145 PolarHBondContact O-OG 3.1Å; M141-S145 VanDerWaalsContact O-OG 3.14Å; F142-S145 PolarHBondContact O-N 3.15Å; S145-V148 PolarHBondContact O-N 3.32Å; S145-L149 WeakPolarHBondContact O-CB 3.41Å; S145-L149 PolarHBondContact O-N 2.98Å
146N91.8Very high91.3Very high13 Ų1360.2 Ų60.27%0.0731%0.314CS..Hα-helixtrans-65.2-38.8175.8-74.8-13.7000112.3F142 R143 I144 L149 Y150F142-N146 WeakPolarHBondContact CD1-ND2 3.45Å; F142-N146 WeakPolarHBondContact CE1-ND2 3.18Å; F142-N146 VanDerWaalsContact CZ-ND2 3.34Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.46Å; F142-N146 PolarHBondContact O-N 3.35Å; R143-N146 PolarHBondContact O-N 2.91Å; I144-N146 VanDerWaalsContact C-N 3.35Å; I144-N146 PolarHBondContact O-N 2.91Å; N146-L149 WeakPolarHBondContact O-CB 3.46Å; N146-L149 PolarHBondContact O-N 3.01Å; N146-Y150 HydrophobicContact CB-CE2 4.43Å; N146-Y150 VanDerWaalsContact O-CD2 3.3Å; N146-Y150 WeakPolarHBondContact O-CD2 3.4Å; N146-Y150 PolarHBondContact O-N 2.86Å
147L89.8Confident91.6Very high29 Ų2961.5 Ų61.515%0.15231%0.313CS..Hα-helixtrans-62.8-46.9176-17662.7000111.2R143 I144 L149 Y150 I151 I236 N239 V240R143-L147 WeakPolarHBondContact O-CB 3.29Å; R143-L147 PolarHBondContact O-N 2.89Å; I144-L147 WeakPolarHBondContact O-CB 3.41Å; I144-L147 PolarHBondContact O-N 3.43Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 3.46Å; L147-Y150 PolarHBondContact O-N 2.85Å; L147-I151 HydrophobicContact CG-CD1 4.42Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.79Å; L147-I151 VanDerWaalsContact O-N 3.09Å; L147-I236 HydrophobicContact CD1-CG1 4.06Å; L147-I236 HydrophobicContact CD2-CG2 4.07Å; L147-I236 HydrophobicContact CG-CG1 4.5Å; L147-I236 HydrophobicContact CG-CG2 4.41Å; L147-N239 HydrophobicContact CD2-CB 4.47Å; L147-V240 HydrophobicContact CD2-CG2 3.46Å; L147-V240 VanDerWaalsContact CD2-CG2 3.46Å
148V89.9Confident91.9Very high73 Ų7357.6 Ų57.644%0.44229%0.285SS..Hα-helixtrans-59-41.8174.2173.70000111I144 S145 I151 L152I144-V148 HydrophobicContact CG2-CG2 4.42Å; I144-V148 WeakPolarHBondContact O-CG2 3.28Å; I144-V148 PolarHBondContact O-N 3.41Å; S145-V148 PolarHBondContact O-N 3.32Å; V148-I151 WeakPolarHBondContact O-CB 3.46Å; V148-I151 PolarHBondContact O-N 2.92Å; V148-L152 HydrophobicContact CG1-CD1 4.13Å; V148-L152 HydrophobicContact CG1-CG 4.45Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.32Å
149L93.3Very high92.4Very high43 Ų4350.9 Ų50.923%0.22526%0.256CS..Hα-helixtrans-60.4-45.5176.3-177.662.4000112.4F21 F129 S145 N146 L147 I151 L152 I153F21-L149 HydrophobicContact CE2-CD1 3.75Å; F21-L149 HydrophobicContact CE2-CD2 3.94Å; F21-L149 HydrophobicContact CE2-CG 4.13Å; F21-L149 HydrophobicContact CZ-CD1 3.55Å; F21-L149 HydrophobicContact CZ-CG 4.43Å; F129-L149 HydrophobicContact CE1-CD2 4.44Å; F129-L149 HydrophobicContact CE2-CD2 4.38Å; F129-L149 HydrophobicContact CZ-CD2 3.69Å; S145-L149 WeakPolarHBondContact O-CB 3.41Å; S145-L149 PolarHBondContact O-N 2.98Å; N146-L149 WeakPolarHBondContact O-CB 3.46Å; N146-L149 PolarHBondContact O-N 3.01Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 3.46Å; L149-I151 VanDerWaalsContact C-N 3.31Å; L149-I151 PolarHBondContact O-N 3.48Å; L149-L152 PolarHBondContact O-N 2.8Å; L149-I153 HydrophobicContact CD1-CD1 4.27Å; L149-I153 HydrophobicContact CG-CD1 4.01Å; L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.39Å; L149-I153 PolarHBondContact O-N 2.86Å
150Y92.1Very high92.7Very high78 Ų7848.5 Ų48.531%0.30624%0.241SC..Hα-helixtrans-60.2-41.7176.2-61.8-31.8000111.9F126 F129 N146 L147 I153 I154F126-Y150 HydrophobicContact CE1-CE1 4.14Å; F129-Y150 HydrophobicContact CD2-CE1 4.14Å; F129-Y150 VanDerWaalsContact CD2-OH 3.29Å; F129-Y150 WeakPolarHBondContact CD2-OH 3.47Å; F129-Y150 AromaticContact CE2-CE1 3.78Å; F129-Y150 HydrophobicContact CE2-CE1 3.78Å; N146-Y150 HydrophobicContact CB-CE2 4.43Å; N146-Y150 VanDerWaalsContact O-CD2 3.3Å; N146-Y150 WeakPolarHBondContact O-CD2 3.4Å; N146-Y150 PolarHBondContact O-N 2.86Å; L147-Y150 PolarHBondContact O-N 2.85Å; Y150-I153 PolarHBondContact O-N 3.45Å; Y150-I154 VanDerWaalsContact O-CG1 3.27Å; Y150-I154 WeakPolarHBondContact O-CG1 3.37Å; Y150-I154 PolarHBondContact O-N 3.47Å
151I90.8Very high93.2Very high43 Ų4349.1 Ų49.122%0.22125%0.246CC..Hα-helixtrans-59.9-49.8176.5-65.2164.6000110.7L147 V148 L149 I153 I154 I155 I236L147-I151 HydrophobicContact CG-CD1 4.42Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.79Å; L147-I151 VanDerWaalsContact O-N 3.09Å; V148-I151 WeakPolarHBondContact O-CB 3.46Å; V148-I151 PolarHBondContact O-N 2.92Å; L149-I151 VanDerWaalsContact C-N 3.31Å; L149-I151 PolarHBondContact O-N 3.48Å; I151-I153 VanDerWaalsContact C-N 3.28Å; I151-I153 PolarHBondContact O-N 3.11Å; I151-I154 PolarHBondContact O-N 3.45Å; I151-I155 HydrophobicContact CG2-CD1 3.68Å; I151-I155 HydrophobicContact CG2-CG1 4.35Å; I151-I155 WeakPolarHBondContact O-CG1 3.4Å; I151-I155 PolarHBondContact O-N 3.09Å; I151-I236 HydrophobicContact CD1-CB 4.43Å; I151-I236 HydrophobicContact CD1-CD1 3.43Å; I151-I236 VanDerWaalsContact CD1-CD1 3.43Å; I151-I236 HydrophobicContact CD1-CG1 3.86Å; I151-I236 HydrophobicContact CD1-CG2 3.72Å; I151-I236 HydrophobicContact CG1-CD1 3.38Å; I151-I236 HydrophobicContact CG1-CG1 4.08Å
152L94Very high93.7Very high104 Ų10443 Ų4355%0.54522%0.216SC..Hα-helixtrans-60.6-38.3180-68.9173.6000111.9V148 L149 H156V148-L152 HydrophobicContact CG1-CD1 4.13Å; V148-L152 HydrophobicContact CG1-CG 4.45Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.32Å; L149-L152 PolarHBondContact O-N 2.8Å; L152-H156 WeakPolarHBondContact O-CB 3.46Å; L152-H156 PolarHBondContact O-N 2.97Å
153I95.7Very high93.9Very high21 Ų2141.4 Ų41.411%0.10821%0.209CC..Hα-helixtrans-66.5-43176.2-67.6163000111.1F21 L24 L149 Y150 I151 H156 W157F21-I153 HydrophobicContact CE2-CD1 3.92Å; F21-I153 HydrophobicContact CZ-CD1 4.49Å; L24-I153 HydrophobicContact CD1-CG2 4.44Å; L24-I153 HydrophobicContact CD2-CD1 3.87Å; L24-I153 HydrophobicContact CD2-CG2 4.07Å; L24-I153 HydrophobicContact CG-CG2 4.15Å; L149-I153 HydrophobicContact CD1-CD1 4.27Å; L149-I153 HydrophobicContact CG-CD1 4.01Å; L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.39Å; L149-I153 PolarHBondContact O-N 2.86Å; Y150-I153 PolarHBondContact O-N 3.45Å; I151-I153 VanDerWaalsContact C-N 3.28Å; I151-I153 PolarHBondContact O-N 3.11Å; I153-H156 WeakPolarHBondContact O-CB 3.4Å; I153-H156 PolarHBondContact O-N 3.18Å; I153-W157 WeakPolarHBondContact O-CB 3.41Å; I153-W157 VanDerWaalsContact O-CD1 3.24Å; I153-W157 PolarHBondContact O-N 3.14Å
154I94.8Very high94.2Very high65 Ų6539 Ų3933%0.33321%0.208SC..Hα-helixtrans-64.9-45.7179.3-67.1166000110.7Y150 I151 H156 W157 N158 L204 I232Y150-I154 VanDerWaalsContact O-CG1 3.27Å; Y150-I154 WeakPolarHBondContact O-CG1 3.37Å; Y150-I154 PolarHBondContact O-N 3.47Å; I151-I154 PolarHBondContact O-N 3.45Å; I154-H156 VanDerWaalsContact C-N 3.3Å; I154-H156 PolarHBondContact O-N 3.04Å; I154-W157 PolarHBondContact O-N 2.9Å; I154-N158 WeakPolarHBondContact O-CB 3.35Å; I154-N158 PolarHBondContact O-N 3.04Å; I154-L204 HydrophobicContact CG2-CD1 4.02Å; I154-I232 HydrophobicContact CD1-CD1 4.11Å; I154-I232 HydrophobicContact CG2-CD1 4Å
155I95.5Very high94.6Very high14 Ų1437.9 Ų37.97%0.07220%0.202CC..Hα-helixtrans-60.5-42.9175.1-66.2171.4000110.5I151 N158 A159 L197 S200 T201 L204I151-I155 HydrophobicContact CG2-CD1 3.68Å; I151-I155 HydrophobicContact CG2-CG1 4.35Å; I151-I155 WeakPolarHBondContact O-CG1 3.4Å; I151-I155 PolarHBondContact O-N 3.09Å; I155-N158 PolarHBondContact O-N 2.91Å; I155-A159 VanDerWaalsContact O-CB 3.28Å; I155-A159 WeakPolarHBondContact O-CB 3.34Å; I155-A159 PolarHBondContact O-N 3.14Å; I155-L197 HydrophobicContact CG2-CD1 3.78Å; I155-L197 HydrophobicContact CG2-CG 4.37Å; I155-S200 PolarHBondContact O-OG 3.14Å; I155-S200 VanDerWaalsContact O-OG 3.07Å; I155-T201 WeakPolarHBondContact CG2-OG1 3.31Å; I155-L204 HydrophobicContact CB-CD1 4.5Å; I155-L204 HydrophobicContact CG1-CD1 3.96Å
156H97.3Very high94.9Very high10 Ų1034.8 Ų34.85%0.04618%0.18CC..Hα-helixtrans-60-47.6176.1170.273.1000112.5I25 T29 L152 I153 I154 A159 C160 Y193I25-H156 PolarHBondContact O-NE2 2.88Å; T29-H156 PolarHBondContact OG1-CE1 2.94Å; T29-H156 PolarHBondContact OG1-NE2 3.14Å; T29-H156 VanDerWaalsContact OG1-NE2 3.12Å; L152-H156 WeakPolarHBondContact O-CB 3.46Å; L152-H156 PolarHBondContact O-N 2.97Å; I153-H156 WeakPolarHBondContact O-CB 3.4Å; I153-H156 PolarHBondContact O-N 3.18Å; I154-H156 VanDerWaalsContact C-N 3.3Å; I154-H156 PolarHBondContact O-N 3.04Å; H156-A159 WeakPolarHBondContact O-CB 3.39Å; H156-A159 PolarHBondContact O-N 3.48Å; H156-C160 PolarHBondContact O-N 2.88Å; H156-C160 PolarHBondContact O-SG 3.3Å; H156-Y193 AromaticContact CE1-CE2 3.78Å; H156-Y193 AromaticContact ND1-CE2 3.61Å; H156-Y193 AromaticContact ND1-CZ 3.69Å; H156-Y193 PolarHBondContact ND1-OH 3.11Å
157W97.6Very high95Very high74 Ų7438.7 Ų38.728%0.2820%0.197SC..Hα-helixtrans-62-46.3178-91.269.1000111.5L24 V28 L119 I153 I154 A159 C160 V161L24-W157 HydrophobicContact CD1-CZ2 4.1Å; L24-W157 PolarHBondContact O-NE1 2.91Å; V28-W157 HydrophobicContact CB-CD2 4.31Å; V28-W157 HydrophobicContact CB-CH2 4.23Å; V28-W157 HydrophobicContact CB-CZ2 4.01Å; V28-W157 HydrophobicContact CB-CZ3 4.48Å; V28-W157 HydrophobicContact CG1-CD2 4.14Å; V28-W157 HydrophobicContact CG1-CG 4.33Å; V28-W157 HydrophobicContact CG1-CZ2 4.14Å; V28-W157 HydrophobicContact CG2-CD2 4.12Å; V28-W157 HydrophobicContact CG2-CE3 4.01Å; V28-W157 HydrophobicContact CG2-CH2 4.41Å; V28-W157 HydrophobicContact CG2-CZ3 4.17Å; L119-W157 HydrophobicContact CD1-CH2 3.43Å; L119-W157 VanDerWaalsContact CD1-CH2 3.43Å; L119-W157 HydrophobicContact CD1-CZ2 3.75Å; L119-W157 HydrophobicContact CD2-CZ2 4.38Å; I153-W157 WeakPolarHBondContact O-CB 3.41Å; I153-W157 VanDerWaalsContact O-CD1 3.24Å; I153-W157 PolarHBondContact O-N 3.14Å; I154-W157 PolarHBondContact O-N 2.9Å; W157-A159 PolarHBondContact O-N 2.74Å; W157-C160 WeakPolarHBondContact O-CB 3.33Å; W157-C160 PolarHBondContact O-N 3.12Å; W157-C160 VanDerWaalsContact O-N 3.16Å; W157-V161 WeakPolarHBondContact O-CG2 3.44Å; W157-V161 PolarHBondContact O-N 3Å
158N96.8Very high95.2Very high13 Ų1342 Ų427%0.0722%0.222CC..Hα-helixtrans-65.1-39179-17637.7000112I154 I155 C160 V161 F162 S200 L204 F221 D225I154-N158 WeakPolarHBondContact O-CB 3.35Å; I154-N158 PolarHBondContact O-N 3.04Å; I155-N158 PolarHBondContact O-N 2.91Å; N158-C160 VanDerWaalsContact C-N 3.31Å; N158-C160 PolarHBondContact O-N 2.81Å; N158-V161 PolarHBondContact O-N 2.92Å; N158-F162 WeakPolarHBondContact O-CB 3.38Å; N158-F162 PolarHBondContact O-N 2.85Å; N158-S200 VanDerWaalsContact CB-OG 3.22Å; N158-S200 WeakPolarHBondContact CB-OG 3.28Å; N158-S200 PolarHBondContact ND2-OG 2.96Å; N158-L204 HydrophobicContact CB-CD1 3.79Å; N158-F221 WeakPolarHBondContact OD1-CZ 3.32Å; N158-D225 PolarHBondContact ND2-OD2 3.45Å; N158-D225 PolarHBondContact OD1-OD1 2.84Å; N158-D225 PolarHBondContact OD1-OD2 2.89Å; N158-D225 VanDerWaalsContact OD1-OD2 3.1Å
159A97.6Very high95.5Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-57.7-42.1171.300000112.8I155 H156 W157 F163 S196 L197 S200I155-A159 VanDerWaalsContact O-CB 3.28Å; I155-A159 WeakPolarHBondContact O-CB 3.34Å; I155-A159 PolarHBondContact O-N 3.14Å; H156-A159 WeakPolarHBondContact O-CB 3.39Å; H156-A159 PolarHBondContact O-N 3.48Å; W157-A159 PolarHBondContact O-N 2.74Å; A159-F163 PolarHBondContact O-N 3.15Å; A159-S196 WeakPolarHBondContact CB-O 3.42Å; A159-L197 HydrophobicContact CB-CB 4.44Å; A159-L197 HydrophobicContact CB-CD1 4.2Å; A159-S200 PolarHBondContact N-OG 2.66Å
160C97.5Very high95.6Very high0 Ų039.6 Ų39.60%021%0.213CC..Hα-helixtrans-67.1-39.1176.9-65.90000111.9V28 S32 H156 W157 N158 S164V28-C160 HydrophobicContact CG2-CB 3.7Å; S32-C160 WeakPolarHBondContact CB-O 3.48Å; S32-C160 VanDerWaalsContact OG-C 3.3Å; S32-C160 WeakPolarHBondContact OG-CB 3.37Å; S32-C160 PolarHBondContact OG-O 3.26Å; H156-C160 PolarHBondContact O-N 2.88Å; H156-C160 PolarHBondContact O-SG 3.3Å; W157-C160 WeakPolarHBondContact O-CB 3.33Å; W157-C160 PolarHBondContact O-N 3.12Å; W157-C160 VanDerWaalsContact O-N 3.16Å; N158-C160 VanDerWaalsContact C-N 3.31Å; N158-C160 PolarHBondContact O-N 2.81Å; C160-S164 WeakPolarHBondContact O-CB 3.39Å; C160-S164 PolarHBondContact O-N 2.95Å
161V96.6Very high95.7Very high57 Ų5738.2 Ų38.235%0.34521%0.208SC..Hα-helixtrans-65.8-48.1175.8172.80000110.7W157 N158 F163 S164 I165 F221W157-V161 WeakPolarHBondContact O-CG2 3.44Å; W157-V161 PolarHBondContact O-N 3Å; N158-V161 PolarHBondContact O-N 2.92Å; V161-F163 VanDerWaalsContact C-N 3.32Å; V161-F163 PolarHBondContact O-N 2.86Å; V161-S164 WeakPolarHBondContact O-CB 3.45Å; V161-S164 PolarHBondContact O-N 3.41Å; V161-S164 VanDerWaalsContact O-N 3.08Å; V161-I165 HydrophobicContact CG1-CD1 3.77Å; V161-I165 HydrophobicContact CG1-CG1 4.32Å; V161-I165 WeakPolarHBondContact O-CG1 3.32Å; V161-I165 PolarHBondContact O-N 2.76Å; V161-F221 HydrophobicContact CG1-CE2 3.65Å; V161-F221 HydrophobicContact CG1-CZ 3.97Å
162F96.8Very high95.8Very high0 Ų038 Ų380%022%0.217CC..Hα-helixtrans-53.4-47.4175.1166.4-105.8000112.2N158 S164 I165 S166 W176 Y195 W199 F221N158-F162 WeakPolarHBondContact O-CB 3.38Å; N158-F162 PolarHBondContact O-N 2.85Å; F162-S164 PolarHBondContact O-N 2.89Å; F162-I165 PolarHBondContact O-N 2.85Å; F162-S166 WeakPolarHBondContact O-CB 3.47Å; F162-S166 PolarHBondContact O-N 2.78Å; F162-S166 PolarHBondContact O-OG 2.92Å; F162-W176 AromaticContact CD2-CH2 3.67Å; F162-W176 HydrophobicContact CD2-CH2 3.67Å; F162-W176 AromaticContact CD2-CZ2 3.64Å; F162-W176 HydrophobicContact CD2-CZ2 3.64Å; F162-W176 HydrophobicContact CD2-CZ3 4.35Å; F162-W176 HydrophobicContact CE2-CD2 4.32Å; F162-W176 HydrophobicContact CE2-CE3 4.41Å; F162-W176 AromaticContact CE2-CH2 3.91Å; F162-W176 HydrophobicContact CE2-CH2 3.91Å; F162-W176 AromaticContact CE2-CZ2 3.78Å; F162-W176 HydrophobicContact CE2-CZ2 3.78Å; F162-W176 HydrophobicContact CE2-CZ3 4.23Å; F162-Y195 HydrophobicContact CE1-CD1 4.4Å; F162-Y195 HydrophobicContact CE1-CE1 4.23Å; F162-Y195 HydrophobicContact CZ-CE1 4.4Å; F162-W199 HydrophobicContact CB-CE3 3.78Å; F162-W199 HydrophobicContact CB-CZ3 3.81Å; F162-W199 HydrophobicContact CD1-CB 4.41Å; F162-W199 HydrophobicContact CD1-CD2 4.14Å; F162-W199 HydrophobicContact CD1-CE3 4Å; F162-W199 HydrophobicContact CD1-CG 4.3Å; F162-W199 AromaticContact CD2-CD2 3.68Å; F162-W199 HydrophobicContact CD2-CD2 3.68Å; F162-W199 AromaticContact CD2-CE2 3.81Å; F162-W199 AromaticContact CD2-CE3 3.61Å; F162-W199 HydrophobicContact CD2-CE3 3.61Å; F162-W199 HydrophobicContact CD2-CG 4.41Å; F162-W199 AromaticContact CD2-CH2 3.96Å; F162-W199 HydrophobicContact CD2-CH2 3.96Å; F162-W199 AromaticContact CD2-CZ2 3.98Å; F162-W199 HydrophobicContact CD2-CZ2 3.98Å; F162-W199 AromaticContact CD2-CZ3 3.76Å; F162-W199 HydrophobicContact CD2-CZ3 3.76Å; F162-W199 HydrophobicContact CE1-CB 4.16Å; F162-W199 HydrophobicContact CE1-CD2 4.23Å; F162-W199 HydrophobicContact CE1-CG 4.02Å; F162-W199 AromaticContact CE2-CD2 3.78Å; F162-W199 HydrophobicContact CE2-CD2 3.78Å; F162-W199 AromaticContact CE2-CE2 3.71Å; F162-W199 HydrophobicContact CE2-CE3 4.2Å; F162-W199 HydrophobicContact CE2-CG 4.14Å; F162-W199 HydrophobicContact CE2-CZ2 4.16Å; F162-W199 AromaticContact CE2-NE1 3.89Å; F162-W199 AromaticContact CG-CD2 3.87Å; F162-W199 HydrophobicContact CG-CD2 3.87Å; F162-W199 AromaticContact CG-CE3 3.49Å; F162-W199 HydrophobicContact CG-CE3 3.49Å; F162-W199 VanDerWaalsContact CG-CE3 3.49Å; F162-W199 HydrophobicContact CG-CG 4.5Å; F162-W199 AromaticContact CG-CZ3 3.86Å; F162-W199 HydrophobicContact CG-CZ3 3.86Å; F162-W199 HydrophobicContact CZ-CD2 4.06Å; F162-W199 AromaticContact CZ-CG 3.94Å; F162-W199 HydrophobicContact CZ-CG 3.94Å; F162-F221 HydrophobicContact CB-CE1 4.39Å
163F97Very high95.8Very high7 Ų735.9 Ų35.93%0.03121%0.211CC..Hα-helixtrans-64.8-39.4177.8-170.7-97.2000112.2S32 F33 A159 V161 S166 K167 F171 Y178 K192S32-F163 VanDerWaalsContact O-CD1 3.3Å; S32-F163 WeakPolarHBondContact O-CD1 3.48Å; S32-F163 WeakPolarHBondContact O-CE1 3.42Å; F33-F163 AromaticContact CD1-CD1 3.66Å; F33-F163 HydrophobicContact CD1-CD1 3.66Å; F33-F163 HydrophobicContact CD1-CD2 4.45Å; F33-F163 AromaticContact CD1-CE1 3.59Å; F33-F163 HydrophobicContact CD1-CE1 3.59Å; F33-F163 HydrophobicContact CD1-CE2 4.4Å; F33-F163 HydrophobicContact CD1-CG 4.11Å; F33-F163 AromaticContact CD1-CZ 3.99Å; F33-F163 HydrophobicContact CD1-CZ 3.99Å; F33-F163 HydrophobicContact CE1-CB 4.11Å; F33-F163 AromaticContact CE1-CD1 3.49Å; F33-F163 HydrophobicContact CE1-CD1 3.49Å; F33-F163 VanDerWaalsContact CE1-CD1 3.49Å; F33-F163 AromaticContact CE1-CD2 3.66Å; F33-F163 HydrophobicContact CE1-CD2 3.66Å; F33-F163 AromaticContact CE1-CE1 3.77Å; F33-F163 HydrophobicContact CE1-CE1 3.77Å; F33-F163 AromaticContact CE1-CE2 3.93Å; F33-F163 HydrophobicContact CE1-CE2 3.93Å; F33-F163 AromaticContact CE1-CG 3.44Å; F33-F163 HydrophobicContact CE1-CG 3.44Å; F33-F163 VanDerWaalsContact CE1-CG 3.44Å; F33-F163 AromaticContact CE1-CZ 3.99Å; F33-F163 HydrophobicContact CE1-CZ 3.99Å; F33-F163 HydrophobicContact CG-CD1 4.28Å; F33-F163 HydrophobicContact CG-CE1 4.37Å; F33-F163 HydrophobicContact CZ-CB 3.86Å; F33-F163 AromaticContact CZ-CD1 3.98Å; F33-F163 HydrophobicContact CZ-CD1 3.98Å; F33-F163 HydrophobicContact CZ-CD2 4.22Å; F33-F163 AromaticContact CZ-CG 3.73Å; F33-F163 HydrophobicContact CZ-CG 3.73Å; A159-F163 PolarHBondContact O-N 3.15Å; V161-F163 VanDerWaalsContact C-N 3.32Å; V161-F163 PolarHBondContact O-N 2.86Å; F163-S166 PolarHBondContact O-N 3.35Å; F163-K167 WeakPolarHBondContact O-CB 3.31Å; F163-K167 PolarHBondContact O-N 3.02Å; F163-F171 HydrophobicContact CE1-CE1 4.43Å; F163-F171 AromaticContact CE1-CZ 3.99Å; F163-F171 HydrophobicContact CE1-CZ 3.99Å; F163-F171 AromaticContact CE2-CE1 3.92Å; F163-F171 HydrophobicContact CE2-CE1 3.92Å; F163-F171 HydrophobicContact CE2-CZ 4.05Å; F163-F171 AromaticContact CZ-CE1 3.87Å; F163-F171 HydrophobicContact CZ-CE1 3.87Å; F163-F171 HydrophobicContact CZ-CE2 4.47Å; F163-F171 AromaticContact CZ-CZ 3.52Å; F163-F171 HydrophobicContact CZ-CZ 3.52Å; F163-Y178 HydrophobicContact CD2-CD2 4.15Å; F163-Y178 HydrophobicContact CD2-CG 4.17Å; F163-Y178 HydrophobicContact CE2-CD1 4.08Å; F163-Y178 HydrophobicContact CE2-CD2 4.15Å; F163-Y178 HydrophobicContact CE2-CE1 4.48Å; F163-Y178 AromaticContact CE2-CG 3.93Å; F163-Y178 HydrophobicContact CE2-CG 3.93Å; F163-K192 HydrophobicContact CD2-CB 4.42Å; F163-K192 HydrophobicContact CE2-CB 3.74Å; F163-K192 HydrophobicContact CE2-CD 4.18Å; F163-K192 HydrophobicContact CE2-CG 3.96Å; F163-K192 HydrophobicContact CZ-CB 4.12Å; F163-K192 HydrophobicContact CZ-CD 3.85Å; F163-K192 HydrophobicContact CZ-CG 4.15Å
164S95.9Very high95.7Very high54 Ų5436.3 Ų36.338%0.37821%0.213SC..Hα-helixtrans-65.6-41.5177.9-1690000112.3C160 V161 F162 K167 S168C160-S164 WeakPolarHBondContact O-CB 3.39Å; C160-S164 PolarHBondContact O-N 2.95Å; V161-S164 WeakPolarHBondContact O-CB 3.45Å; V161-S164 PolarHBondContact O-N 3.41Å; V161-S164 VanDerWaalsContact O-N 3.08Å; F162-S164 PolarHBondContact O-N 2.89Å; S164-K167 WeakPolarHBondContact O-CB 3.46Å; S164-K167 PolarHBondContact O-N 2.91Å; S164-S168 PolarHBondContact O-N 2.89Å
165I95.8Very high95.6Very high32 Ų3238 Ų3816%0.16423%0.227CC..Hα-helixtrans-65.1-44.9173.8-65.2171.5000110.3V161 F162 K167 S168 I169 W176 F221V161-I165 HydrophobicContact CG1-CD1 3.77Å; V161-I165 HydrophobicContact CG1-CG1 4.32Å; V161-I165 WeakPolarHBondContact O-CG1 3.32Å; V161-I165 PolarHBondContact O-N 2.76Å; F162-I165 PolarHBondContact O-N 2.85Å; I165-K167 PolarHBondContact O-N 3.46Å; I165-S168 PolarHBondContact O-N 2.84Å; I165-S168 VanDerWaalsContact O-N 3.12Å; I165-S168 PolarHBondContact O-OG 2.67Å; I165-I169 HydrophobicContact CG2-CD1 3.64Å; I165-I169 HydrophobicContact CG2-CG1 4.23Å; I165-I169 WeakPolarHBondContact O-CG1 3.44Å; I165-I169 PolarHBondContact O-N 3.08Å; I165-W176 HydrophobicContact CG2-CH2 4.09Å; I165-W176 HydrophobicContact CG2-CZ3 3.93Å; I165-F221 HydrophobicContact CD1-CB 4.4Å; I165-F221 HydrophobicContact CD1-CD1 3.99Å; I165-F221 HydrophobicContact CD1-CD2 3.69Å; I165-F221 HydrophobicContact CD1-CE1 4.16Å; I165-F221 HydrophobicContact CD1-CE2 3.89Å; I165-F221 HydrophobicContact CD1-CG 3.75Å; I165-F221 HydrophobicContact CD1-CZ 4.11Å
166S96.4Very high95.6Very high0 Ų037.3 Ų37.30%022%0.223CC..Hα-helixtrans-57.7-37.9175.2-65.10000112.1F162 F163 G170 Y178F162-S166 WeakPolarHBondContact O-CB 3.47Å; F162-S166 PolarHBondContact O-N 2.78Å; F162-S166 PolarHBondContact O-OG 2.92Å; F163-S166 PolarHBondContact O-N 3.35Å; S166-G170 CarbonylContact O-C 3.6Å; S166-G170 VanDerWaalsContact O-C 3.3Å; S166-G170 PolarHBondContact O-N 3.44Å; S166-Y178 PolarHBondContact OG-N 2.8Å
167K94.4Very high95.5Very high95 Ų9537 Ų3741%0.41322%0.222SC..Hα-helixtrans-67.5-40.8176.6-174.9-173.1172.6-162.60112.1N34 F163 S164 I165 F171N34-K167 VanDerWaalsContact CG-NZ 3.35Å; N34-K167 PolarHBondContact OD1-NZ 2.87Å; F163-K167 WeakPolarHBondContact O-CB 3.31Å; F163-K167 PolarHBondContact O-N 3.02Å; S164-K167 WeakPolarHBondContact O-CB 3.46Å; S164-K167 PolarHBondContact O-N 2.91Å; I165-K167 PolarHBondContact O-N 3.46Å; K167-F171 VanDerWaalsContact CA-CE1 3.46Å; K167-F171 HydrophobicContact CB-CE1 3.76Å; K167-F171 HydrophobicContact CB-CE2 4.43Å; K167-F171 HydrophobicContact CB-CZ 3.55Å; K167-F171 HydrophobicContact CG-CE1 4.42Å; K167-F171 HydrophobicContact CG-CE2 4.22Å; K167-F171 HydrophobicContact CG-CZ 3.75Å
168S94.2Very high95.4Very high98 Ų9833.5 Ų33.569%0.68521%0.209SC*.Hα-helixtrans-73.3-33.6-178.767.40000112.7S164 I165S164-S168 PolarHBondContact O-N 2.89Å; I165-S168 PolarHBondContact O-N 2.84Å; I165-S168 VanDerWaalsContact O-N 3.12Å; I165-S168 PolarHBondContact O-OG 2.67Å
169I95.3Very high95.3Very high40 Ų4034.4 Ų34.421%0.20522%0.215CC..Hα-helixtrans-75.4-38.1175.2-63178.4000111.1I165 S173 W176 V177 K215 V217 E218I165-I169 HydrophobicContact CG2-CD1 3.64Å; I165-I169 HydrophobicContact CG2-CG1 4.23Å; I165-I169 WeakPolarHBondContact O-CG1 3.44Å; I165-I169 PolarHBondContact O-N 3.08Å; I169-S173 WeakPolarHBondContact CG2-OG 3.39Å; I169-W176 HydrophobicContact CD1-CZ3 4.45Å; I169-V177 HydrophobicContact CB-CG1 4.07Å; I169-V177 HydrophobicContact CD1-CG1 4.29Å; I169-V177 HydrophobicContact CG2-CG1 3.92Å; I169-K215 HydrophobicContact CG2-CD 4.01Å; I169-V217 HydrophobicContact CD1-CG1 3.9Å; I169-E218 HydrophobicContact CD1-CG 3.73Å
170G95.1Very high95Very high26 Ų2637.4 Ų37.427%0.26823%0.232SC..  trans118.3127.7-17900000111.5S166 G172 S173S166-G170 CarbonylContact O-C 3.6Å; S166-G170 VanDerWaalsContact O-C 3.3Å; S166-G170 PolarHBondContact O-N 3.44Å; G170-G172 PolarHBondContact O-N 2.65Å; G170-S173 WeakPolarHBondContact O-CB 3.24Å; G170-S173 PolarHBondContact O-N 3.22Å; G170-S173 PolarHBondContact O-OG 3.44Å
171F95.2Very high94.7Very high49 Ų4940.6 Ų40.622%0.21525%0.248CC..THydrogen-bonded Turntrans-65.3130.1-177.7-58.7-49000112.3F163 K167 S173 Y178 I181F163-F171 HydrophobicContact CE1-CE1 4.43Å; F163-F171 AromaticContact CE1-CZ 3.99Å; F163-F171 HydrophobicContact CE1-CZ 3.99Å; F163-F171 AromaticContact CE2-CE1 3.92Å; F163-F171 HydrophobicContact CE2-CE1 3.92Å; F163-F171 HydrophobicContact CE2-CZ 4.05Å; F163-F171 AromaticContact CZ-CE1 3.87Å; F163-F171 HydrophobicContact CZ-CE1 3.87Å; F163-F171 HydrophobicContact CZ-CE2 4.47Å; F163-F171 AromaticContact CZ-CZ 3.52Å; F163-F171 HydrophobicContact CZ-CZ 3.52Å; K167-F171 VanDerWaalsContact CA-CE1 3.46Å; K167-F171 HydrophobicContact CB-CE1 3.76Å; K167-F171 HydrophobicContact CB-CE2 4.43Å; K167-F171 HydrophobicContact CB-CZ 3.55Å; K167-F171 HydrophobicContact CG-CE1 4.42Å; K167-F171 HydrophobicContact CG-CE2 4.22Å; K167-F171 HydrophobicContact CG-CZ 3.75Å; F171-S173 VanDerWaalsContact C-N 3.26Å; F171-S173 PolarHBondContact O-N 3.38Å; F171-Y178 CarbonylContact C-O 3.59Å; F171-Y178 WeakPolarHBondContact CA-O 3.21Å; F171-Y178 HydrophobicContact CD1-CD1 4.13Å; F171-Y178 HydrophobicContact CD1-CG 4.45Å; F171-Y178 HydrophobicContact CE1-CD1 4.47Å; F171-I181 HydrophobicContact CB-CG2 4.35Å; F171-I181 HydrophobicContact CD2-CB 4.41Å; F171-I181 HydrophobicContact CD2-CD1 3.72Å; F171-I181 HydrophobicContact CD2-CG1 3.87Å; F171-I181 HydrophobicContact CD2-CG2 3.68Å; F171-I181 HydrophobicContact CE2-CD1 4.06Å; F171-I181 HydrophobicContact CE2-CG2 4.09Å; F171-I181 HydrophobicContact CG-CG2 4.03Å
172G92.6Very high94.3Very high38 Ų3842.6 Ų42.639%0.39226%0.264SS..THydrogen-bonded Turntrans66.819.6-177.900000115.1G170 D174 Y178G170-G172 PolarHBondContact O-N 2.65Å; G172-D174 PolarHBondContact O-N 3.04Å; G172-Y178 PolarHBondContact N-O 3.13Å
173S93.7Very high93.8Very high60 Ų6048 Ų4842%0.4229%0.29SS..SBendtrans-65.5-27.6174.157.60000113.5I169 G170 F171I169-S173 WeakPolarHBondContact CG2-OG 3.39Å; G170-S173 WeakPolarHBondContact O-CB 3.24Å; G170-S173 PolarHBondContact O-N 3.22Å; G170-S173 PolarHBondContact O-OG 3.44Å; F171-S173 VanDerWaalsContact C-N 3.26Å; F171-S173 PolarHBondContact O-N 3.38Å
174D94.2Very high93.1Very high31 Ų3152.8 Ų52.817%0.16632%0.321CS..SBendtrans-156.1-174.8-176.352.668.3000109.7G172 W176 V177 V214 K215G172-D174 PolarHBondContact O-N 3.04Å; D174-W176 PolarHBondContact OD1-N 3.32Å; D174-V177 WeakPolarHBondContact OD1-CG1 3.44Å; D174-V177 WeakPolarHBondContact OD1-CG2 3.33Å; D174-V177 PolarHBondContact OD1-N 3.35Å; D174-V214 HydrophobicContact CB-CB 4.18Å; D174-V214 HydrophobicContact CB-CG1 4.49Å; D174-V214 HydrophobicContact CB-CG2 3.98Å; D174-K215 IonicContact OD2-NZ 3.53Å
175T92.4Very high92.7Very high99 Ų9957.1 Ų57.161%0.60734%0.335SS*.SBendtrans-77.1-18.5-175.849.10000114.2P211T175-P211 WeakPolarHBondContact O-CB 3.43Å; T175-P211 WeakPolarHBondContact O-CG 3.28Å
176W94.7Very high92.3Very high0 Ų057.2 Ų57.20%034%0.335CS..SBendtrans-92.8-42.1-173179.885000112.5F162 I165 I169 D174 W199 P213 E218 F221 V222F162-W176 AromaticContact CD2-CH2 3.67Å; F162-W176 HydrophobicContact CD2-CH2 3.67Å; F162-W176 AromaticContact CD2-CZ2 3.64Å; F162-W176 HydrophobicContact CD2-CZ2 3.64Å; F162-W176 HydrophobicContact CD2-CZ3 4.35Å; F162-W176 HydrophobicContact CE2-CD2 4.32Å; F162-W176 HydrophobicContact CE2-CE3 4.41Å; F162-W176 AromaticContact CE2-CH2 3.91Å; F162-W176 HydrophobicContact CE2-CH2 3.91Å; F162-W176 AromaticContact CE2-CZ2 3.78Å; F162-W176 HydrophobicContact CE2-CZ2 3.78Å; F162-W176 HydrophobicContact CE2-CZ3 4.23Å; I165-W176 HydrophobicContact CG2-CH2 4.09Å; I165-W176 HydrophobicContact CG2-CZ3 3.93Å; I169-W176 HydrophobicContact CD1-CZ3 4.45Å; D174-W176 PolarHBondContact OD1-N 3.32Å; W176-W199 AromaticContact CE2-CZ2 3.84Å; W176-W199 AromaticContact CZ2-CH2 3.98Å; W176-W199 HydrophobicContact CZ2-CH2 3.98Å; W176-W199 AromaticContact CZ2-CZ2 3.73Å; W176-W199 HydrophobicContact CZ2-CZ2 3.73Å; W176-W199 AromaticContact NE1-CZ2 3.48Å; W176-P213 HydrophobicContact CG-CB 4.39Å; W176-E218 HydrophobicContact CD2-CB 4.07Å; W176-E218 HydrophobicContact CD2-CG 4.1Å; W176-E218 HydrophobicContact CE3-CB 3.96Å; W176-E218 HydrophobicContact CE3-CG 3.5Å; W176-E218 HydrophobicContact CZ3-CB 4.24Å; W176-E218 HydrophobicContact CZ3-CG 3.75Å; W176-F221 AromaticContact CH2-CD1 3.61Å; W176-F221 HydrophobicContact CH2-CD1 3.61Å; W176-F221 AromaticContact CH2-CE1 3.93Å; W176-F221 HydrophobicContact CH2-CE1 3.93Å; W176-F221 AromaticContact CZ2-CD1 3.52Å; W176-F221 HydrophobicContact CZ2-CD1 3.52Å; W176-F221 AromaticContact CZ2-CE1 3.8Å; W176-F221 HydrophobicContact CZ2-CE1 3.8Å; W176-V222 HydrophobicContact CZ2-CG2 4.07Å
177V96Very high91.9Very high4 Ų458.4 Ų58.42%0.02435%0.347CS..SBendtrans-62.5161179.7-63.50000112.4I169 D174I169-V177 HydrophobicContact CB-CG1 4.07Å; I169-V177 HydrophobicContact CD1-CG1 4.29Å; I169-V177 HydrophobicContact CG2-CG1 3.92Å; D174-V177 WeakPolarHBondContact OD1-CG1 3.44Å; D174-V177 WeakPolarHBondContact OD1-CG2 3.33Å; D174-V177 PolarHBondContact OD1-N 3.35Å
178Y95.5Very high91.8Very high0 Ų062.6 Ų62.60%036%0.36CS..PPolyproline II helixtrans-51.2134.5172-173.3-92.4000111.7F163 S166 F171 G172 I181 H186 K192 Y195F163-Y178 HydrophobicContact CD2-CD2 4.15Å; F163-Y178 HydrophobicContact CD2-CG 4.17Å; F163-Y178 HydrophobicContact CE2-CD1 4.08Å; F163-Y178 HydrophobicContact CE2-CD2 4.15Å; F163-Y178 HydrophobicContact CE2-CE1 4.48Å; F163-Y178 AromaticContact CE2-CG 3.93Å; F163-Y178 HydrophobicContact CE2-CG 3.93Å; S166-Y178 PolarHBondContact OG-N 2.8Å; F171-Y178 CarbonylContact C-O 3.59Å; F171-Y178 WeakPolarHBondContact CA-O 3.21Å; F171-Y178 HydrophobicContact CD1-CD1 4.13Å; F171-Y178 HydrophobicContact CD1-CG 4.45Å; F171-Y178 HydrophobicContact CE1-CD1 4.47Å; G172-Y178 PolarHBondContact N-O 3.13Å; Y178-I181 HydrophobicContact CD1-CG2 4.03Å; Y178-I181 HydrophobicContact CE1-CG2 3.81Å; Y178-H186 HydrophobicContact CE1-CB 4.07Å; Y178-H186 PolarHBondContact OH-O 3.21Å; Y178-K192 HydrophobicContact CE1-CG 4.03Å; Y178-K192 HydrophobicContact CE2-CB 4.41Å; Y178-K192 HydrophobicContact CE2-CG 4.5Å; Y178-K192 WeakPolarHBondContact OH-CA 2.96Å; Y178-K192 PolarHBondContact OH-N 3.24Å; Y178-Y195 AromaticContact CD2-CD1 3.59Å; Y178-Y195 HydrophobicContact CD2-CD1 3.59Å; Y178-Y195 HydrophobicContact CD2-CE1 4.13Å; Y178-Y195 HydrophobicContact CD2-CG 4.35Å; Y178-Y195 AromaticContact CE2-CD1 3.68Å; Y178-Y195 HydrophobicContact CE2-CD1 3.68Å; Y178-Y195 AromaticContact CE2-CG 3.96Å; Y178-Y195 HydrophobicContact CE2-CG 3.96Å
179P93.9Very high91.7Very high32 Ų3260 Ų6021%0.20834%0.338CS..PPolyproline II helixtrans-56158.3-177.3-27.834.9000114.3I181 H186P179-I181 PolarHBondContact O-N 2.83Å; P179-H186 HydrophobicContact CB-CB 4.38Å
180N91.7Very high91.6Very high64 Ų6461 Ų6134%0.34235%0.353SS..PPolyproline II helixtrans-58.5116.9-178.2-173.3-16.9000111.7S182 H183N180-S182 PolarHBondContact O-N 2.96Å; N180-S182 VanDerWaalsContact O-N 3.16Å; N180-S182 WeakPolarHBondContact OD1-CB 3.33Å; N180-S182 PolarHBondContact OD1-N 3.12Å; N180-S182 PolarHBondContact OD1-OG 3.48Å; N180-H183 PolarHBondContact O-N 3.44Å
181I91.1Very high91.6Very high66 Ų6665 Ų6534%0.33836%0.36SS..THydrogen-bonded Turntrans-65.5-14.3-178.557.6165.3000113.9F171 Y178 P179 H183 G187F171-I181 HydrophobicContact CB-CG2 4.35Å; F171-I181 HydrophobicContact CD2-CB 4.41Å; F171-I181 HydrophobicContact CD2-CD1 3.72Å; F171-I181 HydrophobicContact CD2-CG1 3.87Å; F171-I181 HydrophobicContact CD2-CG2 3.68Å; F171-I181 HydrophobicContact CE2-CD1 4.06Å; F171-I181 HydrophobicContact CE2-CG2 4.09Å; F171-I181 HydrophobicContact CG-CG2 4.03Å; Y178-I181 HydrophobicContact CD1-CG2 4.03Å; Y178-I181 HydrophobicContact CE1-CG2 3.81Å; P179-I181 PolarHBondContact O-N 2.83Å; I181-H183 PolarHBondContact O-N 3.21Å; I181-G187 WeakPolarHBondContact O-CA 3.5Å
182S87.9Confident91.6Very high99 Ų9963.8 Ų63.869%0.69236%0.355SS*.THydrogen-bonded Turntrans-66.6-23.5176.2-50.30000111.8N180N180-S182 PolarHBondContact O-N 2.96Å; N180-S182 VanDerWaalsContact O-N 3.16Å; N180-S182 WeakPolarHBondContact OD1-CB 3.33Å; N180-S182 PolarHBondContact OD1-N 3.12Å; N180-S182 PolarHBondContact OD1-OG 3.48Å
183H86.5Confident91.8Very high115 Ų11565.4 Ų65.453%0.53235%0.35SS..SBendtrans-73.8127.4170.5-72.4-73.5000110.2N180 I181 E185 H186 G187N180-H183 PolarHBondContact O-N 3.44Å; I181-H183 PolarHBondContact O-N 3.21Å; H183-E185 PolarHBondContact O-N 3.05Å; H183-H186 PolarHBondContact O-N 3.38Å; H183-G187 PolarHBondContact O-N 2.9Å; H183-G187 VanDerWaalsContact O-N 3.12Å
184P83.7Confident91.9Very high107 Ų10767.2 Ų67.270%0.69535%0.353SS*.THydrogen-bonded Turntrans-55.3-28.6-174.6-27.333.5000114.9
185E86.9Confident91.9Very high144 Ų14467.7 Ų67.767%0.67335%0.353SS*.THydrogen-bonded Turntrans-68.4-39.6177.7-62.2-166.1162.100112.4H183 R191H183-E185 PolarHBondContact O-N 3.05Å; E185-R191 VanDerWaalsContact O-CG 3.29Å; E185-R191 WeakPolarHBondContact O-CG 3.33Å
186H87.9Confident92.1Very high35 Ų3563 Ų6316%0.16232%0.324CS..THydrogen-bonded Turntrans-92.4-10.1-175.8-61.1-72.3000113.3Y178 P179 H183Y178-H186 HydrophobicContact CE1-CB 4.07Å; Y178-H186 PolarHBondContact OH-O 3.21Å; P179-H186 HydrophobicContact CB-CB 4.38Å; H183-H186 PolarHBondContact O-N 3.38Å
187G87.5Confident92.2Very high24 Ų2465.5 Ų65.525%0.24734%0.337CS..SBendtrans-74.8-23.6179.200000115I181 H183 K192I181-G187 WeakPolarHBondContact O-CA 3.5Å; H183-G187 PolarHBondContact O-N 2.9Å; H183-G187 VanDerWaalsContact O-N 3.12Å; G187-K192 WeakPolarHBondContact O-CE 3.5Å; G187-K192 PolarHBondContact O-NZ 3.45Å
188R91.9Very high92.1Very high183 Ų18372 Ų7269%0.69136%0.362SS*.SBendtrans-71.4132.7-174.8-62.9-179.1-176.9177.91.5112A190 R191 K192R188-A190 VanDerWaalsContact C-N 3.3Å; R188-A190 PolarHBondContact O-N 2.68Å; R188-R191 HydrophobicContact CB-CB 4.21Å; R188-R191 WeakPolarHBondContact O-CA 3.42Å; R188-R191 WeakPolarHBondContact O-CB 3.49Å; R188-R191 PolarHBondContact O-N 3.29Å; R188-K192 PolarHBondContact O-N 2.96Å
189L92Very high92.1Very high43 Ų4372.1 Ų72.123%0.22536%0.363CS..Hα-helixtrans-50.8-46.4177.4-179.761.8000113.4F33 E35 L36 R191 K192 Y193F33-L189 HydrophobicContact CB-CD1 3.87Å; F33-L189 HydrophobicContact CD1-CD1 4.09Å; F33-L189 HydrophobicContact CG-CD1 4.25Å; E35-L189 HydrophobicContact CB-CD1 4.49Å; L36-L189 HydrophobicContact CB-CD2 4.14Å; L36-L189 HydrophobicContact CD1-CD2 4.02Å; L189-R191 VanDerWaalsContact C-N 3.3Å; L189-R191 PolarHBondContact O-N 2.71Å; L189-K192 WeakPolarHBondContact O-CB 3.34Å; L189-K192 PolarHBondContact O-N 2.74Å; L189-Y193 PolarHBondContact O-N 2.84Å
190A93.1Very high92.2Very high63 Ų6370.6 Ų70.652%0.52135%0.353SS..Hα-helixtrans-60.1-39.8177.600000112R188 I194R188-A190 VanDerWaalsContact C-N 3.3Å; R188-A190 PolarHBondContact O-N 2.68Å; A190-I194 VanDerWaalsContact O-CB 3.31Å; A190-I194 WeakPolarHBondContact O-CB 3.36Å; A190-I194 WeakPolarHBondContact O-CD1 3.39Å; A190-I194 WeakPolarHBondContact O-CG1 3.48Å; A190-I194 PolarHBondContact O-N 3.22Å
191R94.4Very high92.3Very high109 Ų10969.9 Ų69.941%0.41135%0.351SS..Hα-helixtrans-68-41.3177.7-17763.3167.3171.6-0.9111.5E185 R188 L189 Y195E185-R191 VanDerWaalsContact O-CG 3.29Å; E185-R191 WeakPolarHBondContact O-CG 3.33Å; R188-R191 HydrophobicContact CB-CB 4.21Å; R188-R191 WeakPolarHBondContact O-CA 3.42Å; R188-R191 WeakPolarHBondContact O-CB 3.49Å; R188-R191 PolarHBondContact O-N 3.29Å; L189-R191 VanDerWaalsContact C-N 3.3Å; L189-R191 PolarHBondContact O-N 2.71Å; R191-Y195 WeakPolarHBondContact O-CB 3.48Å; R191-Y195 PolarHBondContact O-N 3.37Å
192K95.4Very high92.3Very high24 Ų2467.9 Ų67.910%0.10434%0.341CS..Hα-helixtrans-54.9-54.2175.2-64.1170.1-174.2161.10110.3F33 E35 F163 Y178 G187 R188 L189 S196F33-K192 HydrophobicContact CD1-CB 4.1Å; F33-K192 HydrophobicContact CE1-CB 3.77Å; E35-K192 IonicContact OE2-NZ 3.75Å; E35-K192 PolarHBondContact OE2-NZ 2.89Å; F163-K192 HydrophobicContact CD2-CB 4.42Å; F163-K192 HydrophobicContact CE2-CB 3.74Å; F163-K192 HydrophobicContact CE2-CD 4.18Å; F163-K192 HydrophobicContact CE2-CG 3.96Å; F163-K192 HydrophobicContact CZ-CB 4.12Å; F163-K192 HydrophobicContact CZ-CD 3.85Å; F163-K192 HydrophobicContact CZ-CG 4.15Å; Y178-K192 HydrophobicContact CE1-CG 4.03Å; Y178-K192 HydrophobicContact CE2-CB 4.41Å; Y178-K192 HydrophobicContact CE2-CG 4.5Å; Y178-K192 WeakPolarHBondContact OH-CA 2.96Å; Y178-K192 PolarHBondContact OH-N 3.24Å; G187-K192 WeakPolarHBondContact O-CE 3.5Å; G187-K192 PolarHBondContact O-NZ 3.45Å; R188-K192 PolarHBondContact O-N 2.96Å; L189-K192 WeakPolarHBondContact O-CB 3.34Å; L189-K192 PolarHBondContact O-N 2.74Å; K192-S196 WeakPolarHBondContact O-CB 3.47Å; K192-S196 PolarHBondContact O-N 3.46Å; K192-S196 VanDerWaalsContact O-N 3.1Å; K192-S196 PolarHBondContact O-OG 2.9Å; K192-S196 VanDerWaalsContact O-OG 3.05Å
193Y96.4Very high92.6Very high72 Ų7263.2 Ų63.228%0.28231%0.308SS..Hα-helixtrans-63.4-50.2-179.8-177.6-102.2000113.3F33 H156 L189 Y195 S196 L197F33-Y193 HydrophobicContact CD2-CD2 4.44Å; F33-Y193 AromaticContact CE2-CD2 3.73Å; F33-Y193 HydrophobicContact CE2-CD2 3.73Å; F33-Y193 HydrophobicContact CE2-CE2 4.49Å; F33-Y193 AromaticContact CZ-CD2 3.94Å; F33-Y193 HydrophobicContact CZ-CD2 3.94Å; H156-Y193 AromaticContact CE1-CE2 3.78Å; H156-Y193 AromaticContact ND1-CE2 3.61Å; H156-Y193 AromaticContact ND1-CZ 3.69Å; H156-Y193 PolarHBondContact ND1-OH 3.11Å; L189-Y193 PolarHBondContact O-N 2.84Å; Y193-Y195 VanDerWaalsContact C-N 3.34Å; Y193-Y195 PolarHBondContact O-N 3.05Å; Y193-S196 PolarHBondContact O-N 3.21Å; Y193-L197 HydrophobicContact CE1-CD2 4.29Å; Y193-L197 WeakPolarHBondContact O-CB 3.34Å; Y193-L197 PolarHBondContact O-N 3.45Å
194I96.1Very high92.8Very high97 Ų9758.4 Ų58.450%0.49729%0.287SS..Hα-helixtrans-62.4-41.8-177-69.3166.3000111.3A190 L197 Y198A190-I194 VanDerWaalsContact O-CB 3.31Å; A190-I194 WeakPolarHBondContact O-CB 3.36Å; A190-I194 WeakPolarHBondContact O-CD1 3.39Å; A190-I194 WeakPolarHBondContact O-CG1 3.48Å; A190-I194 PolarHBondContact O-N 3.22Å; I194-L197 PolarHBondContact O-N 2.54Å; I194-Y198 WeakPolarHBondContact O-CB 3.36Å; I194-Y198 PolarHBondContact O-N 2.89Å
195Y95.3Very high93.1Very high41 Ų4154.5 Ų54.516%0.16126%0.261CS..Hα-helixtrans-66.8-44178.1179.5-84.9000111.6F162 Y178 R191 Y193 L197 Y198 W199F162-Y195 HydrophobicContact CE1-CD1 4.4Å; F162-Y195 HydrophobicContact CE1-CE1 4.23Å; F162-Y195 HydrophobicContact CZ-CE1 4.4Å; Y178-Y195 AromaticContact CD2-CD1 3.59Å; Y178-Y195 HydrophobicContact CD2-CD1 3.59Å; Y178-Y195 HydrophobicContact CD2-CE1 4.13Å; Y178-Y195 HydrophobicContact CD2-CG 4.35Å; Y178-Y195 AromaticContact CE2-CD1 3.68Å; Y178-Y195 HydrophobicContact CE2-CD1 3.68Å; Y178-Y195 AromaticContact CE2-CG 3.96Å; Y178-Y195 HydrophobicContact CE2-CG 3.96Å; R191-Y195 WeakPolarHBondContact O-CB 3.48Å; R191-Y195 PolarHBondContact O-N 3.37Å; Y193-Y195 VanDerWaalsContact C-N 3.34Å; Y193-Y195 PolarHBondContact O-N 3.05Å; Y195-L197 VanDerWaalsContact C-N 3.29Å; Y195-L197 PolarHBondContact O-N 3.49Å; Y195-Y198 WeakPolarHBondContact O-CB 3.35Å; Y195-Y198 PolarHBondContact O-N 3.04Å; Y195-W199 WeakPolarHBondContact O-CB 3.46Å; Y195-W199 PolarHBondContact O-N 3.05Å
196S96.4Very high93.2Very high0 Ų051 Ų510%025%0.249CC..Hα-helixtrans-62.2-38.1176.1-63.90000112.1A159 K192 Y193 S200A159-S196 WeakPolarHBondContact CB-O 3.42Å; K192-S196 WeakPolarHBondContact O-CB 3.47Å; K192-S196 PolarHBondContact O-N 3.46Å; K192-S196 VanDerWaalsContact O-N 3.1Å; K192-S196 PolarHBondContact O-OG 2.9Å; K192-S196 VanDerWaalsContact O-OG 3.05Å; Y193-S196 PolarHBondContact O-N 3.21Å; S196-S200 VanDerWaalsContact O-CB 3.31Å; S196-S200 WeakPolarHBondContact O-CB 3.48Å; S196-S200 PolarHBondContact O-N 2.51Å
197L96.5Very high93.1Very high53 Ų5355.7 Ų55.728%0.27727%0.274SS..Hα-helixtrans-66.7-41.6175.1-165.775.1000111.8I155 A159 Y193 I194 Y195 S200 T201I155-L197 HydrophobicContact CG2-CD1 3.78Å; I155-L197 HydrophobicContact CG2-CG 4.37Å; A159-L197 HydrophobicContact CB-CB 4.44Å; A159-L197 HydrophobicContact CB-CD1 4.2Å; Y193-L197 HydrophobicContact CE1-CD2 4.29Å; Y193-L197 WeakPolarHBondContact O-CB 3.34Å; Y193-L197 PolarHBondContact O-N 3.45Å; I194-L197 PolarHBondContact O-N 2.54Å; Y195-L197 VanDerWaalsContact C-N 3.29Å; Y195-L197 PolarHBondContact O-N 3.49Å; L197-S200 PolarHBondContact O-N 2.95Å; L197-T201 WeakPolarHBondContact O-CB 3.5Å; L197-T201 PolarHBondContact O-N 2.63Å; L197-T201 PolarHBondContact O-OG1 2.74Å
198Y94.8Very high92.3Very high140 Ų14055.7 Ų55.755%0.54927%0.274SS..Hα-helixtrans-59.9-50.6173.7168.9-102.4000111.5I194 Y195 S200 T201 L202I194-Y198 WeakPolarHBondContact O-CB 3.36Å; I194-Y198 PolarHBondContact O-N 2.89Å; Y195-Y198 WeakPolarHBondContact O-CB 3.35Å; Y195-Y198 PolarHBondContact O-N 3.04Å; Y198-S200 PolarHBondContact O-N 2.89Å; Y198-T201 PolarHBondContact O-N 3.27Å; Y198-L202 HydrophobicContact CD1-CD1 4.32Å; Y198-L202 HydrophobicContact CD2-CD1 4.49Å; Y198-L202 HydrophobicContact CD2-CG 4.49Å; Y198-L202 HydrophobicContact CE1-CD1 3.62Å; Y198-L202 HydrophobicContact CE2-CD1 3.84Å; Y198-L202 HydrophobicContact CE2-CD2 4.38Å; Y198-L202 HydrophobicContact CE2-CG 4.13Å; Y198-L202 WeakPolarHBondContact O-CG 3.26Å; Y198-L202 PolarHBondContact O-N 2.84Å; Y198-L202 WeakPolarHBondContact OH-CD1 3.3Å
199W95.1Very high91.6Very high3 Ų356.4 Ų56.41%0.01129%0.285CS..Hα-helixtrans-56.4-51176.9-177.194.7000111F162 W176 Y195 T201 L202 T203 T210 F221 V222F162-W199 HydrophobicContact CB-CE3 3.78Å; F162-W199 HydrophobicContact CB-CZ3 3.81Å; F162-W199 HydrophobicContact CD1-CB 4.41Å; F162-W199 HydrophobicContact CD1-CD2 4.14Å; F162-W199 HydrophobicContact CD1-CE3 4Å; F162-W199 HydrophobicContact CD1-CG 4.3Å; F162-W199 AromaticContact CD2-CD2 3.68Å; F162-W199 HydrophobicContact CD2-CD2 3.68Å; F162-W199 AromaticContact CD2-CE2 3.81Å; F162-W199 AromaticContact CD2-CE3 3.61Å; F162-W199 HydrophobicContact CD2-CE3 3.61Å; F162-W199 HydrophobicContact CD2-CG 4.41Å; F162-W199 AromaticContact CD2-CH2 3.96Å; F162-W199 HydrophobicContact CD2-CH2 3.96Å; F162-W199 AromaticContact CD2-CZ2 3.98Å; F162-W199 HydrophobicContact CD2-CZ2 3.98Å; F162-W199 AromaticContact CD2-CZ3 3.76Å; F162-W199 HydrophobicContact CD2-CZ3 3.76Å; F162-W199 HydrophobicContact CE1-CB 4.16Å; F162-W199 HydrophobicContact CE1-CD2 4.23Å; F162-W199 HydrophobicContact CE1-CG 4.02Å; F162-W199 AromaticContact CE2-CD2 3.78Å; F162-W199 HydrophobicContact CE2-CD2 3.78Å; F162-W199 AromaticContact CE2-CE2 3.71Å; F162-W199 HydrophobicContact CE2-CE3 4.2Å; F162-W199 HydrophobicContact CE2-CG 4.14Å; F162-W199 HydrophobicContact CE2-CZ2 4.16Å; F162-W199 AromaticContact CE2-NE1 3.89Å; F162-W199 AromaticContact CG-CD2 3.87Å; F162-W199 HydrophobicContact CG-CD2 3.87Å; F162-W199 AromaticContact CG-CE3 3.49Å; F162-W199 HydrophobicContact CG-CE3 3.49Å; F162-W199 VanDerWaalsContact CG-CE3 3.49Å; F162-W199 HydrophobicContact CG-CG 4.5Å; F162-W199 AromaticContact CG-CZ3 3.86Å; F162-W199 HydrophobicContact CG-CZ3 3.86Å; F162-W199 HydrophobicContact CZ-CD2 4.06Å; F162-W199 AromaticContact CZ-CG 3.94Å; F162-W199 HydrophobicContact CZ-CG 3.94Å; W176-W199 AromaticContact CE2-CZ2 3.84Å; W176-W199 AromaticContact CZ2-CH2 3.98Å; W176-W199 HydrophobicContact CZ2-CH2 3.98Å; W176-W199 AromaticContact CZ2-CZ2 3.73Å; W176-W199 HydrophobicContact CZ2-CZ2 3.73Å; W176-W199 AromaticContact NE1-CZ2 3.48Å; Y195-W199 WeakPolarHBondContact O-CB 3.46Å; Y195-W199 PolarHBondContact O-N 3.05Å; W199-T201 VanDerWaalsContact C-N 3.31Å; W199-T201 PolarHBondContact O-N 3.06Å; W199-L202 PolarHBondContact O-N 2.74Å; W199-T203 HydrophobicContact CH2-CG2 4.08Å; W199-T203 HydrophobicContact CZ3-CG2 4.46Å; W199-T203 PolarHBondContact O-N 2.72Å; W199-T203 PolarHBondContact O-OG1 2.59Å; W199-T203 VanDerWaalsContact O-OG1 3.04Å; W199-T210 HydrophobicContact CG-CG2 4.49Å; W199-F221 HydrophobicContact CH2-CD1 4.42Å; W199-F221 AromaticContact CH2-CE1 3.7Å; W199-F221 HydrophobicContact CH2-CE1 3.7Å; W199-F221 HydrophobicContact CZ3-CE1 4.01Å; W199-F221 HydrophobicContact CZ3-CZ 4.48Å; W199-V222 HydrophobicContact CZ2-CG2 4.39Å
200S95Very high91.2Very high0 Ų055.9 Ų55.90%028%0.284CS..Hα-helixtrans-62.8-37.8-179-175.30000113I155 N158 A159 S196 L197 Y198 T203 L204I155-S200 PolarHBondContact O-OG 3.14Å; I155-S200 VanDerWaalsContact O-OG 3.07Å; N158-S200 VanDerWaalsContact CB-OG 3.22Å; N158-S200 WeakPolarHBondContact CB-OG 3.28Å; N158-S200 PolarHBondContact ND2-OG 2.96Å; A159-S200 PolarHBondContact N-OG 2.66Å; S196-S200 VanDerWaalsContact O-CB 3.31Å; S196-S200 WeakPolarHBondContact O-CB 3.48Å; S196-S200 PolarHBondContact O-N 2.51Å; L197-S200 PolarHBondContact O-N 2.95Å; Y198-S200 PolarHBondContact O-N 2.89Å; S200-T203 PolarHBondContact O-N 2.82Å; S200-L204 WeakPolarHBondContact O-CB 3.37Å; S200-L204 WeakPolarHBondContact O-CG 3.44Å; S200-L204 PolarHBondContact O-N 3.33Å
201T93.4Very high91Very high49 Ų4955.2 Ų55.230%0.30127%0.274SS..Hα-helixtrans-60.7-52.2175.5-57.40000109.9I155 L197 Y198 W199 T203 L204 T205I155-T201 WeakPolarHBondContact CG2-OG1 3.31Å; L197-T201 WeakPolarHBondContact O-CB 3.5Å; L197-T201 PolarHBondContact O-N 2.63Å; L197-T201 PolarHBondContact O-OG1 2.74Å; Y198-T201 PolarHBondContact O-N 3.27Å; W199-T201 VanDerWaalsContact C-N 3.31Å; W199-T201 PolarHBondContact O-N 3.06Å; T201-T203 VanDerWaalsContact C-N 3.33Å; T201-T203 PolarHBondContact O-N 3.35Å; T201-L204 PolarHBondContact O-N 2.87Å; T201-T205 HydrophobicContact CG2-CG2 4.25Å; T201-T205 WeakPolarHBondContact O-CB 3.23Å; T201-T205 WeakPolarHBondContact O-CG2 3.45Å; T201-T205 PolarHBondContact O-N 3.06Å; T201-T205 PolarHBondContact O-OG1 3.3Å
202L93.1Very high90.8Very high25 Ų2553.2 Ų53.213%0.13128%0.281CS..Hα-helixtrans-58.7-42.8-179.4-70-174.4000112.9Y198 W199 T206 I207 T210Y198-L202 HydrophobicContact CD1-CD1 4.32Å; Y198-L202 HydrophobicContact CD2-CD1 4.49Å; Y198-L202 HydrophobicContact CD2-CG 4.49Å; Y198-L202 HydrophobicContact CE1-CD1 3.62Å; Y198-L202 HydrophobicContact CE2-CD1 3.84Å; Y198-L202 HydrophobicContact CE2-CD2 4.38Å; Y198-L202 HydrophobicContact CE2-CG 4.13Å; Y198-L202 WeakPolarHBondContact O-CG 3.26Å; Y198-L202 PolarHBondContact O-N 2.84Å; Y198-L202 WeakPolarHBondContact OH-CD1 3.3Å; W199-L202 PolarHBondContact O-N 2.74Å; L202-T206 PolarHBondContact O-N 2.6Å; L202-T206 VanDerWaalsContact O-N 3.16Å; L202-I207 PolarHBondContact O-N 3.38Å; L202-T210 HydrophobicContact CB-CG2 4.15Å
203T92.4Very high90.7Very high1 Ų153 Ų531%0.00628%0.282CS..Hα-helixtrans-65.7-51.6179.2-53.60000111.5W199 S200 T201 T206 D225 F226W199-T203 HydrophobicContact CH2-CG2 4.08Å; W199-T203 HydrophobicContact CZ3-CG2 4.46Å; W199-T203 PolarHBondContact O-N 2.72Å; W199-T203 PolarHBondContact O-OG1 2.59Å; W199-T203 VanDerWaalsContact O-OG1 3.04Å; S200-T203 PolarHBondContact O-N 2.82Å; T201-T203 VanDerWaalsContact C-N 3.33Å; T201-T203 PolarHBondContact O-N 3.35Å; T203-T206 PolarHBondContact O-N 2.72Å; T203-D225 HydrophobicContact CG2-CB 3.82Å; T203-F226 HydrophobicContact CG2-CD1 4.15Å; T203-F226 HydrophobicContact CG2-CE1 3.97Å
204L91.9Very high90.6Very high14 Ų1453.5 Ų53.57%0.07329%0.292CS..Hα-helixtrans-75.2-27.2-174.8-70.4176.8000113.6I154 I155 N158 S200 T201 T206 G229I154-L204 HydrophobicContact CG2-CD1 4.02Å; I155-L204 HydrophobicContact CB-CD1 4.5Å; I155-L204 HydrophobicContact CG1-CD1 3.96Å; N158-L204 HydrophobicContact CB-CD1 3.79Å; S200-L204 WeakPolarHBondContact O-CB 3.37Å; S200-L204 WeakPolarHBondContact O-CG 3.44Å; S200-L204 PolarHBondContact O-N 3.33Å; T201-L204 PolarHBondContact O-N 2.87Å; L204-T206 VanDerWaalsContact C-N 3.32Å; L204-G229 WeakPolarHBondContact O-CA 3.3Å
205T90.1Very high90.6Very high25 Ų2552.8 Ų52.815%0.15329%0.286CS..THydrogen-bonded Turntrans-87-3.717364.90000112.7T201 I207T201-T205 HydrophobicContact CG2-CG2 4.25Å; T201-T205 WeakPolarHBondContact O-CB 3.23Å; T201-T205 WeakPolarHBondContact O-CG2 3.45Å; T201-T205 PolarHBondContact O-N 3.06Å; T201-T205 PolarHBondContact O-OG1 3.3Å; T205-I207 PolarHBondContact O-N 3.13Å; T205-I207 VanDerWaalsContact O-N 3.15Å; T205-I207 VanDerWaalsContact OG1-CD1 3.29Å; T205-I207 WeakPolarHBondContact OG1-CD1 3.39Å; T205-I207 WeakPolarHBondContact OG1-CG1 3.48Å
206T88Confident90.6Very high70 Ų7057.1 Ų57.143%0.42931%0.312SS..THydrogen-bonded Turntrans56.226.7-178.665.70000114.1L202 T203 L204 V230L202-T206 PolarHBondContact O-N 2.6Å; L202-T206 VanDerWaalsContact O-N 3.16Å; T203-T206 PolarHBondContact O-N 2.72Å; L204-T206 VanDerWaalsContact C-N 3.32Å; T206-V230 HydrophobicContact CG2-CG2 3.81Å
207I85.8Confident90.5Very high134 Ų13461 Ų6169%0.68734%0.335SS*.  trans-90.5-41.8-176.7-65.4172.6000111.3L202 T205L202-I207 PolarHBondContact O-N 3.38Å; T205-I207 PolarHBondContact O-N 3.13Å; T205-I207 VanDerWaalsContact O-N 3.15Å; T205-I207 VanDerWaalsContact OG1-CD1 3.29Å; T205-I207 WeakPolarHBondContact OG1-CD1 3.39Å; T205-I207 WeakPolarHBondContact OG1-CG1 3.48Å
208G70.4Confident90.4Very high24 Ų2458.4 Ų58.425%0.24732%0.322CS..SBendtrans-105.3150-15800000115.4T210G208-T210 PolarHBondContact O-N 3.44Å
209E77.4Confident90.4Very high197 Ų19756.3 Ų56.392%0.92132%0.316SS*.  trans-73.9100.4165-63.4178.8174.700108.9
210T85.1Confident90.5Very high32 Ų3262.3 Ų62.320%0.19635%0.347CS..PPolyproline II helixtrans-90.1151167.856.60000110W199 L202 G208 A212W199-T210 HydrophobicContact CG-CG2 4.49Å; L202-T210 HydrophobicContact CB-CG2 4.15Å; G208-T210 PolarHBondContact O-N 3.44Å; T210-A212 PolarHBondContact O-N 3.34Å
211P88.4Confident90.5Very high49 Ų4964 Ų6432%0.31835%0.354SS..PPolyproline II helixtrans-52.3143.4172.7-23.633000111.4T175T175-P211 WeakPolarHBondContact O-CB 3.43Å; T175-P211 WeakPolarHBondContact O-CG 3.28Å
212A89.4Confident90.5Very high67 Ų6762 Ų6255%0.55434%0.342SS*.PPolyproline II helixtrans-68.6138.4-179.900000110.6T210T210-A212 PolarHBondContact O-N 3.34Å
213P93.9Very high90.5Very high20 Ų2065.2 Ų65.213%0.1336%0.359CS..PPolyproline II helixtrans-61.7150.2170.427.6-33.8000110.5W176 E218 F219 V222W176-P213 HydrophobicContact CG-CB 4.39Å; P213-E218 HydrophobicContact CB-CB 3.56Å; P213-F219 HydrophobicContact CB-CD1 4.37Å; P213-F219 HydrophobicContact CB-CD2 4.14Å; P213-F219 HydrophobicContact CB-CE2 4.29Å; P213-F219 HydrophobicContact CB-CG 4.17Å; P213-F219 HydrophobicContact CB-CZ 4.48Å; P213-F219 HydrophobicContact CG-CD1 3.6Å; P213-F219 HydrophobicContact CG-CD2 4.21Å; P213-F219 HydrophobicContact CG-CE1 3.64Å; P213-F219 HydrophobicContact CG-CE2 4.22Å; P213-F219 HydrophobicContact CG-CG 3.89Å; P213-F219 HydrophobicContact CG-CZ 3.94Å; P213-F219 WeakPolarHBondContact O-CE2 3.47Å; P213-F219 VanDerWaalsContact O-CZ 3.29Å; P213-F219 WeakPolarHBondContact O-CZ 3.48Å; P213-V222 HydrophobicContact CB-CG2 4.38Å; P213-V222 HydrophobicContact CG-CB 4.5Å; P213-V222 HydrophobicContact CG-CG2 4.34Å
214V94.9Very high90.6Very high82 Ų8266.7 Ų66.750%0.49737%0.374SS..  trans-114.8-37.5-176.9-176.90000111.1D174 E218D174-V214 HydrophobicContact CB-CB 4.18Å; D174-V214 HydrophobicContact CB-CG1 4.49Å; D174-V214 HydrophobicContact CB-CG2 3.98Å; V214-E218 WeakPolarHBondContact CA-OE2 3.41Å; V214-E218 PolarHBondContact N-OE2 3.38Å
215K94.5Very high90.6Very high82 Ų8266.8 Ų66.836%0.35738%0.375SS..SBendtrans-102.5152.1-178-57.1178.6-171.8172.30112.2I169 D174 V217 E218 F219I169-K215 HydrophobicContact CG2-CD 4.01Å; D174-K215 IonicContact OD2-NZ 3.53Å; K215-V217 HydrophobicContact CB-CG1 4.24Å; K215-V217 PolarHBondContact O-N 3.49Å; K215-V217 VanDerWaalsContact O-N 3.15Å; K215-E218 HydrophobicContact CB-CG 4.07Å; K215-E218 WeakPolarHBondContact CD-OE1 3.37Å; K215-E218 WeakPolarHBondContact CG-OE1 3.49Å; K215-E218 PolarHBondContact N-OE2 3.5Å; K215-E218 WeakPolarHBondContact O-CA 3.46Å; K215-E218 VanDerWaalsContact O-CB 3.31Å; K215-E218 WeakPolarHBondContact O-CB 3.44Å; K215-E218 PolarHBondContact O-N 3.35Å; K215-F219 WeakPolarHBondContact O-CD2 3.5Å; K215-F219 PolarHBondContact O-N 2.85Å
216D95.8Very high90.7Very high132 Ų13269.5 Ų69.571%0.70638%0.384SS*.Hα-helixtrans-53.9-38.7-179.7-64.2-17.7000113.2E218 F219 L220D216-E218 VanDerWaalsContact C-N 3.3Å; D216-E218 PolarHBondContact O-N 3.46Å; D216-F219 PolarHBondContact O-N 2.98Å; D216-L220 WeakPolarHBondContact O-CG 3.3Å; D216-L220 PolarHBondContact O-N 3.23Å
217V94.4Very high91Very high81 Ų8171.5 Ų71.549%0.49139%0.392SS..Hα-helixtrans-64.4-35177.167.10000112.4I169 K215 F221I169-V217 HydrophobicContact CD1-CG1 3.9Å; K215-V217 HydrophobicContact CB-CG1 4.24Å; K215-V217 PolarHBondContact O-N 3.49Å; K215-V217 VanDerWaalsContact O-N 3.15Å; V217-F221 WeakPolarHBondContact O-CB 3.47Å; V217-F221 PolarHBondContact O-N 3.01Å; V217-F221 VanDerWaalsContact O-N 3.07Å
218E95.2Very high91.2Very high0 Ų068.3 Ų68.30%038%0.379CS..Hα-helixtrans-73.1-41.7177.8-55.6162.7-167.900109.8I169 W176 P213 V214 K215 D216 F221 V222I169-E218 HydrophobicContact CD1-CG 3.73Å; W176-E218 HydrophobicContact CD2-CB 4.07Å; W176-E218 HydrophobicContact CD2-CG 4.1Å; W176-E218 HydrophobicContact CE3-CB 3.96Å; W176-E218 HydrophobicContact CE3-CG 3.5Å; W176-E218 HydrophobicContact CZ3-CB 4.24Å; W176-E218 HydrophobicContact CZ3-CG 3.75Å; P213-E218 HydrophobicContact CB-CB 3.56Å; V214-E218 WeakPolarHBondContact CA-OE2 3.41Å; V214-E218 PolarHBondContact N-OE2 3.38Å; K215-E218 HydrophobicContact CB-CG 4.07Å; K215-E218 WeakPolarHBondContact CD-OE1 3.37Å; K215-E218 WeakPolarHBondContact CG-OE1 3.49Å; K215-E218 PolarHBondContact N-OE2 3.5Å; K215-E218 WeakPolarHBondContact O-CA 3.46Å; K215-E218 VanDerWaalsContact O-CB 3.31Å; K215-E218 WeakPolarHBondContact O-CB 3.44Å; K215-E218 PolarHBondContact O-N 3.35Å; D216-E218 VanDerWaalsContact C-N 3.3Å; D216-E218 PolarHBondContact O-N 3.46Å; E218-F221 PolarHBondContact O-N 2.96Å; E218-V222 WeakPolarHBondContact O-CB 3.49Å; E218-V222 VanDerWaalsContact O-CG2 3.28Å; E218-V222 WeakPolarHBondContact O-CG2 3.45Å; E218-V222 PolarHBondContact O-N 2.95Å
219F94.9Very high92.2Very high96 Ų9667.2 Ų67.242%0.42137%0.367SS..Hα-helixtrans-58-49.1172.4-83.5-79.8000111.7P213 K215 D216 F221 V222 I223P213-F219 HydrophobicContact CB-CD1 4.37Å; P213-F219 HydrophobicContact CB-CD2 4.14Å; P213-F219 HydrophobicContact CB-CE2 4.29Å; P213-F219 HydrophobicContact CB-CG 4.17Å; P213-F219 HydrophobicContact CB-CZ 4.48Å; P213-F219 HydrophobicContact CG-CD1 3.6Å; P213-F219 HydrophobicContact CG-CD2 4.21Å; P213-F219 HydrophobicContact CG-CE1 3.64Å; P213-F219 HydrophobicContact CG-CE2 4.22Å; P213-F219 HydrophobicContact CG-CG 3.89Å; P213-F219 HydrophobicContact CG-CZ 3.94Å; P213-F219 WeakPolarHBondContact O-CE2 3.47Å; P213-F219 VanDerWaalsContact O-CZ 3.29Å; P213-F219 WeakPolarHBondContact O-CZ 3.48Å; K215-F219 WeakPolarHBondContact O-CD2 3.5Å; K215-F219 PolarHBondContact O-N 2.85Å; D216-F219 PolarHBondContact O-N 2.98Å; F219-F221 VanDerWaalsContact C-N 3.32Å; F219-F221 PolarHBondContact O-N 3.35Å; F219-V222 PolarHBondContact O-N 3.33Å; F219-I223 WeakPolarHBondContact O-CB 3.43Å; F219-I223 WeakPolarHBondContact O-CD1 3.38Å; F219-I223 WeakPolarHBondContact O-CG1 3.5Å; F219-I223 PolarHBondContact O-N 3.04Å
220L95.6Very high92.9Very high129 Ų12961.7 Ų61.768%0.67535%0.347SS*.Hα-helixtrans-60.9-41.6178.8-72.1176.1000112D216 G224D216-L220 WeakPolarHBondContact O-CG 3.3Å; D216-L220 PolarHBondContact O-N 3.23Å; L220-G224 PolarHBondContact O-N 3.34Å
221F94.9Very high93.2Very high34 Ų3465.8 Ų65.815%0.14937%0.367CS..Hα-helixtrans-64.9-50.2177175.8-114000111.8N158 V161 F162 I165 W176 W199 V217 E218 F219 I223 G224 D225N158-F221 WeakPolarHBondContact OD1-CZ 3.32Å; V161-F221 HydrophobicContact CG1-CE2 3.65Å; V161-F221 HydrophobicContact CG1-CZ 3.97Å; F162-F221 HydrophobicContact CB-CE1 4.39Å; I165-F221 HydrophobicContact CD1-CB 4.4Å; I165-F221 HydrophobicContact CD1-CD1 3.99Å; I165-F221 HydrophobicContact CD1-CD2 3.69Å; I165-F221 HydrophobicContact CD1-CE1 4.16Å; I165-F221 HydrophobicContact CD1-CE2 3.89Å; I165-F221 HydrophobicContact CD1-CG 3.75Å; I165-F221 HydrophobicContact CD1-CZ 4.11Å; W176-F221 AromaticContact CH2-CD1 3.61Å; W176-F221 HydrophobicContact CH2-CD1 3.61Å; W176-F221 AromaticContact CH2-CE1 3.93Å; W176-F221 HydrophobicContact CH2-CE1 3.93Å; W176-F221 AromaticContact CZ2-CD1 3.52Å; W176-F221 HydrophobicContact CZ2-CD1 3.52Å; W176-F221 AromaticContact CZ2-CE1 3.8Å; W176-F221 HydrophobicContact CZ2-CE1 3.8Å; W199-F221 HydrophobicContact CH2-CD1 4.42Å; W199-F221 AromaticContact CH2-CE1 3.7Å; W199-F221 HydrophobicContact CH2-CE1 3.7Å; W199-F221 HydrophobicContact CZ3-CE1 4.01Å; W199-F221 HydrophobicContact CZ3-CZ 4.48Å; V217-F221 WeakPolarHBondContact O-CB 3.47Å; V217-F221 PolarHBondContact O-N 3.01Å; V217-F221 VanDerWaalsContact O-N 3.07Å; E218-F221 PolarHBondContact O-N 2.96Å; F219-F221 VanDerWaalsContact C-N 3.32Å; F219-F221 PolarHBondContact O-N 3.35Å; F221-I223 VanDerWaalsContact C-N 3.34Å; F221-I223 PolarHBondContact O-N 3.3Å; F221-G224 PolarHBondContact O-N 3.48Å; F221-G224 VanDerWaalsContact O-N 3.15Å; F221-D225 WeakPolarHBondContact O-CB 3.27Å; F221-D225 PolarHBondContact O-N 3.4Å
222V93.9Very high93.2Very high8 Ų865.9 Ų65.95%0.04836%0.364CS..Hα-helixtrans-61.8-39.2178.9171.40000111.9W176 W199 P213 E218 F219 D225 F226W176-V222 HydrophobicContact CZ2-CG2 4.07Å; W199-V222 HydrophobicContact CZ2-CG2 4.39Å; P213-V222 HydrophobicContact CB-CG2 4.38Å; P213-V222 HydrophobicContact CG-CB 4.5Å; P213-V222 HydrophobicContact CG-CG2 4.34Å; E218-V222 WeakPolarHBondContact O-CB 3.49Å; E218-V222 VanDerWaalsContact O-CG2 3.28Å; E218-V222 WeakPolarHBondContact O-CG2 3.45Å; E218-V222 PolarHBondContact O-N 2.95Å; F219-V222 PolarHBondContact O-N 3.33Å; V222-D225 PolarHBondContact O-N 3.06Å; V222-F226 HydrophobicContact CG1-CD2 3.61Å; V222-F226 HydrophobicContact CG1-CE2 3.34Å; V222-F226 HydrophobicContact CG1-CZ 4.11Å; V222-F226 WeakPolarHBondContact O-CD2 3.5Å; V222-F226 PolarHBondContact O-N 2.67Å
223I93.6Very high93Very high93 Ų9367.1 Ų67.148%0.47736%0.357SS..Hα-helixtrans-61.5-46.9174.2-71.2165.2000110.6F219 F221 D225 F226 L227F219-I223 WeakPolarHBondContact O-CB 3.43Å; F219-I223 WeakPolarHBondContact O-CD1 3.38Å; F219-I223 WeakPolarHBondContact O-CG1 3.5Å; F219-I223 PolarHBondContact O-N 3.04Å; F221-I223 VanDerWaalsContact C-N 3.34Å; F221-I223 PolarHBondContact O-N 3.3Å; I223-D225 VanDerWaalsContact C-N 3.31Å; I223-D225 PolarHBondContact O-N 3.27Å; I223-F226 PolarHBondContact O-N 3.4Å; I223-L227 HydrophobicContact CG2-CD1 4.12Å; I223-L227 WeakPolarHBondContact O-CG 3.08Å; I223-L227 PolarHBondContact O-N 3.39Å
224G93.8Very high92.8Very high32 Ų3269 Ų6933%0.3338%0.375SS..Hα-helixtrans-60.4-41.9176.400000112.5L220 F221 T228L220-G224 PolarHBondContact O-N 3.34Å; F221-G224 PolarHBondContact O-N 3.48Å; F221-G224 VanDerWaalsContact O-N 3.15Å; G224-T228 VanDerWaalsContact O-CB 3.28Å; G224-T228 WeakPolarHBondContact O-CB 3.47Å; G224-T228 PolarHBondContact O-N 3.12Å; G224-T228 PolarHBondContact O-OG1 3.01Å
225D93.6Very high92.5Very high15 Ų1568.4 Ų68.48%0.0837%0.374CS..Hα-helixtrans-65.2-44.4178-106.916000112.3N158 T203 F221 V222 I223 T228 G229N158-D225 PolarHBondContact ND2-OD2 3.45Å; N158-D225 PolarHBondContact OD1-OD1 2.84Å; N158-D225 PolarHBondContact OD1-OD2 2.89Å; N158-D225 VanDerWaalsContact OD1-OD2 3.1Å; T203-D225 HydrophobicContact CG2-CB 3.82Å; F221-D225 WeakPolarHBondContact O-CB 3.27Å; F221-D225 PolarHBondContact O-N 3.4Å; V222-D225 PolarHBondContact O-N 3.06Å; I223-D225 VanDerWaalsContact C-N 3.31Å; I223-D225 PolarHBondContact O-N 3.27Å; D225-T228 PolarHBondContact O-N 2.88Å; D225-G229 WeakPolarHBondContact O-CA 3.34Å; D225-G229 PolarHBondContact O-N 2.97Å
226F92.3Very high92.1Very high82 Ų8265.7 Ų65.736%0.3636%0.363SS..Hα-helixtrans-66.1-43177.2-78-40.5000112.4T203 V222 I223 T228 G229 V230T203-F226 HydrophobicContact CG2-CD1 4.15Å; T203-F226 HydrophobicContact CG2-CE1 3.97Å; V222-F226 HydrophobicContact CG1-CD2 3.61Å; V222-F226 HydrophobicContact CG1-CE2 3.34Å; V222-F226 HydrophobicContact CG1-CZ 4.11Å; V222-F226 WeakPolarHBondContact O-CD2 3.5Å; V222-F226 PolarHBondContact O-N 2.67Å; I223-F226 PolarHBondContact O-N 3.4Å; F226-T228 VanDerWaalsContact C-N 3.32Å; F226-T228 PolarHBondContact O-N 2.9Å; F226-G229 PolarHBondContact O-N 3.15Å; F226-V230 WeakPolarHBondContact O-CB 3.49Å; F226-V230 VanDerWaalsContact O-CG2 3.3Å; F226-V230 WeakPolarHBondContact O-CG2 3.4Å; F226-V230 PolarHBondContact O-N 2.98Å
227L92.6Very high91.7Very high113 Ų11363.2 Ų63.259%0.59235%0.353SS*.Hα-helixtrans-60.6-44.6175.8-72.5173.8000111.2I223 L231I223-L227 HydrophobicContact CG2-CD1 4.12Å; I223-L227 WeakPolarHBondContact O-CG 3.08Å; I223-L227 PolarHBondContact O-N 3.39Å; L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 3.24Å
228T91.2Very high91.5Very high67 Ų6761.4 Ų61.441%0.41135%0.351SS..Hα-helixtrans-66.7-45178.6-57.70000111.3G224 D225 F226 L231 I232G224-T228 VanDerWaalsContact O-CB 3.28Å; G224-T228 WeakPolarHBondContact O-CB 3.47Å; G224-T228 PolarHBondContact O-N 3.12Å; G224-T228 PolarHBondContact O-OG1 3.01Å; D225-T228 PolarHBondContact O-N 2.88Å; F226-T228 VanDerWaalsContact C-N 3.32Å; F226-T228 PolarHBondContact O-N 2.9Å; T228-L231 PolarHBondContact O-N 3.05Å; T228-I232 HydrophobicContact CG2-CD1 3.51Å; T228-I232 HydrophobicContact CG2-CG1 4.28Å; T228-I232 WeakPolarHBondContact O-CB 3.48Å; T228-I232 VanDerWaalsContact O-CG1 3.23Å; T228-I232 WeakPolarHBondContact O-CG1 3.49Å; T228-I232 PolarHBondContact O-N 3.33Å
229G91.3Very high91Very high0 Ų066 Ų660%038%0.375CS..Hα-helixtrans-59.9-49.417900000112.7L204 D225 F226 L231 I232 F233L204-G229 WeakPolarHBondContact O-CA 3.3Å; D225-G229 WeakPolarHBondContact O-CA 3.34Å; D225-G229 PolarHBondContact O-N 2.97Å; F226-G229 PolarHBondContact O-N 3.15Å; G229-L231 PolarHBondContact O-N 3.21Å; G229-I232 PolarHBondContact O-N 2.78Å; G229-F233 VanDerWaalsContact O-CB 3.25Å; G229-F233 WeakPolarHBondContact O-CB 3.34Å; G229-F233 PolarHBondContact O-N 3.01Å
230V91.7Very high90.6Very high81 Ų8163.4 Ų63.449%0.49137%0.367SS..Hα-helixtrans-59.8-45.1177.81720000111.4T206 F226 A234T206-V230 HydrophobicContact CG2-CG2 3.81Å; F226-V230 WeakPolarHBondContact O-CB 3.49Å; F226-V230 VanDerWaalsContact O-CG2 3.3Å; F226-V230 WeakPolarHBondContact O-CG2 3.4Å; F226-V230 PolarHBondContact O-N 2.98Å; V230-A234 WeakPolarHBondContact O-CB 3.43Å; V230-A234 PolarHBondContact O-N 2.91Å
231L91.4Very high90.3Very high119 Ų11959 Ų5962%0.62335%0.353SS*.Hα-helixtrans-65.2-44.2179.3-71.3174.4000112.3L227 T228 G229 S235L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 3.24Å; T228-L231 PolarHBondContact O-N 3.05Å; G229-L231 PolarHBondContact O-N 3.21Å; L231-S235 WeakPolarHBondContact O-CB 3.38Å; L231-S235 PolarHBondContact O-N 2.74Å; L231-S235 PolarHBondContact O-OG 3.42Å
232I88.1Confident89.9Confident50 Ų5059.8 Ų59.826%0.25637%0.366SS..Hα-helixtrans-63.7-51.4178.3-73173.5000109.8I154 T228 G229 A234 S235 I236I154-I232 HydrophobicContact CD1-CD1 4.11Å; I154-I232 HydrophobicContact CG2-CD1 4Å; T228-I232 HydrophobicContact CG2-CD1 3.51Å; T228-I232 HydrophobicContact CG2-CG1 4.28Å; T228-I232 WeakPolarHBondContact O-CB 3.48Å; T228-I232 VanDerWaalsContact O-CG1 3.23Å; T228-I232 WeakPolarHBondContact O-CG1 3.49Å; T228-I232 PolarHBondContact O-N 3.33Å; G229-I232 PolarHBondContact O-N 2.78Å; I232-A234 PolarHBondContact O-N 3.14Å; I232-S235 PolarHBondContact O-N 2.99Å; I232-I236 HydrophobicContact CG2-CD1 3.38Å; I232-I236 HydrophobicContact CG2-CG1 4.36Å; I232-I236 VanDerWaalsContact O-CD1 3.24Å; I232-I236 WeakPolarHBondContact O-CD1 3.5Å; I232-I236 WeakPolarHBondContact O-CG1 3.28Å; I232-I236 PolarHBondContact O-N 3.08Å
233F85.6Confident89.5Confident93 Ų9360.6 Ų60.641%0.40837%0.369SS..Hα-helixtrans-61.7-45.1-178.1-171.8-102.4000112G229 S235 I236 V237G229-F233 VanDerWaalsContact O-CB 3.25Å; G229-F233 WeakPolarHBondContact O-CB 3.34Å; G229-F233 PolarHBondContact O-N 3.01Å; F233-S235 VanDerWaalsContact C-N 3.34Å; F233-S235 PolarHBondContact O-N 3.27Å; F233-I236 PolarHBondContact O-N 2.91Å; F233-V237 HydrophobicContact CD1-CG2 4.22Å; F233-V237 HydrophobicContact CE1-CG2 3.83Å; F233-V237 HydrophobicContact CE2-CG2 4.22Å; F233-V237 HydrophobicContact CZ-CG2 3.84Å; F233-V237 WeakPolarHBondContact O-CG2 3.35Å; F233-V237 PolarHBondContact O-N 2.71Å
234A90.3Very high89.2Confident61 Ų6160 Ų6050%0.50437%0.366SS..Hα-helixtrans-59.8-43.7175.300000112.2V230 I232 I236 G238V230-A234 WeakPolarHBondContact O-CB 3.43Å; V230-A234 PolarHBondContact O-N 2.91Å; I232-A234 PolarHBondContact O-N 3.14Å; A234-I236 PolarHBondContact O-N 3.46Å; A234-G238 PolarHBondContact O-N 2.63Å
235S88.4Confident88.9Confident68 Ų6862.2 Ų62.248%0.47638%0.377SS..Hα-helixtrans-64.7-39.7178.1-59.20000112.2L231 I232 F233 N239L231-S235 WeakPolarHBondContact O-CB 3.38Å; L231-S235 PolarHBondContact O-N 2.74Å; L231-S235 PolarHBondContact O-OG 3.42Å; I232-S235 PolarHBondContact O-N 2.99Å; F233-S235 VanDerWaalsContact C-N 3.34Å; F233-S235 PolarHBondContact O-N 3.27Å; S235-N239 WeakPolarHBondContact O-CB 3.45Å; S235-N239 VanDerWaalsContact O-CG 3.24Å; S235-N239 PolarHBondContact O-N 3.16Å; S235-N239 PolarHBondContact O-ND2 3.38Å
236I86.3Confident88.5Confident25 Ų2566.8 Ų66.813%0.12840%0.401CS..Hα-helixtrans-64.7-53.7177.6-69.9154.2000110.5L147 I151 I232 F233 A234 G238 N239 V240L147-I236 HydrophobicContact CD1-CG1 4.06Å; L147-I236 HydrophobicContact CD2-CG2 4.07Å; L147-I236 HydrophobicContact CG-CG1 4.5Å; L147-I236 HydrophobicContact CG-CG2 4.41Å; I151-I236 HydrophobicContact CD1-CB 4.43Å; I151-I236 HydrophobicContact CD1-CD1 3.43Å; I151-I236 VanDerWaalsContact CD1-CD1 3.43Å; I151-I236 HydrophobicContact CD1-CG1 3.86Å; I151-I236 HydrophobicContact CD1-CG2 3.72Å; I151-I236 HydrophobicContact CG1-CD1 3.38Å; I151-I236 HydrophobicContact CG1-CG1 4.08Å; I232-I236 HydrophobicContact CG2-CD1 3.38Å; I232-I236 HydrophobicContact CG2-CG1 4.36Å; I232-I236 VanDerWaalsContact O-CD1 3.24Å; I232-I236 WeakPolarHBondContact O-CD1 3.5Å; I232-I236 WeakPolarHBondContact O-CG1 3.28Å; I232-I236 PolarHBondContact O-N 3.08Å; F233-I236 PolarHBondContact O-N 2.91Å; A234-I236 PolarHBondContact O-N 3.46Å; I236-G238 PolarHBondContact O-N 3.18Å; I236-N239 PolarHBondContact O-N 3.41Å; I236-N239 VanDerWaalsContact O-N 3.16Å; I236-V240 HydrophobicContact CG2-CG2 4.2Å; I236-V240 WeakPolarHBondContact O-CB 3.43Å; I236-V240 WeakPolarHBondContact O-CG2 3.33Å; I236-V240 PolarHBondContact O-N 3.39Å
237V86.3Confident88Confident80 Ų8068.1 Ų68.149%0.48541%0.41SS..Hα-helixtrans-59.2-40.4-178.9173.50000110.2F233 G241F233-V237 HydrophobicContact CD1-CG2 4.22Å; F233-V237 HydrophobicContact CE1-CG2 3.83Å; F233-V237 HydrophobicContact CE2-CG2 4.22Å; F233-V237 HydrophobicContact CZ-CG2 3.84Å; F233-V237 WeakPolarHBondContact O-CG2 3.35Å; F233-V237 PolarHBondContact O-N 2.71Å; V237-G241 PolarHBondContact O-N 3.22Å
238G89.8Confident87.7Confident44 Ų4466.2 Ų66.245%0.45440%0.401SS..Hα-helixtrans-60.7-49.4173.700000113.3A234 I236 G241 A242A234-G238 PolarHBondContact O-N 2.63Å; I236-G238 PolarHBondContact O-N 3.18Å; G238-G241 PolarHBondContact O-N 3.34Å; G238-A242 WeakPolarHBondContact O-CB 3.49Å; G238-A242 PolarHBondContact O-N 2.87Å
239N86Confident87.5Confident96 Ų9665.3 Ų65.351%0.51340%0.4SS..Hα-helixtrans-67.4-41-179.2-75.4-27.8000112.9L147 S235 I236 A242 M243L147-N239 HydrophobicContact CD2-CB 4.47Å; S235-N239 WeakPolarHBondContact O-CB 3.45Å; S235-N239 VanDerWaalsContact O-CG 3.24Å; S235-N239 PolarHBondContact O-N 3.16Å; S235-N239 PolarHBondContact O-ND2 3.38Å; I236-N239 PolarHBondContact O-N 3.41Å; I236-N239 VanDerWaalsContact O-N 3.16Å; N239-A242 PolarHBondContact O-N 3.39Å; N239-M243 WeakPolarHBondContact O-CB 3.31Å; N239-M243 PolarHBondContact O-N 2.99Å
240V86.9Confident87.1Confident42 Ų4268.8 Ų68.826%0.25542%0.424SS..Hα-helixtrans-63.7-45.7174.5173.80000110.1L147 I236 A242 M243 I244L147-V240 HydrophobicContact CD2-CG2 3.46Å; L147-V240 VanDerWaalsContact CD2-CG2 3.46Å; I236-V240 HydrophobicContact CG2-CG2 4.2Å; I236-V240 WeakPolarHBondContact O-CB 3.43Å; I236-V240 WeakPolarHBondContact O-CG2 3.33Å; I236-V240 PolarHBondContact O-N 3.39Å; V240-A242 PolarHBondContact O-N 3.45Å; V240-M243 PolarHBondContact O-N 3.36Å; V240-I244 HydrophobicContact CG1-CD1 3.79Å; V240-I244 HydrophobicContact CG1-CG1 4.39Å; V240-I244 WeakPolarHBondContact O-CG1 3.33Å; V240-I244 PolarHBondContact O-N 3.3Å
241G88Confident86.8Confident37 Ų3772.4 Ų72.438%0.38143%0.429SS..Hα-helixtrans-58.8-47.2176.500000112.6V237 G238 M243 I244 S245V237-G241 PolarHBondContact O-N 3.22Å; G238-G241 PolarHBondContact O-N 3.34Å; G241-M243 VanDerWaalsContact C-N 3.31Å; G241-M243 PolarHBondContact O-N 3.2Å; G241-I244 PolarHBondContact O-N 2.91Å; G241-S245 WeakPolarHBondContact O-CB 3.41Å; G241-S245 PolarHBondContact O-N 2.88Å
242A87.8Confident86.6Confident50 Ų5069.6 Ų69.641%0.41342%0.423SS..Hα-helixtrans-60.3-40.217600000112.1G238 N239 V240 S245 N246G238-A242 WeakPolarHBondContact O-CB 3.49Å; G238-A242 PolarHBondContact O-N 2.87Å; N239-A242 PolarHBondContact O-N 3.39Å; V240-A242 PolarHBondContact O-N 3.45Å; A242-S245 WeakPolarHBondContact O-CB 3.49Å; A242-S245 PolarHBondContact O-N 3.46Å; A242-N246 WeakPolarHBondContact O-CB 3.33Å; A242-N246 PolarHBondContact O-N 3.04Å; A242-N246 PolarHBondContact O-ND2 3.1Å
243M85.4Confident86.6Confident24 Ų2472.4 Ų72.412%0.11844%0.435CS..Hα-helixtrans-69.7-40.4179.2-163.4-177.7-48.300112.9N140 R143 I144 N239 V240 G241 S245 N246 M247N140-M243 HydrophobicContact CB-CG 4.31Å; N140-M243 HydrophobicContact CB-SD 4.15Å; R143-M243 HydrophobicContact CB-CE 3.35Å; R143-M243 HydrophobicContact CB-SD 3.77Å; R143-M243 HydrophobicContact CG-CE 4.34Å; I144-M243 HydrophobicContact CD1-SD 4.04Å; I144-M243 HydrophobicContact CG1-CE 4.14Å; I144-M243 HydrophobicContact CG1-SD 3.42Å; I144-M243 WeakPolarHBondContact CG1-SD 3.44Å; N239-M243 WeakPolarHBondContact O-CB 3.31Å; N239-M243 PolarHBondContact O-N 2.99Å; V240-M243 PolarHBondContact O-N 3.36Å; G241-M243 VanDerWaalsContact C-N 3.31Å; G241-M243 PolarHBondContact O-N 3.2Å; M243-S245 VanDerWaalsContact C-N 3.31Å; M243-S245 PolarHBondContact O-N 3.19Å; M243-N246 PolarHBondContact O-N 3.05Å; M243-M247 WeakPolarHBondContact O-CB 3.49Å; M243-M247 PolarHBondContact O-N 2.95Å
244I86.8Confident86.7Confident80 Ų8069 Ų6941%0.4142%0.42SS..Hα-helixtrans-61.6-42.4173.8-69.3169.1000110.3V240 G241 M247 N248V240-I244 HydrophobicContact CG1-CD1 3.79Å; V240-I244 HydrophobicContact CG1-CG1 4.39Å; V240-I244 WeakPolarHBondContact O-CG1 3.33Å; V240-I244 PolarHBondContact O-N 3.3Å; G241-I244 PolarHBondContact O-N 2.91Å; I244-M247 PolarHBondContact O-N 2.68Å; I244-N248 PolarHBondContact O-N 3.47Å; I244-N248 VanDerWaalsContact O-N 3.11Å; I244-N248 PolarHBondContact O-ND2 3.36Å
245S87.6Confident86.6Confident80 Ų8069.8 Ų69.856%0.55941%0.413SS*.Hα-helixtrans-59.7-49.5175.2-173.30000111.4G241 A242 M243 M247 N248 A249G241-S245 WeakPolarHBondContact O-CB 3.41Å; G241-S245 PolarHBondContact O-N 2.88Å; A242-S245 WeakPolarHBondContact O-CB 3.49Å; A242-S245 PolarHBondContact O-N 3.46Å; M243-S245 VanDerWaalsContact C-N 3.31Å; M243-S245 PolarHBondContact O-N 3.19Å; S245-M247 VanDerWaalsContact C-N 3.35Å; S245-M247 PolarHBondContact O-N 2.71Å; S245-N248 CarbonylContact O-C 3.3Å; S245-N248 PolarHBondContact O-N 3.34Å; S245-A249 PolarHBondContact O-N 3.31Å
246N84.6Confident86.8Confident110 Ų11069 Ų6959%0.58841%0.411SS*.Hα-helixtrans-62-39.2177.9-74.7-26000112.9A242 M243 N248 A249A242-N246 WeakPolarHBondContact O-CB 3.33Å; A242-N246 PolarHBondContact O-N 3.04Å; A242-N246 PolarHBondContact O-ND2 3.1Å; M243-N246 PolarHBondContact O-N 3.05Å; N246-N248 VanDerWaalsContact C-N 3.28Å; N246-N248 PolarHBondContact O-N 3.28Å; N246-A249 VanDerWaalsContact O-CB 3.28Å; N246-A249 WeakPolarHBondContact O-CB 3.37Å; N246-A249 PolarHBondContact O-N 3.41Å
247M82.2Confident87Confident110 Ų11073.1 Ų73.154%0.54243%0.428SS..Hα-helixtrans-64.2-35.2177.3-174.8177.469.100112.1M243 I244 S245M243-M247 WeakPolarHBondContact O-CB 3.49Å; M243-M247 PolarHBondContact O-N 2.95Å; I244-M247 PolarHBondContact O-N 2.68Å; S245-M247 VanDerWaalsContact C-N 3.35Å; S245-M247 PolarHBondContact O-N 2.71Å
248N85.5Confident87.2Confident74 Ų7469.6 Ų69.640%0.39641%0.406SS..THydrogen-bonded Turntrans-92.94.6178.9-70.7-36.3000113.5I244 S245 N246 S250 R251 A252I244-N248 PolarHBondContact O-N 3.47Å; I244-N248 VanDerWaalsContact O-N 3.11Å; I244-N248 PolarHBondContact O-ND2 3.36Å; S245-N248 CarbonylContact O-C 3.3Å; S245-N248 PolarHBondContact O-N 3.34Å; N246-N248 VanDerWaalsContact C-N 3.28Å; N246-N248 PolarHBondContact O-N 3.28Å; N248-S250 PolarHBondContact O-N 2.97Å; N248-R251 PolarHBondContact O-N 3.23Å; N248-R251 VanDerWaalsContact O-N 3.14Å; N248-A252 WeakPolarHBondContact O-CB 3.49Å; N248-A252 PolarHBondContact O-N 3.06Å
249A87.3Confident87.3Confident48 Ų4870.6 Ų70.640%0.39740%0.401SS..Hα-helixtrans-58.4-46.6-171.800000113S245 N246 R251 A252 E253S245-A249 PolarHBondContact O-N 3.31Å; N246-A249 VanDerWaalsContact O-CB 3.28Å; N246-A249 WeakPolarHBondContact O-CB 3.37Å; N246-A249 PolarHBondContact O-N 3.41Å; A249-R251 VanDerWaalsContact C-N 3.32Å; A249-R251 PolarHBondContact O-N 3.45Å; A249-A252 PolarHBondContact O-N 3Å; A249-E253 WeakPolarHBondContact O-CB 3.43Å; A249-E253 PolarHBondContact O-N 3.25Å
250S83.6Confident87.7Confident72 Ų7269.5 Ų69.550%0.50340%0.401SS..Hα-helixtrans-61.9-39.4178.41730000112.3N248 E253 F254N248-S250 PolarHBondContact O-N 2.97Å; S250-E253 PolarHBondContact O-N 3.36Å; S250-F254 WeakPolarHBondContact O-CB 3.37Å; S250-F254 PolarHBondContact O-N 3.3Å
251R84.3Confident88Confident158 Ų15870.2 Ų70.260%0.59640%0.403SS*.Hα-helixtrans-68.3-41.6176.1-173.6175.1-178.5-1750.2111.6N248 A249 F254 Q255 W286N248-R251 PolarHBondContact O-N 3.23Å; N248-R251 VanDerWaalsContact O-N 3.14Å; A249-R251 VanDerWaalsContact C-N 3.32Å; A249-R251 PolarHBondContact O-N 3.45Å; R251-F254 PolarHBondContact O-N 3.13Å; R251-Q255 WeakPolarHBondContact O-CB 3.48Å; R251-Q255 PolarHBondContact O-N 3Å; R251-W286 HydrophobicContact CB-CH2 3.56Å; R251-W286 HydrophobicContact CB-CZ2 3.79Å; R251-W286 HydrophobicContact CG-CH2 3.82Å; R251-W286 HydrophobicContact CG-CZ2 3.62Å
252A88.5Confident88.2Confident60 Ų6071.4 Ų71.450%0.49640%0.398SS..Hα-helixtrans-63.5-42.5176.500000111.4N248 A249 Q255 A256N248-A252 WeakPolarHBondContact O-CB 3.49Å; N248-A252 PolarHBondContact O-N 3.06Å; A249-A252 PolarHBondContact O-N 3Å; A252-Q255 PolarHBondContact O-N 3.3Å; A252-A256 WeakPolarHBondContact O-CB 3.49Å; A252-A256 PolarHBondContact O-N 3.28Å
253E88.1Confident88.5Confident109 Ų10975.3 Ų75.351%0.50941%0.407SS..Hα-helixtrans-63.1-45.8176.3-168.3-163.9151.600111.6A249 S250 A256 K257A249-E253 WeakPolarHBondContact O-CB 3.43Å; A249-E253 PolarHBondContact O-N 3.25Å; S250-E253 PolarHBondContact O-N 3.36Å; E253-A256 PolarHBondContact O-N 3.48Å; E253-K257 WeakPolarHBondContact O-CG 3.29Å; E253-K257 PolarHBondContact O-N 2.95Å; E253-K257 VanDerWaalsContact OE1-CE 3.26Å; E253-K257 WeakPolarHBondContact OE1-CE 3.39Å; E253-K257 IonicContact OE1-NZ 2.63Å; E253-K257 PolarHBondContact OE1-NZ 3.39Å
254F87.3Confident89Confident22 Ų2280.7 Ų80.710%0.09643%0.427CS..Hα-helixtrans-62.6-43.8176.9-178.5-104.4000112.1S250 R251 A256 K257 I258 F282 W286 T291S250-F254 WeakPolarHBondContact O-CB 3.37Å; S250-F254 PolarHBondContact O-N 3.3Å; R251-F254 PolarHBondContact O-N 3.13Å; F254-A256 VanDerWaalsContact C-N 3.34Å; F254-A256 PolarHBondContact O-N 2.89Å; F254-K257 WeakPolarHBondContact O-CB 3.33Å; F254-K257 PolarHBondContact O-N 3.11Å; F254-I258 HydrophobicContact CD1-CD1 3.66Å; F254-I258 HydrophobicContact CE1-CD1 3.15Å; F254-I258 HydrophobicContact CE1-CG1 4.14Å; F254-I258 HydrophobicContact CE2-CD1 4.46Å; F254-I258 HydrophobicContact CZ-CD1 3.62Å; F254-I258 HydrophobicContact CZ-CG1 4.23Å; F254-I258 PolarHBondContact O-N 3.12Å; F254-F282 AromaticContact CE2-CD1 3.86Å; F254-F282 HydrophobicContact CE2-CD1 3.86Å; F254-F282 HydrophobicContact CZ-CB 4.09Å; F254-F282 AromaticContact CZ-CD1 3.86Å; F254-F282 HydrophobicContact CZ-CD1 3.86Å; F254-F282 HydrophobicContact CZ-CG 4.45Å; F254-F282 WeakPolarHBondContact CZ-O 3.31Å; F254-W286 HydrophobicContact CB-CE3 3.83Å; F254-W286 HydrophobicContact CB-CZ3 3.58Å; F254-W286 HydrophobicContact CD1-CB 4.33Å; F254-W286 AromaticContact CD1-CD2 3.76Å; F254-W286 HydrophobicContact CD1-CD2 3.76Å; F254-W286 AromaticContact CD1-CE3 3.19Å; F254-W286 HydrophobicContact CD1-CE3 3.19Å; F254-W286 HydrophobicContact CD1-CG 4.23Å; F254-W286 AromaticContact CD1-CZ3 3.84Å; F254-W286 HydrophobicContact CD1-CZ3 3.84Å; F254-W286 HydrophobicContact CD2-CE3 4.05Å; F254-W286 HydrophobicContact CE1-CB 3.55Å; F254-W286 AromaticContact CE1-CD2 3.9Å; F254-W286 HydrophobicContact CE1-CD2 3.9Å; F254-W286 AromaticContact CE1-CE3 3.64Å; F254-W286 HydrophobicContact CE1-CE3 3.64Å; F254-W286 AromaticContact CE1-CG 3.87Å; F254-W286 HydrophobicContact CE1-CG 3.87Å; F254-W286 HydrophobicContact CE2-CE3 4.45Å; F254-W286 HydrophobicContact CG-CD2 4.4Å; F254-W286 AromaticContact CG-CE3 3.41Å; F254-W286 HydrophobicContact CG-CE3 3.41Å; F254-W286 VanDerWaalsContact CG-CE3 3.41Å; F254-W286 AromaticContact CG-CZ3 3.73Å; F254-W286 HydrophobicContact CG-CZ3 3.73Å; F254-W286 HydrophobicContact CZ-CB 3.82Å; F254-W286 HydrophobicContact CZ-CE3 4.25Å; F254-T291 HydrophobicContact CD2-CG2 3.73Å; F254-T291 HydrophobicContact CE2-CG2 3.41Å; F254-T291 VanDerWaalsContact CE2-CG2 3.41Å; F254-T291 HydrophobicContact CZ-CG2 4Å
255Q88.7Confident89.4Confident76 Ų7677.5 Ų77.536%0.35541%0.411SS..Hα-helixtrans-62-42176.3-17060.651.400111.5R251 A252 K257 I258 D259R251-Q255 WeakPolarHBondContact O-CB 3.48Å; R251-Q255 PolarHBondContact O-N 3Å; A252-Q255 PolarHBondContact O-N 3.3Å; Q255-K257 VanDerWaalsContact C-N 3.32Å; Q255-K257 PolarHBondContact O-N 3.43Å; Q255-I258 PolarHBondContact O-N 3.24Å; Q255-I258 VanDerWaalsContact O-N 3.17Å; Q255-D259 PolarHBondContact NE2-OD1 3.47Å; Q255-D259 WeakPolarHBondContact O-CB 3.04Å; Q255-D259 PolarHBondContact O-N 3.05Å
256A91.8Very high89.6Confident53 Ų5379.6 Ų79.644%0.43841%0.412SS..Hα-helixtrans-61.6-37.6176.700000112.8A252 E253 F254 D259 S260A252-A256 WeakPolarHBondContact O-CB 3.49Å; A252-A256 PolarHBondContact O-N 3.28Å; E253-A256 PolarHBondContact O-N 3.48Å; F254-A256 VanDerWaalsContact C-N 3.34Å; F254-A256 PolarHBondContact O-N 2.89Å; A256-D259 PolarHBondContact O-N 2.98Å; A256-S260 WeakPolarHBondContact O-CB 3.42Å; A256-S260 PolarHBondContact O-N 3.47Å; A256-S260 PolarHBondContact O-OG 3.34Å
257K90.2Very high90.2Very high110 Ų11081.7 Ų81.748%0.47842%0.416SS..Hα-helixtrans-63.2-47.1172.4-71.6174.8-174.1167.90111.2E253 F254 Q255 D259 S260 I261E253-K257 WeakPolarHBondContact O-CG 3.29Å; E253-K257 PolarHBondContact O-N 2.95Å; E253-K257 VanDerWaalsContact OE1-CE 3.26Å; E253-K257 WeakPolarHBondContact OE1-CE 3.39Å; E253-K257 IonicContact OE1-NZ 2.63Å; E253-K257 PolarHBondContact OE1-NZ 3.39Å; F254-K257 WeakPolarHBondContact O-CB 3.33Å; F254-K257 PolarHBondContact O-N 3.11Å; Q255-K257 VanDerWaalsContact C-N 3.32Å; Q255-K257 PolarHBondContact O-N 3.43Å; K257-D259 VanDerWaalsContact C-N 3.33Å; K257-D259 PolarHBondContact O-N 3.27Å; K257-S260 PolarHBondContact O-N 3.37Å; K257-I261 WeakPolarHBondContact O-CG1 3.42Å; K257-I261 PolarHBondContact O-N 3.22Å; K257-I261 VanDerWaalsContact O-N 3.13Å
258I90.4Very high90.8Very high7 Ų783.8 Ų83.84%0.03642%0.418CS..Hα-helixtrans-59.8-45.2176.6-70.2168.3000111F254 Q255 S260 I261 K262 F282F254-I258 HydrophobicContact CD1-CD1 3.66Å; F254-I258 HydrophobicContact CE1-CD1 3.15Å; F254-I258 HydrophobicContact CE1-CG1 4.14Å; F254-I258 HydrophobicContact CE2-CD1 4.46Å; F254-I258 HydrophobicContact CZ-CD1 3.62Å; F254-I258 HydrophobicContact CZ-CG1 4.23Å; F254-I258 PolarHBondContact O-N 3.12Å; Q255-I258 PolarHBondContact O-N 3.24Å; Q255-I258 VanDerWaalsContact O-N 3.17Å; I258-S260 VanDerWaalsContact C-N 3.3Å; I258-S260 PolarHBondContact O-N 2.85Å; I258-I261 PolarHBondContact O-N 2.99Å; I258-I261 VanDerWaalsContact O-N 3.14Å; I258-K262 HydrophobicContact CG2-CD 3.95Å; I258-K262 VanDerWaalsContact CG2-CE 3.46Å; I258-K262 HydrophobicContact CG2-CG 4.24Å; I258-K262 WeakPolarHBondContact O-CG 3.43Å; I258-K262 PolarHBondContact O-N 3.39Å; I258-F282 HydrophobicContact CD1-CB 4.03Å; I258-F282 HydrophobicContact CD1-CG 4.45Å; I258-F282 HydrophobicContact CG1-CB 4.09Å; I258-F282 HydrophobicContact CG1-CD1 4.15Å; I258-F282 HydrophobicContact CG1-CD2 4.47Å; I258-F282 HydrophobicContact CG1-CG 3.99Å
259D92.9Very high91.3Very high64 Ų6489.3 Ų89.334%0.34244%0.438SS..Hα-helixtrans-65-37.5-176.9-67.2-16.7000111.1Q255 A256 K257 I261 K262 Q263Q255-D259 PolarHBondContact NE2-OD1 3.47Å; Q255-D259 WeakPolarHBondContact O-CB 3.04Å; Q255-D259 PolarHBondContact O-N 3.05Å; A256-D259 PolarHBondContact O-N 2.98Å; K257-D259 VanDerWaalsContact C-N 3.33Å; K257-D259 PolarHBondContact O-N 3.27Å; D259-I261 VanDerWaalsContact C-N 3.35Å; D259-I261 PolarHBondContact O-N 3.5Å; D259-K262 PolarHBondContact O-N 2.91Å; D259-Q263 VanDerWaalsContact O-CG 3.29Å; D259-Q263 WeakPolarHBondContact O-CG 2.94Å; D259-Q263 PolarHBondContact O-N 3.14Å
260S94.3Very high91.7Very high74 Ų7489.1 Ų89.152%0.51743%0.432SS..Hα-helixtrans-61.8-40.8173-59.90000112.3A256 K257 I258 Q263 Y264A256-S260 WeakPolarHBondContact O-CB 3.42Å; A256-S260 PolarHBondContact O-N 3.47Å; A256-S260 PolarHBondContact O-OG 3.34Å; K257-S260 PolarHBondContact O-N 3.37Å; I258-S260 VanDerWaalsContact C-N 3.3Å; I258-S260 PolarHBondContact O-N 2.85Å; S260-Q263 PolarHBondContact O-N 3Å; S260-Y264 PolarHBondContact O-N 3.45Å
261I93.3Very high92.2Very high57 Ų5789.9 Ų89.929%0.29243%0.434SS..Hα-helixtrans-70.6-40.9178.3-65.4169000110.9K257 I258 D259 Q263 Y264 M265 V278 F282K257-I261 WeakPolarHBondContact O-CG1 3.42Å; K257-I261 PolarHBondContact O-N 3.22Å; K257-I261 VanDerWaalsContact O-N 3.13Å; I258-I261 PolarHBondContact O-N 2.99Å; I258-I261 VanDerWaalsContact O-N 3.14Å; D259-I261 VanDerWaalsContact C-N 3.35Å; D259-I261 PolarHBondContact O-N 3.5Å; I261-Q263 VanDerWaalsContact C-N 3.34Å; I261-Q263 PolarHBondContact O-N 3.41Å; I261-Y264 WeakPolarHBondContact O-CB 3.42Å; I261-Y264 PolarHBondContact O-N 3.46Å; I261-M265 HydrophobicContact CG2-CE 4.1Å; I261-M265 HydrophobicContact CG2-CG 4.46Å; I261-M265 HydrophobicContact CG2-SD 4.42Å; I261-M265 WeakPolarHBondContact O-CG 3.37Å; I261-M265 PolarHBondContact O-N 3Å; I261-V278 HydrophobicContact CG2-CG1 4.05Å; I261-F282 HydrophobicContact CD1-CE1 4.19Å; I261-F282 HydrophobicContact CD1-CE2 3.46Å; I261-F282 VanDerWaalsContact CD1-CE2 3.46Å; I261-F282 HydrophobicContact CD1-CZ 3.18Å; I261-F282 HydrophobicContact CG2-CE2 4.41Å
262K92.1Very high92.5Very high61 Ų6191.1 Ų91.127%0.26544%0.439SS..Hα-helixtrans-58.5-46.3173.1-73.7175.2178.7170.30111.2I258 D259 Y264 M265 Q266I258-K262 HydrophobicContact CG2-CD 3.95Å; I258-K262 VanDerWaalsContact CG2-CE 3.46Å; I258-K262 HydrophobicContact CG2-CG 4.24Å; I258-K262 WeakPolarHBondContact O-CG 3.43Å; I258-K262 PolarHBondContact O-N 3.39Å; D259-K262 PolarHBondContact O-N 2.91Å; K262-Y264 VanDerWaalsContact C-N 3.34Å; K262-Y264 PolarHBondContact O-N 3.05Å; K262-M265 HydrophobicContact CG-CE 4.35Å; K262-M265 PolarHBondContact O-N 3.3Å; K262-Q266 WeakPolarHBondContact O-CG 3.36Å; K262-Q266 PolarHBondContact O-N 3.28Å
263Q94.2Very high92.7Very high132 Ų13294.7 Ų94.762%0.61745%0.45SS*.Hα-helixtrans-59.6-44175.5-72.9176.419.100111.8D259 S260 I261 Q266 F267D259-Q263 VanDerWaalsContact O-CG 3.29Å; D259-Q263 WeakPolarHBondContact O-CG 2.94Å; D259-Q263 PolarHBondContact O-N 3.14Å; S260-Q263 PolarHBondContact O-N 3Å; I261-Q263 VanDerWaalsContact C-N 3.34Å; I261-Q263 PolarHBondContact O-N 3.41Å; Q263-Q266 PolarHBondContact O-N 3.05Å; Q263-F267 WeakPolarHBondContact O-CB 3.29Å; Q263-F267 PolarHBondContact O-N 3.25Å
264Y95Very high92.8Very high137 Ų13793.1 Ų93.154%0.53744%0.444SS..Hα-helixtrans-60.3-46176.1178.6-96.4000112.6S260 I261 K262 Q266 F267 R268S260-Y264 PolarHBondContact O-N 3.45Å; I261-Y264 WeakPolarHBondContact O-CB 3.42Å; I261-Y264 PolarHBondContact O-N 3.46Å; K262-Y264 VanDerWaalsContact C-N 3.34Å; K262-Y264 PolarHBondContact O-N 3.05Å; Y264-Q266 PolarHBondContact O-N 3.06Å; Y264-F267 PolarHBondContact O-N 3.32Å; Y264-R268 HydrophobicContact CD1-CG 4.45Å; Y264-R268 HydrophobicContact CD2-CG 4.38Å; Y264-R268 HydrophobicContact CE1-CG 4.01Å; Y264-R268 HydrophobicContact CE2-CG 3.93Å; Y264-R268 WeakPolarHBondContact O-CB 3.23Å; Y264-R268 WeakPolarHBondContact O-CG 3.28Å; Y264-R268 PolarHBondContact O-N 3.48Å
265M94.8Very high93Very high13 Ų1393 Ų936%0.06444%0.444CS..Hα-helixtrans-64.1-40.1179.2-71.5-171.2-61.900112.2I261 K262 R268 K269 V270 E275 V278I261-M265 HydrophobicContact CG2-CE 4.1Å; I261-M265 HydrophobicContact CG2-CG 4.46Å; I261-M265 HydrophobicContact CG2-SD 4.42Å; I261-M265 WeakPolarHBondContact O-CG 3.37Å; I261-M265 PolarHBondContact O-N 3Å; K262-M265 HydrophobicContact CG-CE 4.35Å; K262-M265 PolarHBondContact O-N 3.3Å; M265-R268 CarbonylContact O-C 3.56Å; M265-R268 PolarHBondContact O-N 2.93Å; M265-K269 PolarHBondContact O-N 3.44Å; M265-V270 HydrophobicContact CB-CB 4.09Å; M265-V270 HydrophobicContact CB-CG2 4.12Å; M265-V270 HydrophobicContact CG-CB 4.38Å; M265-V270 HydrophobicContact CG-CG2 4.19Å; M265-V270 PolarHBondContact O-N 3.39Å; M265-E275 HydrophobicContact CE-CB 4.27Å; M265-E275 HydrophobicContact CE-CG 3.8Å; M265-E275 HydrophobicContact SD-CB 4.25Å; M265-E275 HydrophobicContact SD-CG 4.42Å; M265-V278 HydrophobicContact CE-CB 4.38Å; M265-V278 HydrophobicContact CE-CG1 4.17Å; M265-V278 HydrophobicContact SD-CB 4.05Å; M265-V278 HydrophobicContact SD-CG1 4.11Å; M265-V278 HydrophobicContact SD-CG2 4.13Å
266Q93.3Very high93.1Very high124 Ų12492.2 Ų92.258%0.57945%0.45SS*.Hα-helixtrans-64.2-46.8174.9-72.7179.24.400111.4K262 Q263 Y264 R268 K269K262-Q266 WeakPolarHBondContact O-CG 3.36Å; K262-Q266 PolarHBondContact O-N 3.28Å; Q263-Q266 PolarHBondContact O-N 3.05Å; Y264-Q266 PolarHBondContact O-N 3.06Å; Q266-R268 VanDerWaalsContact C-N 3.3Å; Q266-R268 PolarHBondContact O-N 2.91Å; Q266-K269 PolarHBondContact O-N 2.91Å; Q266-K269 VanDerWaalsContact O-N 3.1Å
267F95.9Very high93.1Very high155 Ų15595.9 Ų95.968%0.6845%0.453SS*.Hα-helixtrans-60-40.6177.7179.2-103.2000112.2Q263 Y264 K269Q263-F267 WeakPolarHBondContact O-CB 3.29Å; Q263-F267 PolarHBondContact O-N 3.25Å; Y264-F267 PolarHBondContact O-N 3.32Å; F267-K269 VanDerWaalsContact C-N 3.31Å; F267-K269 PolarHBondContact O-N 3.49Å
268R96.4Very high93.1Very high154 Ų15492.4 Ų92.458%0.58144%0.44SS*.THydrogen-bonded Turntrans-83.70177.9-65.3-59.8-171.8-177.1-0.7114.3Y264 M265 Q266 V270Y264-R268 HydrophobicContact CD1-CG 4.45Å; Y264-R268 HydrophobicContact CD2-CG 4.38Å; Y264-R268 HydrophobicContact CE1-CG 4.01Å; Y264-R268 HydrophobicContact CE2-CG 3.93Å; Y264-R268 WeakPolarHBondContact O-CB 3.23Å; Y264-R268 WeakPolarHBondContact O-CG 3.28Å; Y264-R268 PolarHBondContact O-N 3.48Å; M265-R268 CarbonylContact O-C 3.56Å; M265-R268 PolarHBondContact O-N 2.93Å; Q266-R268 VanDerWaalsContact C-N 3.3Å; Q266-R268 PolarHBondContact O-N 2.91Å; R268-V270 VanDerWaalsContact C-N 3.3Å; R268-V270 HydrophobicContact CB-CG2 4.22Å; R268-V270 PolarHBondContact O-N 2.86Å
269K94.8Very high93.1Very high189 Ų18994.1 Ų94.182%0.82245%0.449SS*.THydrogen-bonded Turntrans52.946.2-179.5-56.9-179.4179.9-179.50112.6M265 Q266 F267M265-K269 PolarHBondContact O-N 3.44Å; Q266-K269 PolarHBondContact O-N 2.91Å; Q266-K269 VanDerWaalsContact O-N 3.1Å; F267-K269 VanDerWaalsContact C-N 3.31Å; F267-K269 PolarHBondContact O-N 3.49Å
270V95.3Very high93Very high44 Ų4497.2 Ų97.227%0.26746%0.46SS..  trans-63.2148.6174.8175.90000110.1M265 R268 L274M265-V270 HydrophobicContact CB-CB 4.09Å; M265-V270 HydrophobicContact CB-CG2 4.12Å; M265-V270 HydrophobicContact CG-CB 4.38Å; M265-V270 HydrophobicContact CG-CG2 4.19Å; M265-V270 PolarHBondContact O-N 3.39Å; R268-V270 VanDerWaalsContact C-N 3.3Å; R268-V270 HydrophobicContact CB-CG2 4.22Å; R268-V270 PolarHBondContact O-N 2.86Å; V270-L274 HydrophobicContact CG1-CB 3.71Å; V270-L274 HydrophobicContact CG1-CD2 3.67Å; V270-L274 HydrophobicContact CG1-CG 3.83Å
271T95.4Very high92.7Very high89 Ų8997.3 Ų97.355%0.54645%0.449SS..  trans-61.9146.7177.855.40000111.4D273 L274 E275T271-D273 PolarHBondContact O-N 3.05Å; T271-L274 PolarHBondContact O-N 3.49Å; T271-L274 VanDerWaalsContact O-N 3.14Å; T271-L274 WeakPolarHBondContact OG1-CB 3.47Å; T271-E275 PolarHBondContact O-N 2.86Å
272R90.8Very high92.5Very high183 Ų18395.9 Ų95.969%0.69144%0.441SS*.Hα-helixtrans-59-33.9179-69.3-61.1-167.3172.15.4112.7E275 A276R272-E275 WeakPolarHBondContact CD-OE2 3.42Å; R272-E275 IonicContact CZ-OE2 3.7Å; R272-E275 IonicContact NE-OE2 3.08Å; R272-E275 IonicContact NH1-OE1 3.42Å; R272-E275 IonicContact NH1-OE2 3.83Å; R272-E275 PolarHBondContact NH1-OE2 3.14Å; R272-E275 PolarHBondContact O-N 3.17Å; R272-A276 WeakPolarHBondContact O-CB 3.3Å; R272-A276 PolarHBondContact O-N 3.47Å
273D91.5Very high92.3Very high136 Ų13697 Ų9773%0.72745%0.45SS*.Hα-helixtrans-65.5-41.7177.5-58.5-49.9000112.2T271 R277T271-D273 PolarHBondContact O-N 3.05Å; D273-R277 WeakPolarHBondContact O-CB 3.48Å; D273-R277 PolarHBondContact O-N 2.87Å
274L90.7Very high91.9Very high75 Ų7592.5 Ų92.539%0.39343%0.427SS..Hα-helixtrans-71.9-39.9177.5-176.358.7000111V270 T271 A276 R277 V278V270-L274 HydrophobicContact CG1-CB 3.71Å; V270-L274 HydrophobicContact CG1-CD2 3.67Å; V270-L274 HydrophobicContact CG1-CG 3.83Å; T271-L274 PolarHBondContact O-N 3.49Å; T271-L274 VanDerWaalsContact O-N 3.14Å; T271-L274 WeakPolarHBondContact OG1-CB 3.47Å; L274-A276 PolarHBondContact O-N 3.41Å; L274-R277 PolarHBondContact O-N 3.37Å; L274-V278 HydrophobicContact CD1-CG2 4.38Å; L274-V278 VanDerWaalsContact O-CG2 3.3Å; L274-V278 WeakPolarHBondContact O-CG2 3.45Å; L274-V278 PolarHBondContact O-N 3Å
275E91.3Very high91.5Very high21 Ų2186.8 Ų86.810%0.09841%0.406CS..Hα-helixtrans-56.7-48.7173176.9176.4-159.600111.4M265 T271 R272 R277 V278 I279M265-E275 HydrophobicContact CE-CB 4.27Å; M265-E275 HydrophobicContact CE-CG 3.8Å; M265-E275 HydrophobicContact SD-CB 4.25Å; M265-E275 HydrophobicContact SD-CG 4.42Å; T271-E275 PolarHBondContact O-N 2.86Å; R272-E275 WeakPolarHBondContact CD-OE2 3.42Å; R272-E275 IonicContact CZ-OE2 3.7Å; R272-E275 IonicContact NE-OE2 3.08Å; R272-E275 IonicContact NH1-OE1 3.42Å; R272-E275 IonicContact NH1-OE2 3.83Å; R272-E275 PolarHBondContact NH1-OE2 3.14Å; R272-E275 PolarHBondContact O-N 3.17Å; E275-R277 VanDerWaalsContact C-N 3.35Å; E275-R277 PolarHBondContact O-N 3.46Å; E275-V278 PolarHBondContact O-N 3.14Å; E275-I279 HydrophobicContact CG-CD1 3.93Å; E275-I279 WeakPolarHBondContact O-CG1 3.37Å; E275-I279 PolarHBondContact O-N 3.25Å
276A90.9Very high91.1Very high58 Ų5890 Ų9048%0.47942%0.417SS..Hα-helixtrans-62.3-40.617800000112.3R272 L274 I279 K280R272-A276 WeakPolarHBondContact O-CB 3.3Å; R272-A276 PolarHBondContact O-N 3.47Å; L274-A276 PolarHBondContact O-N 3.41Å; A276-I279 PolarHBondContact O-N 2.93Å; A276-K280 WeakPolarHBondContact O-CB 3.48Å; A276-K280 PolarHBondContact O-N 3.47Å
277R90.9Very high90.7Very high130 Ų13088.8 Ų88.849%0.49142%0.418SS..Hα-helixtrans-64.4-42.2176.7-177.7172.3162.4-142.8-7.1112.1D273 L274 E275 K280 W281 D348D273-R277 WeakPolarHBondContact O-CB 3.48Å; D273-R277 PolarHBondContact O-N 2.87Å; L274-R277 PolarHBondContact O-N 3.37Å; E275-R277 VanDerWaalsContact C-N 3.35Å; E275-R277 PolarHBondContact O-N 3.46Å; R277-K280 PolarHBondContact O-N 3.4Å; R277-W281 PolarHBondContact O-N 3.3Å; R277-D348 IonicContact CZ-OD1 3.71Å; R277-D348 IonicContact NE-OD1 3.77Å; R277-D348 IonicContact NH2-OD1 2.91Å; R277-D348 PolarHBondContact NH2-OD1 3.41Å; R277-D348 IonicContact NH2-OD2 3.14Å
278V91.3Very high90Very high37 Ų3785.9 Ų85.922%0.22441%0.407CS..Hα-helixtrans-63.6-46.7176.9170.80000110.9I261 M265 L274 E275 K280 W281 F282I261-V278 HydrophobicContact CG2-CG1 4.05Å; M265-V278 HydrophobicContact CE-CB 4.38Å; M265-V278 HydrophobicContact CE-CG1 4.17Å; M265-V278 HydrophobicContact SD-CB 4.05Å; M265-V278 HydrophobicContact SD-CG1 4.11Å; M265-V278 HydrophobicContact SD-CG2 4.13Å; L274-V278 HydrophobicContact CD1-CG2 4.38Å; L274-V278 VanDerWaalsContact O-CG2 3.3Å; L274-V278 WeakPolarHBondContact O-CG2 3.45Å; L274-V278 PolarHBondContact O-N 3Å; E275-V278 PolarHBondContact O-N 3.14Å; V278-K280 PolarHBondContact O-N 2.97Å; V278-W281 WeakPolarHBondContact O-CB 3.34Å; V278-W281 PolarHBondContact O-N 2.91Å; V278-F282 HydrophobicContact CG1-CD2 3.9Å; V278-F282 HydrophobicContact CG1-CE2 3.77Å; V278-F282 VanDerWaalsContact O-CD2 3.31Å; V278-F282 WeakPolarHBondContact O-CD2 3.4Å; V278-F282 PolarHBondContact O-N 3.22Å; V278-F282 VanDerWaalsContact O-N 3.12Å
279I90.4Very high89.2Confident43 Ų4386.9 Ų86.922%0.22142%0.416CS..Hα-helixtrans-61-46.1178.4-66.3166.9000110.6E275 A276 W281 F282 D283E275-I279 HydrophobicContact CG-CD1 3.93Å; E275-I279 WeakPolarHBondContact O-CG1 3.37Å; E275-I279 PolarHBondContact O-N 3.25Å; A276-I279 PolarHBondContact O-N 2.93Å; I279-W281 VanDerWaalsContact C-N 3.27Å; I279-W281 PolarHBondContact O-N 3.45Å; I279-F282 PolarHBondContact O-N 2.94Å; I279-F282 VanDerWaalsContact O-N 3.11Å; I279-D283 PolarHBondContact O-N 2.99Å
280K90.3Very high88.1Confident129 Ų12980.5 Ų80.556%0.56139%0.388SS*.Hα-helixtrans-62-33.4178.8-165.3-175.3176.1175.90112.9A276 R277 V278 Y284 Y414A276-K280 WeakPolarHBondContact O-CB 3.48Å; A276-K280 PolarHBondContact O-N 3.47Å; R277-K280 PolarHBondContact O-N 3.4Å; V278-K280 PolarHBondContact O-N 2.97Å; K280-Y284 PolarHBondContact O-N 3.39Å; K280-Y284 VanDerWaalsContact O-N 3.13Å; K280-Y414 WeakPolarHBondContact CG-OH 3.43Å; K280-Y414 PolarHBondContact O-OH 2.98Å
281W89Confident86.8Confident77 Ų7780.7 Ų80.729%0.29239%0.389SS..Hα-helixtrans-66.7-44.4173.617879.1000111.7R277 V278 I279 Y284 L285 V343R277-W281 PolarHBondContact O-N 3.3Å; V278-W281 WeakPolarHBondContact O-CB 3.34Å; V278-W281 PolarHBondContact O-N 2.91Å; I279-W281 VanDerWaalsContact C-N 3.27Å; I279-W281 PolarHBondContact O-N 3.45Å; W281-Y284 WeakPolarHBondContact O-CB 3.31Å; W281-Y284 PolarHBondContact O-N 2.99Å; W281-L285 HydrophobicContact CD2-CD1 3.9Å; W281-L285 HydrophobicContact CD2-CG 4.33Å; W281-L285 HydrophobicContact CE3-CD1 3.77Å; W281-L285 HydrophobicContact CH2-CD1 3.39Å; W281-L285 HydrophobicContact CZ2-CD1 3.5Å; W281-L285 VanDerWaalsContact CZ2-CD1 3.5Å; W281-L285 HydrophobicContact CZ2-CG 4.32Å; W281-L285 HydrophobicContact CZ3-CD1 3.51Å; W281-L285 WeakPolarHBondContact O-CG 3.41Å; W281-L285 PolarHBondContact O-N 3.35Å; W281-V343 PolarHBondContact NE1-O 2.99Å
282F88.5Confident85.3Confident27 Ų2780.5 Ų80.512%0.11839%0.39CS..Hα-helixtrans-63.6-41174.6-82.2-69000112.8F254 I258 I261 V278 I279 Y284 L285 W286F254-F282 AromaticContact CE2-CD1 3.86Å; F254-F282 HydrophobicContact CE2-CD1 3.86Å; F254-F282 HydrophobicContact CZ-CB 4.09Å; F254-F282 AromaticContact CZ-CD1 3.86Å; F254-F282 HydrophobicContact CZ-CD1 3.86Å; F254-F282 HydrophobicContact CZ-CG 4.45Å; F254-F282 WeakPolarHBondContact CZ-O 3.31Å; I258-F282 HydrophobicContact CD1-CB 4.03Å; I258-F282 HydrophobicContact CD1-CG 4.45Å; I258-F282 HydrophobicContact CG1-CB 4.09Å; I258-F282 HydrophobicContact CG1-CD1 4.15Å; I258-F282 HydrophobicContact CG1-CD2 4.47Å; I258-F282 HydrophobicContact CG1-CG 3.99Å; I261-F282 HydrophobicContact CD1-CE1 4.19Å; I261-F282 HydrophobicContact CD1-CE2 3.46Å; I261-F282 VanDerWaalsContact CD1-CE2 3.46Å; I261-F282 HydrophobicContact CD1-CZ 3.18Å; I261-F282 HydrophobicContact CG2-CE2 4.41Å; V278-F282 HydrophobicContact CG1-CD2 3.9Å; V278-F282 HydrophobicContact CG1-CE2 3.77Å; V278-F282 VanDerWaalsContact O-CD2 3.31Å; V278-F282 WeakPolarHBondContact O-CD2 3.4Å; V278-F282 PolarHBondContact O-N 3.22Å; V278-F282 VanDerWaalsContact O-N 3.12Å; I279-F282 PolarHBondContact O-N 2.94Å; I279-F282 VanDerWaalsContact O-N 3.11Å; F282-Y284 VanDerWaalsContact C-N 3.28Å; F282-Y284 PolarHBondContact O-N 3.46Å; F282-L285 HydrophobicContact CD1-CD1 4.45Å; F282-L285 PolarHBondContact O-N 3.18Å; F282-W286 PolarHBondContact O-N 3.22Å
283D87.2Confident84.4Confident85 Ų8576.2 Ų76.246%0.45538%0.381SS..Hα-helixtrans-60.1-40.2176.1-70.9-22.5000111.6I279 W286 T287I279-D283 PolarHBondContact O-N 2.99Å; D283-W286 PolarHBondContact O-N 3.31Å; D283-T287 WeakPolarHBondContact O-CB 3.48Å; D283-T287 PolarHBondContact O-N 3.31Å; D283-T287 PolarHBondContact O-OG1 2.94Å
284Y87.3Confident83.3Confident36 Ų3673.3 Ų73.314%0.14136%0.363CS..Hα-helixtrans-63.2-49.7174176.5-99.2000111.7K280 W281 F282 W286 T287 E288 K290 V343 Y414K280-Y284 PolarHBondContact O-N 3.39Å; K280-Y284 VanDerWaalsContact O-N 3.13Å; W281-Y284 WeakPolarHBondContact O-CB 3.31Å; W281-Y284 PolarHBondContact O-N 2.99Å; F282-Y284 VanDerWaalsContact C-N 3.28Å; F282-Y284 PolarHBondContact O-N 3.46Å; Y284-W286 VanDerWaalsContact C-N 3.26Å; Y284-W286 PolarHBondContact O-N 3.1Å; Y284-T287 PolarHBondContact O-N 3.06Å; Y284-E288 HydrophobicContact CD2-CG 3.95Å; Y284-E288 HydrophobicContact CE1-CG 4.2Å; Y284-E288 HydrophobicContact CE2-CG 3.46Å; Y284-E288 VanDerWaalsContact CE2-CG 3.46Å; Y284-E288 WeakPolarHBondContact O-CB 3.37Å; Y284-E288 PolarHBondContact O-N 3.06Å; Y284-K290 HydrophobicContact CE1-CD 4.34Å; Y284-K290 PolarHBondContact OH-NZ 3.38Å; Y284-V343 HydrophobicContact CD1-CG1 3.96Å; Y284-V343 HydrophobicContact CE1-CG1 3.6Å; Y284-Y414 AromaticContact CD1-CD1 3.33Å; Y284-Y414 HydrophobicContact CD1-CD1 3.33Å; Y284-Y414 AromaticContact CD1-CE1 3.7Å; Y284-Y414 HydrophobicContact CD1-CE1 3.7Å; Y284-Y414 AromaticContact CD1-CG 3.88Å; Y284-Y414 HydrophobicContact CD1-CG 3.88Å; Y284-Y414 AromaticContact CD2-CD1 3.78Å; Y284-Y414 HydrophobicContact CD2-CD1 3.78Å; Y284-Y414 AromaticContact CD2-CD2 3.65Å; Y284-Y414 HydrophobicContact CD2-CD2 3.65Å; Y284-Y414 AromaticContact CD2-CE1 3.99Å; Y284-Y414 HydrophobicContact CD2-CE1 3.99Å; Y284-Y414 AromaticContact CD2-CE2 3.88Å; Y284-Y414 HydrophobicContact CD2-CE2 3.88Å; Y284-Y414 AromaticContact CD2-CG 3.59Å; Y284-Y414 HydrophobicContact CD2-CG 3.59Å; Y284-Y414 AromaticContact CE1-CD1 3.6Å; Y284-Y414 HydrophobicContact CE1-CD1 3.6Å; Y284-Y414 HydrophobicContact CE1-CE1 4.41Å; Y284-Y414 AromaticContact CE1-CG 3.81Å; Y284-Y414 HydrophobicContact CE1-CG 3.81Å; Y284-Y414 HydrophobicContact CE2-CD1 4.02Å; Y284-Y414 AromaticContact CE2-CD2 3.76Å; Y284-Y414 HydrophobicContact CE2-CD2 3.76Å; Y284-Y414 HydrophobicContact CE2-CE2 4.46Å; Y284-Y414 AromaticContact CE2-CG 3.51Å; Y284-Y414 HydrophobicContact CE2-CG 3.51Å; Y284-Y414 AromaticContact CG-CD1 3.43Å; Y284-Y414 HydrophobicContact CG-CD1 3.43Å; Y284-Y414 VanDerWaalsContact CG-CD1 3.43Å; Y284-Y414 HydrophobicContact CG-CD2 4.13Å; Y284-Y414 AromaticContact CG-CE1 3.45Å; Y284-Y414 HydrophobicContact CG-CE1 3.45Å; Y284-Y414 VanDerWaalsContact CG-CE1 3.45Å; Y284-Y414 HydrophobicContact CG-CE2 4.17Å; Y284-Y414 AromaticContact CG-CG 3.77Å; Y284-Y414 HydrophobicContact CG-CG 3.77Å; Y284-Y414 AromaticContact CG-CZ 3.83Å; Y284-Y414 AromaticContact CZ-CD1 3.93Å; Y284-Y414 AromaticContact CZ-CG 3.62Å; Y284-Y414 WeakPolarHBondContact OH-CB 3.46Å
285L86.4Confident82.4Confident17 Ų1775.7 Ų75.79%0.08937%0.37CS..Hα-helixtrans-56.5-41.5178.1-72.7-179.3000112.2W281 F282 K289 K290 T291 V343W281-L285 HydrophobicContact CD2-CD1 3.9Å; W281-L285 HydrophobicContact CD2-CG 4.33Å; W281-L285 HydrophobicContact CE3-CD1 3.77Å; W281-L285 HydrophobicContact CH2-CD1 3.39Å; W281-L285 HydrophobicContact CZ2-CD1 3.5Å; W281-L285 VanDerWaalsContact CZ2-CD1 3.5Å; W281-L285 HydrophobicContact CZ2-CG 4.32Å; W281-L285 HydrophobicContact CZ3-CD1 3.51Å; W281-L285 WeakPolarHBondContact O-CG 3.41Å; W281-L285 PolarHBondContact O-N 3.35Å; F282-L285 HydrophobicContact CD1-CD1 4.45Å; F282-L285 PolarHBondContact O-N 3.18Å; L285-K289 PolarHBondContact O-N 3Å; L285-K290 HydrophobicContact CD2-CB 3.98Å; L285-K290 PolarHBondContact O-N 3.18Å; L285-T291 HydrophobicContact CB-CG2 4.1Å; L285-V343 HydrophobicContact CD2-CB 4Å; L285-V343 HydrophobicContact CD2-CG1 4.08Å; L285-V343 HydrophobicContact CD2-CG2 3.88Å
286W84.9Confident81.7Confident80 Ų8080 Ų8030%0.30339%0.39SS..Hα-helixtrans-67.3-48.3178-177-100.7000112.6R251 F254 F282 D283 Y284 E288 K289 T291R251-W286 HydrophobicContact CB-CH2 3.56Å; R251-W286 HydrophobicContact CB-CZ2 3.79Å; R251-W286 HydrophobicContact CG-CH2 3.82Å; R251-W286 HydrophobicContact CG-CZ2 3.62Å; F254-W286 HydrophobicContact CB-CE3 3.83Å; F254-W286 HydrophobicContact CB-CZ3 3.58Å; F254-W286 HydrophobicContact CD1-CB 4.33Å; F254-W286 AromaticContact CD1-CD2 3.76Å; F254-W286 HydrophobicContact CD1-CD2 3.76Å; F254-W286 AromaticContact CD1-CE3 3.19Å; F254-W286 HydrophobicContact CD1-CE3 3.19Å; F254-W286 HydrophobicContact CD1-CG 4.23Å; F254-W286 AromaticContact CD1-CZ3 3.84Å; F254-W286 HydrophobicContact CD1-CZ3 3.84Å; F254-W286 HydrophobicContact CD2-CE3 4.05Å; F254-W286 HydrophobicContact CE1-CB 3.55Å; F254-W286 AromaticContact CE1-CD2 3.9Å; F254-W286 HydrophobicContact CE1-CD2 3.9Å; F254-W286 AromaticContact CE1-CE3 3.64Å; F254-W286 HydrophobicContact CE1-CE3 3.64Å; F254-W286 AromaticContact CE1-CG 3.87Å; F254-W286 HydrophobicContact CE1-CG 3.87Å; F254-W286 HydrophobicContact CE2-CE3 4.45Å; F254-W286 HydrophobicContact CG-CD2 4.4Å; F254-W286 AromaticContact CG-CE3 3.41Å; F254-W286 HydrophobicContact CG-CE3 3.41Å; F254-W286 VanDerWaalsContact CG-CE3 3.41Å; F254-W286 AromaticContact CG-CZ3 3.73Å; F254-W286 HydrophobicContact CG-CZ3 3.73Å; F254-W286 HydrophobicContact CZ-CB 3.82Å; F254-W286 HydrophobicContact CZ-CE3 4.25Å; F282-W286 PolarHBondContact O-N 3.22Å; D283-W286 PolarHBondContact O-N 3.31Å; Y284-W286 VanDerWaalsContact C-N 3.26Å; Y284-W286 PolarHBondContact O-N 3.1Å; W286-E288 VanDerWaalsContact C-N 3.34Å; W286-E288 PolarHBondContact O-N 3.14Å; W286-K289 PolarHBondContact O-N 3.23Å; W286-T291 HydrophobicContact CE3-CG2 4.1Å
287T85.1Confident81.2Confident99 Ų9981.4 Ų81.461%0.60739%0.393SS*.Hα-helixtrans-63.8-41.2-175.8-55.30000111.4D283 Y284 K289D283-T287 WeakPolarHBondContact O-CB 3.48Å; D283-T287 PolarHBondContact O-N 3.31Å; D283-T287 PolarHBondContact O-OG1 2.94Å; Y284-T287 PolarHBondContact O-N 3.06Å; T287-K289 PolarHBondContact O-N 3.27Å
288E81.3Confident80.6Confident95 Ų9577.2 Ų77.244%0.44438%0.38SS..THydrogen-bonded Turntrans-813.7176.8-65.8-58.4142.100113.5Y284 W286 K290Y284-E288 HydrophobicContact CD2-CG 3.95Å; Y284-E288 HydrophobicContact CE1-CG 4.2Å; Y284-E288 HydrophobicContact CE2-CG 3.46Å; Y284-E288 VanDerWaalsContact CE2-CG 3.46Å; Y284-E288 WeakPolarHBondContact O-CB 3.37Å; Y284-E288 PolarHBondContact O-N 3.06Å; W286-E288 VanDerWaalsContact C-N 3.34Å; W286-E288 PolarHBondContact O-N 3.14Å; E288-K290 HydrophobicContact CB-CD 3.82Å; E288-K290 HydrophobicContact CB-CG 3.9Å; E288-K290 PolarHBondContact O-N 3.13Å
289K79.2Confident80.2Confident175 Ų17581.7 Ų81.776%0.76140%0.397SS*.THydrogen-bonded Turntrans55.830.3-178.1-55.5-179.8-178.6176.20113.8L285 W286 T287 T291L285-K289 PolarHBondContact O-N 3Å; W286-K289 PolarHBondContact O-N 3.23Å; T287-K289 PolarHBondContact O-N 3.27Å; K289-T291 PolarHBondContact O-N 3.46Å
290K72.6Confident80Confident54 Ų5485.5 Ų85.524%0.23542%0.422CS..THydrogen-bonded Turntrans-88.519.4179.3-65.3175.7-177.2169.70112.9Y284 L285 E288 V343 D416Y284-K290 HydrophobicContact CE1-CD 4.34Å; Y284-K290 PolarHBondContact OH-NZ 3.38Å; L285-K290 HydrophobicContact CD2-CB 3.98Å; L285-K290 PolarHBondContact O-N 3.18Å; E288-K290 HydrophobicContact CB-CD 3.82Å; E288-K290 HydrophobicContact CB-CG 3.9Å; E288-K290 PolarHBondContact O-N 3.13Å; K290-V343 HydrophobicContact CD-CG2 4.08Å; K290-D416 WeakPolarHBondContact CE-OD2 3.45Å; K290-D416 IonicContact NZ-OD1 3.86Å; K290-D416 PolarHBondContact NZ-OD1 2.9Å; K290-D416 IonicContact NZ-OD2 2.78Å; K290-D416 PolarHBondContact NZ-OD2 3.09Å
291T67.3Low79.8Confident48 Ų4881.9 Ų81.929%0.29441%0.409SS..THydrogen-bonded Turntrans-91.6-8.9-176.752.80000113.7F254 L285 W286 K289 D293F254-T291 HydrophobicContact CD2-CG2 3.73Å; F254-T291 HydrophobicContact CE2-CG2 3.41Å; F254-T291 VanDerWaalsContact CE2-CG2 3.41Å; F254-T291 HydrophobicContact CZ-CG2 4Å; L285-T291 HydrophobicContact CB-CG2 4.1Å; W286-T291 HydrophobicContact CE3-CG2 4.1Å; K289-T291 PolarHBondContact O-N 3.46Å; T291-D293 PolarHBondContact O-N 3.35Å
292C65.4Low79.8Confident85 Ų8582 Ų8257%0.57442%0.42SS*.SBendtrans-79.2119.6177.3-67.10000109.7E294C292-E294 PolarHBondContact O-N 3.42Å; C292-E294 VanDerWaalsContact O-N 3.13Å
293D70.3Confident79.5Confident93 Ų9386.4 Ų86.450%0.49744%0.444SS..  trans-72.4103.3168.1-172.2-13.1000108.8T291 K295 E296 V297T291-D293 PolarHBondContact O-N 3.35Å; D293-K295 PolarHBondContact O-N 3.39Å; D293-K295 WeakPolarHBondContact OD1-CB 2.98Å; D293-K295 PolarHBondContact OD1-N 3.2Å; D293-E296 HydrophobicContact CB-CB 4.3Å; D293-E296 HydrophobicContact CB-CG 4.47Å; D293-E296 PolarHBondContact O-N 3.29Å; D293-E296 VanDerWaalsContact O-N 3.14Å; D293-V297 PolarHBondContact O-N 3.23Å; D293-V297 VanDerWaalsContact O-N 3.14Å
294E70.2Confident79.4Confident76 Ų7689.7 Ų89.736%0.35545%0.454SS..Hα-helixtrans-54.7-33.3179.7-69.4179.7170.200111.6C292 V297 L298 H314C292-E294 PolarHBondContact O-N 3.42Å; C292-E294 VanDerWaalsContact O-N 3.13Å; E294-V297 PolarHBondContact O-N 3.3Å; E294-L298 VanDerWaalsContact O-CB 3.29Å; E294-L298 WeakPolarHBondContact O-CB 3.5Å; E294-L298 WeakPolarHBondContact O-CG 3.29Å; E294-L298 PolarHBondContact O-N 2.76Å; E294-H314 IonicContact OE2-NE2 3.65Å
295K70.8Confident79.3Confident124 Ų12491.7 Ų91.754%0.53947%0.467SS..Hα-helixtrans-66-42.6179.6-68.8-177.5177.51770111.8D293 K299 Q340D293-K295 PolarHBondContact O-N 3.39Å; D293-K295 WeakPolarHBondContact OD1-CB 2.98Å; D293-K295 PolarHBondContact OD1-N 3.2Å; K295-K299 WeakPolarHBondContact O-CB 3.44Å; K295-K299 PolarHBondContact O-N 3.37Å; K295-K299 VanDerWaalsContact O-N 3.09Å; K295-Q340 VanDerWaalsContact NZ-NE2 3.13Å
296E76.6Confident79.2Confident111 Ų11193.3 Ų93.352%0.51947%0.473SS..Hα-helixtrans-71.7-37.8179.4-75.6-63.1126.200111.9D293 K299D293-E296 HydrophobicContact CB-CB 4.3Å; D293-E296 HydrophobicContact CB-CG 4.47Å; D293-E296 PolarHBondContact O-N 3.29Å; D293-E296 VanDerWaalsContact O-N 3.14Å; E296-K299 WeakPolarHBondContact O-CB 3.32Å; E296-K299 PolarHBondContact O-N 2.93Å; E296-K299 IonicContact OE1-NZ 2.99Å; E296-K299 PolarHBondContact OE1-NZ 2.96Å; E296-K299 IonicContact OE2-NZ 3.92Å
297V79.8Confident79Confident89 Ų8990.4 Ų90.454%0.53947%0.467SS..Hα-helixtrans-64.1-44.3175.9176.90000111.1D293 E294 K299D293-V297 PolarHBondContact O-N 3.23Å; D293-V297 VanDerWaalsContact O-N 3.14Å; E294-V297 PolarHBondContact O-N 3.3Å; V297-K299 VanDerWaalsContact C-N 3.33Å; V297-K299 PolarHBondContact O-N 3.48Å
298L79.5Confident79Confident41 Ų4190 Ų9022%0.21546%0.458CS..Hα-helixtrans-79-14-176.7-63.9176.5000113.4E294 T300 L301 K306 I309E294-L298 VanDerWaalsContact O-CB 3.29Å; E294-L298 WeakPolarHBondContact O-CB 3.5Å; E294-L298 WeakPolarHBondContact O-CG 3.29Å; E294-L298 PolarHBondContact O-N 2.76Å; L298-T300 PolarHBondContact O-N 3.38Å; L298-T300 VanDerWaalsContact O-N 3.14Å; L298-L301 HydrophobicContact CD2-CD1 3.75Å; L298-L301 PolarHBondContact O-N 3.21Å; L298-L301 VanDerWaalsContact O-N 3.11Å; L298-K306 HydrophobicContact CB-CD 4.41Å; L298-K306 HydrophobicContact CB-CG 4.28Å; L298-K306 WeakPolarHBondContact O-CD 3.49Å; L298-K306 WeakPolarHBondContact O-CE 3.36Å; L298-I309 HydrophobicContact CD2-CD1 4.04Å; L298-I309 HydrophobicContact CD2-CG2 4.22Å
299K83.3Confident79.2Confident131 Ų13188.9 Ų88.957%0.5745%0.454SS*.THydrogen-bonded Turntrans-55.2-33.7-176.2-169.3175.4-173.8170.90114.4K295 E296 V297K295-K299 WeakPolarHBondContact O-CB 3.44Å; K295-K299 PolarHBondContact O-N 3.37Å; K295-K299 VanDerWaalsContact O-N 3.09Å; E296-K299 WeakPolarHBondContact O-CB 3.32Å; E296-K299 PolarHBondContact O-N 2.93Å; E296-K299 IonicContact OE1-NZ 2.99Å; E296-K299 PolarHBondContact OE1-NZ 2.96Å; E296-K299 IonicContact OE2-NZ 3.92Å; V297-K299 VanDerWaalsContact C-N 3.33Å; V297-K299 PolarHBondContact O-N 3.48Å
300T85.1Confident79.2Confident123 Ų12380.9 Ų80.976%0.75542%0.421SS*.THydrogen-bonded Turntrans-80.8-15.6-176.158.40000113.9L298L298-T300 PolarHBondContact O-N 3.38Å; L298-T300 VanDerWaalsContact O-N 3.14Å
301L85.3Confident79.6Confident53 Ų5380.1 Ų80.128%0.27742%0.419SS..SBendtrans-81.9151.2-177.8-62.1175.6000110.9L298 L305 K306 I309L298-L301 HydrophobicContact CD2-CD1 3.75Å; L298-L301 PolarHBondContact O-N 3.21Å; L298-L301 VanDerWaalsContact O-N 3.11Å; L301-L305 HydrophobicContact CB-CB 4.42Å; L301-K306 HydrophobicContact CB-CG 3.89Å; L301-K306 WeakPolarHBondContact O-CE 3.36Å; L301-I309 HydrophobicContact CD1-CD1 3.48Å; L301-I309 VanDerWaalsContact CD1-CD1 3.48Å
302P89.1Confident80.4Confident81 Ų8184.2 Ų84.253%0.52644%0.439SS..  trans-60.5146.8164.2-20.932.1000111.4K304 L305 K306P302-K304 PolarHBondContact O-N 2.96Å; P302-K304 VanDerWaalsContact O-N 3.11Å; P302-L305 HydrophobicContact CG-CD1 4.49Å; P302-L305 PolarHBondContact O-N 2.99Å; P302-K306 PolarHBondContact O-N 3.15Å; P302-K306 VanDerWaalsContact O-N 3.12Å
303D82.9Confident81.1Confident118 Ų11883.7 Ų83.763%0.63143%0.433SS*.Hα-helixtrans-58.1-32.6-173.8-61.1-35.9000113.4L305 K306 A307D303-L305 PolarHBondContact O-N 3.41Å; D303-K306 PolarHBondContact O-N 3.12Å; D303-K306 WeakPolarHBondContact OD1-CE 3.42Å; D303-K306 IonicContact OD1-NZ 2.67Å; D303-K306 PolarHBondContact OD1-NZ 2.89Å; D303-A307 PolarHBondContact O-N 3Å
304K84.8Confident81.6Confident154 Ų15479.9 Ų79.967%0.6741%0.412SS*.Hα-helixtrans-59.1-44.6173.4-173.8176.8178.1-178.10112.6P302 A307 E308P302-K304 PolarHBondContact O-N 2.96Å; P302-K304 VanDerWaalsContact O-N 3.11Å; K304-A307 PolarHBondContact O-N 3.4Å; K304-E308 VanDerWaalsContact CE-OE1 3.25Å; K304-E308 WeakPolarHBondContact CE-OE1 3.41Å; K304-E308 WeakPolarHBondContact O-CG 3.4Å; K304-E308 PolarHBondContact O-N 3.05Å
305L86.6Confident82.2Confident78 Ų7877.6 Ų77.641%0.40840%0.402SS..Hα-helixtrans-72.8-34.4179-69.5-178.2000111.8L301 P302 D303 A307 E308 I309L301-L305 HydrophobicContact CB-CB 4.42Å; P302-L305 HydrophobicContact CG-CD1 4.49Å; P302-L305 PolarHBondContact O-N 2.99Å; D303-L305 PolarHBondContact O-N 3.41Å; L305-A307 VanDerWaalsContact C-N 3.33Å; L305-E308 PolarHBondContact O-N 3.48Å; L305-I309 VanDerWaalsContact O-CG1 3.31Å; L305-I309 WeakPolarHBondContact O-CG1 3.4Å; L305-I309 PolarHBondContact O-N 2.94Å
306K82.9Confident82.7Confident51 Ų5176.7 Ų76.722%0.22240%0.403CS..Hα-helixtrans-59.2-46.9172.6-61-176-152.5166.20110.9L298 L301 P302 D303 I309 A310L298-K306 HydrophobicContact CB-CD 4.41Å; L298-K306 HydrophobicContact CB-CG 4.28Å; L298-K306 WeakPolarHBondContact O-CD 3.49Å; L298-K306 WeakPolarHBondContact O-CE 3.36Å; L301-K306 HydrophobicContact CB-CG 3.89Å; L301-K306 WeakPolarHBondContact O-CE 3.36Å; P302-K306 PolarHBondContact O-N 3.15Å; P302-K306 VanDerWaalsContact O-N 3.12Å; D303-K306 PolarHBondContact O-N 3.12Å; D303-K306 WeakPolarHBondContact OD1-CE 3.42Å; D303-K306 IonicContact OD1-NZ 2.67Å; D303-K306 PolarHBondContact OD1-NZ 2.89Å; K306-I309 PolarHBondContact O-N 3.41Å; K306-A310 VanDerWaalsContact O-CB 3.29Å; K306-A310 WeakPolarHBondContact O-CB 3.48Å; K306-A310 PolarHBondContact O-N 3.31Å
307A80.8Confident82.9Confident20 Ų2072.4 Ų72.417%0.16539%0.385CS..Hα-helixtrans-60.5-48.6176.300000111.8D303 K304 L305 I309 A310 I311 L337D303-A307 PolarHBondContact O-N 3Å; K304-A307 PolarHBondContact O-N 3.4Å; L305-A307 VanDerWaalsContact C-N 3.33Å; A307-I309 VanDerWaalsContact C-N 3.33Å; A307-I309 PolarHBondContact O-N 3.03Å; A307-A310 PolarHBondContact O-N 3.38Å; A307-I311 WeakPolarHBondContact O-CB 3.38Å; A307-I311 WeakPolarHBondContact O-CD1 3.41Å; A307-I311 WeakPolarHBondContact O-CG1 3.34Å; A307-I311 PolarHBondContact O-N 3.09Å; A307-L337 HydrophobicContact CB-CD1 4.32Å; A307-L337 HydrophobicContact CB-CD2 4.44Å
308E85Confident83Confident91 Ų9168.3 Ų68.343%0.42536%0.36SS..Hα-helixtrans-59.5-40.7178.5-74.3177.5-159.500113K304 L305 N312K304-E308 VanDerWaalsContact CE-OE1 3.25Å; K304-E308 WeakPolarHBondContact CE-OE1 3.41Å; K304-E308 WeakPolarHBondContact O-CG 3.4Å; K304-E308 PolarHBondContact O-N 3.05Å; L305-E308 PolarHBondContact O-N 3.48Å; E308-N312 PolarHBondContact O-N 3.31Å; E308-N312 VanDerWaalsContact O-N 3.15Å; E308-N312 PolarHBondContact O-ND2 3.4Å; E308-N312 VanDerWaalsContact O-ND2 3.15Å
309I85.2Confident83.1Confident70 Ų7071.3 Ų71.336%0.35937%0.371SS..Hα-helixtrans-66.6-50.8175.9-68.2168.6000110.5L298 L301 L305 K306 A307 I311 N312 V313L298-I309 HydrophobicContact CD2-CD1 4.04Å; L298-I309 HydrophobicContact CD2-CG2 4.22Å; L301-I309 HydrophobicContact CD1-CD1 3.48Å; L301-I309 VanDerWaalsContact CD1-CD1 3.48Å; L305-I309 VanDerWaalsContact O-CG1 3.31Å; L305-I309 WeakPolarHBondContact O-CG1 3.4Å; L305-I309 PolarHBondContact O-N 2.94Å; K306-I309 PolarHBondContact O-N 3.41Å; A307-I309 VanDerWaalsContact C-N 3.33Å; A307-I309 PolarHBondContact O-N 3.03Å; I309-I311 VanDerWaalsContact C-N 3.27Å; I309-I311 PolarHBondContact O-N 3.35Å; I309-N312 PolarHBondContact O-N 2.89Å; I309-N312 VanDerWaalsContact O-N 3.1Å; I309-V313 HydrophobicContact CG2-CG2 4.2Å; I309-V313 WeakPolarHBondContact O-CG2 3.36Å; I309-V313 PolarHBondContact O-N 3.21Å
310A79.5Confident83Confident8 Ų871.7 Ų71.77%0.06637%0.373CS..Hα-helixtrans-60.1-40.7-176.900000111.1K306 A307 V313 H314 V336 L337K306-A310 VanDerWaalsContact O-CB 3.29Å; K306-A310 WeakPolarHBondContact O-CB 3.48Å; K306-A310 PolarHBondContact O-N 3.31Å; A307-A310 PolarHBondContact O-N 3.38Å; A310-V313 PolarHBondContact O-N 2.99Å; A310-H314 WeakPolarHBondContact O-CB 3.25Å; A310-H314 PolarHBondContact O-CD2 3.29Å; A310-H314 PolarHBondContact O-N 3.16Å; A310-V336 HydrophobicContact CB-CG1 3.4Å; A310-V336 VanDerWaalsContact CB-CG1 3.4Å; A310-V336 WeakPolarHBondContact O-CG1 3.34Å; A310-L337 HydrophobicContact CB-CD2 3.89Å
311I82.4Confident82.7Confident38 Ų3865.9 Ų65.920%0.19534%0.337CS..Hα-helixtrans-58.8-51.4174-68165.4000110.3A307 I309 V313 L315 I333A307-I311 WeakPolarHBondContact O-CB 3.38Å; A307-I311 WeakPolarHBondContact O-CD1 3.41Å; A307-I311 WeakPolarHBondContact O-CG1 3.34Å; A307-I311 PolarHBondContact O-N 3.09Å; I309-I311 VanDerWaalsContact C-N 3.27Å; I309-I311 PolarHBondContact O-N 3.35Å; I311-V313 PolarHBondContact O-N 2.73Å; I311-L315 HydrophobicContact CG2-CB 4.11Å; I311-L315 HydrophobicContact CG2-CD2 3.8Å; I311-L315 HydrophobicContact CG2-CG 4.46Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 PolarHBondContact O-N 3.39Å; I311-I333 HydrophobicContact CD1-CB 4.3Å; I311-I333 HydrophobicContact CD1-CD1 4.06Å; I311-I333 HydrophobicContact CD1-CG1 3.72Å; I311-I333 HydrophobicContact CD1-CG2 3.73Å; I311-I333 HydrophobicContact CG1-CB 4.42Å; I311-I333 HydrophobicContact CG1-CG1 3.94Å; I311-I333 HydrophobicContact CG1-CG2 4.09Å
312N83.1Confident82.2Confident134 Ų13472.2 Ų72.272%0.71736%0.357SS*.Hα-helixtrans-63.4-29.5-179-81.2-41.6000113.5E308 I309E308-N312 PolarHBondContact O-N 3.31Å; E308-N312 VanDerWaalsContact O-N 3.15Å; E308-N312 PolarHBondContact O-ND2 3.4Å; E308-N312 VanDerWaalsContact O-ND2 3.15Å; I309-N312 PolarHBondContact O-N 2.89Å; I309-N312 VanDerWaalsContact O-N 3.1Å
313V80.1Confident81.5Confident73 Ų7368.7 Ų68.744%0.44233%0.334SS..Hα-helixtrans-85.7-40.3-177.9178.20000112.3I309 A310 I311I309-V313 HydrophobicContact CG2-CG2 4.2Å; I309-V313 WeakPolarHBondContact O-CG2 3.36Å; I309-V313 PolarHBondContact O-N 3.21Å; A310-V313 PolarHBondContact O-N 2.99Å; I311-V313 PolarHBondContact O-N 2.73Å
314H81.1Confident81.2Confident13 Ų1363.1 Ų63.16%0.0630%0.304CS..Hα-helixtrans-112.2-17.5-167.2-56.6-62000114.8E294 A310 D316 T317 L318 V336 F418E294-H314 IonicContact OE2-NE2 3.65Å; A310-H314 WeakPolarHBondContact O-CB 3.25Å; A310-H314 PolarHBondContact O-CD2 3.29Å; A310-H314 PolarHBondContact O-N 3.16Å; H314-D316 VanDerWaalsContact C-N 3.31Å; H314-D316 PolarHBondContact O-N 3.49Å; H314-T317 PolarHBondContact O-N 3.4Å; H314-T317 VanDerWaalsContact O-N 3.16Å; H314-L318 PolarHBondContact O-N 2.98Å; H314-V336 HydrophobicContact CB-CG1 4.06Å; H314-V336 HydrophobicContact CB-CG2 4.03Å; H314-F418 AromaticContact CE1-CE1 3.56Å; H314-F418 AromaticContact CE1-CZ 3.42Å; H314-F418 VanDerWaalsContact CE1-CZ 3.42Å; H314-F418 WeakPolarHBondContact CE1-CZ 3.38Å; H314-F418 AromaticContact ND1-CE1 3.59Å; H314-F418 AromaticContact ND1-CE2 3.82Å; H314-F418 AromaticContact ND1-CZ 3.08Å; H314-F418 WeakPolarHBondContact ND1-CZ 3.32Å
315L82.4Confident80.8Confident29 Ų2960.9 Ų60.915%0.15230%0.296CS..Hα-helixtrans-61.8-38.7-174.3-175.768.3000112.1I311 T317 L318 K319 L332I311-L315 HydrophobicContact CG2-CB 4.11Å; I311-L315 HydrophobicContact CG2-CD2 3.8Å; I311-L315 HydrophobicContact CG2-CG 4.46Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 PolarHBondContact O-N 3.39Å; L315-T317 VanDerWaalsContact C-N 3.33Å; L315-T317 PolarHBondContact O-N 3.4Å; L315-L318 PolarHBondContact O-N 3.33Å; L315-K319 HydrophobicContact CD1-CG 4.44Å; L315-K319 HydrophobicContact CG-CD 4.14Å; L315-K319 HydrophobicContact CG-CG 4.34Å; L315-K319 WeakPolarHBondContact O-CB 3.41Å; L315-K319 WeakPolarHBondContact O-CG 3.37Å; L315-K319 PolarHBondContact O-N 2.95Å; L315-L332 HydrophobicContact CD1-CB 3.8Å; L315-L332 HydrophobicContact CD1-CD1 4Å
316D82.4Confident80.3Confident104 Ų10464.4 Ų64.456%0.55632%0.315SS*.Hα-helixtrans-66.2-35.5179.1-75.4-14.5000112.4H314 K320H314-D316 VanDerWaalsContact C-N 3.31Å; H314-D316 PolarHBondContact O-N 3.49Å; D316-K320 VanDerWaalsContact O-CG 3.3Å; D316-K320 WeakPolarHBondContact O-CG 3.4Å; D316-K320 PolarHBondContact O-N 2.88Å
317T80.2Confident80.2Confident22 Ų2263 Ų6314%0.13531%0.311CS..Hα-helixtrans-67.1-46.3173.7-56.70000110.3H314 L315 K319 K320 V321 K364 F418H314-T317 PolarHBondContact O-N 3.4Å; H314-T317 VanDerWaalsContact O-N 3.16Å; L315-T317 VanDerWaalsContact C-N 3.33Å; L315-T317 PolarHBondContact O-N 3.4Å; T317-K319 PolarHBondContact O-N 3.36Å; T317-K320 WeakPolarHBondContact O-CB 3.28Å; T317-K320 PolarHBondContact O-N 3.17Å; T317-V321 WeakPolarHBondContact O-CG2 3.25Å; T317-K364 HydrophobicContact CG2-CB 4.38Å; T317-K364 HydrophobicContact CG2-CG 4.3Å; T317-F418 HydrophobicContact CG2-CD2 4.4Å; T317-F418 HydrophobicContact CG2-CE2 4.22Å
318L82.1Confident80.3Confident2 Ų268.2 Ų68.21%0.0133%0.333CS..Hα-helixtrans-64.2-39.4179.5-96.5161.3000113H314 L315 K320 V321 F324 V336 L339 I362H314-L318 PolarHBondContact O-N 2.98Å; L315-L318 PolarHBondContact O-N 3.33Å; L318-K320 PolarHBondContact O-N 3.43Å; L318-V321 VanDerWaalsContact O-CB 3.29Å; L318-V321 WeakPolarHBondContact O-CB 3.21Å; L318-V321 WeakPolarHBondContact O-CG2 3.48Å; L318-V321 PolarHBondContact O-N 3.11Å; L318-F324 HydrophobicContact CD2-CD2 3.45Å; L318-F324 VanDerWaalsContact CD2-CD2 3.45Å; L318-F324 HydrophobicContact CD2-CE2 3.82Å; L318-F324 HydrophobicContact CD2-CG 4.14Å; L318-V336 HydrophobicContact CD1-CB 4.25Å; L318-V336 HydrophobicContact CD1-CG2 3.29Å; L318-L339 HydrophobicContact CD1-CD1 3.63Å; L318-L339 HydrophobicContact CG-CD1 4.1Å; L318-I362 HydrophobicContact CD2-CD1 3.84Å
319K82.1Confident80.2Confident104 Ų10467.1 Ų67.145%0.45234%0.339SS..Hα-helixtrans-64.1-26174.9-78.4179.4175.7175.40113.6L315 T317 V321 Q325 L332L315-K319 HydrophobicContact CD1-CG 4.44Å; L315-K319 HydrophobicContact CG-CD 4.14Å; L315-K319 HydrophobicContact CG-CG 4.34Å; L315-K319 WeakPolarHBondContact O-CB 3.41Å; L315-K319 WeakPolarHBondContact O-CG 3.37Å; L315-K319 PolarHBondContact O-N 2.95Å; T317-K319 PolarHBondContact O-N 3.36Å; K319-V321 VanDerWaalsContact C-N 3.26Å; K319-Q325 WeakPolarHBondContact O-CG 3.47Å; K319-Q325 PolarHBondContact O-NE2 2.92Å; K319-L332 HydrophobicContact CG-CD1 4.22Å
320K79.8Confident80.1Confident140 Ų14065.2 Ų65.261%0.60934%0.336SS*.Hα-helixtrans-73.7-21.2174.3-70.7169.1-173.9178.90112.1D316 T317 L318 R322D316-K320 VanDerWaalsContact O-CG 3.3Å; D316-K320 WeakPolarHBondContact O-CG 3.4Å; D316-K320 PolarHBondContact O-N 2.88Å; T317-K320 WeakPolarHBondContact O-CB 3.28Å; T317-K320 PolarHBondContact O-N 3.17Å; L318-K320 PolarHBondContact O-N 3.43Å; K320-R322 PolarHBondContact O-N 2.89Å
321V79.9Confident80.3Confident0 Ų064.8 Ų64.80%033%0.333CS..SBendtrans-73.8115-179.4-168.30000109.4T317 L318 K319 I323 F324 Q325 I362 Y387T317-V321 WeakPolarHBondContact O-CG2 3.25Å; L318-V321 VanDerWaalsContact O-CB 3.29Å; L318-V321 WeakPolarHBondContact O-CB 3.21Å; L318-V321 WeakPolarHBondContact O-CG2 3.48Å; L318-V321 PolarHBondContact O-N 3.11Å; K319-V321 VanDerWaalsContact C-N 3.26Å; V321-I323 HydrophobicContact CG1-CG2 3.77Å; V321-I323 PolarHBondContact O-N 2.83Å; V321-F324 HydrophobicContact CB-CB 4.5Å; V321-F324 HydrophobicContact CB-CD2 3.89Å; V321-F324 HydrophobicContact CG1-CD2 3.84Å; V321-F324 HydrophobicContact CG1-CE2 4.33Å; V321-F324 HydrophobicContact CG2-CD2 4.44Å; V321-F324 PolarHBondContact O-N 2.95Å; V321-Q325 PolarHBondContact O-N 3.4Å; V321-I362 HydrophobicContact CG2-CG2 3.48Å; V321-I362 VanDerWaalsContact CG2-CG2 3.48Å; V321-Y387 HydrophobicContact CG1-CD1 3.26Å; V321-Y387 HydrophobicContact CG1-CE1 3.99Å; V321-Y387 HydrophobicContact CG1-CG 3.82Å
322R73.4Confident80.5Confident187 Ų18763.4 Ų63.471%0.70633%0.326SS*.THydrogen-bonded Turntrans-55.4-20.3-175.6-67.5-175.3-179.4-176.7-0.1115.3K320 K442K320-R322 PolarHBondContact O-N 2.89Å; R322-K442 PolarHBondContact O-NZ 2.94Å
323I74.3Confident80.4Confident6 Ų660 Ų603%0.03131%0.307CS..THydrogen-bonded Turntrans-83.3-23.2178.7-157.9156000113V321 Y387 L439 K442V321-I323 HydrophobicContact CG1-CG2 3.77Å; V321-I323 PolarHBondContact O-N 2.83Å; I323-Y387 HydrophobicContact CB-CE1 3.82Å; I323-Y387 HydrophobicContact CB-CE2 4.24Å; I323-Y387 HydrophobicContact CD1-CE2 3.74Å; I323-Y387 WeakPolarHBondContact CD1-OH 3.29Å; I323-Y387 HydrophobicContact CG2-CD1 4.28Å; I323-Y387 HydrophobicContact CG2-CD2 4.48Å; I323-Y387 HydrophobicContact CG2-CE1 4.01Å; I323-Y387 HydrophobicContact CG2-CE2 4.26Å; I323-Y387 HydrophobicContact CG2-CG 4.5Å; I323-L439 HydrophobicContact CD1-CB 4.4Å; I323-L439 HydrophobicContact CD1-CD2 3.25Å; I323-L439 HydrophobicContact CD1-CG 3.57Å; I323-L439 HydrophobicContact CG1-CD2 3.97Å; I323-L439 HydrophobicContact CG1-CG 3.83Å; I323-K442 HydrophobicContact CD1-CD 4.13Å; I323-K442 HydrophobicContact CG1-CD 4.08Å
324F77.3Confident80.6Confident1 Ų158.4 Ų58.40%0.00430%0.295CS..THydrogen-bonded Turntrans-106.7-0.1-176-64.2-50.3000112.8L318 V321 C327 L332 L335 M360 I362 L439L318-F324 HydrophobicContact CD2-CD2 3.45Å; L318-F324 VanDerWaalsContact CD2-CD2 3.45Å; L318-F324 HydrophobicContact CD2-CE2 3.82Å; L318-F324 HydrophobicContact CD2-CG 4.14Å; V321-F324 HydrophobicContact CB-CB 4.5Å; V321-F324 HydrophobicContact CB-CD2 3.89Å; V321-F324 HydrophobicContact CG1-CD2 3.84Å; V321-F324 HydrophobicContact CG1-CE2 4.33Å; V321-F324 HydrophobicContact CG2-CD2 4.44Å; V321-F324 PolarHBondContact O-N 2.95Å; F324-C327 PolarHBondContact O-N 3.4Å; F324-L332 HydrophobicContact CB-CD2 3.68Å; F324-L332 HydrophobicContact CG-CD2 4.31Å; F324-L335 HydrophobicContact CD1-CD1 4.04Å; F324-L335 HydrophobicContact CE1-CD1 3.57Å; F324-L335 HydrophobicContact CZ-CD1 3.88Å; F324-M360 HydrophobicContact CE2-CE 4.29Å; F324-M360 HydrophobicContact CZ-CE 4.24Å; F324-I362 HydrophobicContact CE2-CD1 3.98Å; F324-L439 HydrophobicContact CE1-CD1 4.32Å
325Q76.4Confident80.9Confident108 Ų10857.8 Ų57.851%0.50529%0.292SS..THydrogen-bonded Turntrans-63.3-39.9177.9-82.6177.4-13.300113.3K319 V321 C327K319-Q325 WeakPolarHBondContact O-CG 3.47Å; K319-Q325 PolarHBondContact O-NE2 2.92Å; V321-Q325 PolarHBondContact O-N 3.4Å; Q325-C327 VanDerWaalsContact C-N 3.34Å
326D76.2Confident81Confident151 Ų15156.6 Ų56.681%0.80729%0.286SS*.THydrogen-bonded Turntrans-95.89.1-178.1-53.9-48.4000112.3
327C80.3Confident80.9Confident21 Ų2156.2 Ų56.214%0.14228%0.283CS..SBendtrans-85.4150.2178.8-71.20000111.6F324 Q325 L331 L332F324-C327 PolarHBondContact O-N 3.4Å; Q325-C327 VanDerWaalsContact C-N 3.34Å; C327-L331 HydrophobicContact CB-CD2 3.99Å; C327-L332 HydrophobicContact CB-CD2 4.29Å
328E83.9Confident81.2Confident131 Ų13156.9 Ų56.961%0.61228%0.284SS*.  trans-62146.5173.6-63.4-175174.400111.6G330 L331 L332 Y432E328-G330 PolarHBondContact O-N 3.34Å; E328-L331 PolarHBondContact O-N 3.08Å; E328-L332 PolarHBondContact O-N 3.23Å; E328-Y432 HydrophobicContact CB-CD1 4.47Å; E328-Y432 HydrophobicContact CB-CE1 4.39Å
329A81.6Confident81.4Confident67 Ų6757.6 Ų57.655%0.55429%0.288SS*.Hα-helixtrans-60.1-30.1-179.200000112.9L332 I333A329-L332 PolarHBondContact O-N 2.95Å; A329-I333 VanDerWaalsContact O-CG1 3.26Å; A329-I333 WeakPolarHBondContact O-CG1 3.49Å; A329-I333 PolarHBondContact O-N 2.91Å; A329-I333 VanDerWaalsContact O-N 3.08Å
330G83.3Confident81.6Confident30 Ų3056 Ų5631%0.30928%0.282SS..Hα-helixtrans-58.6-47.5176.200000112.5E328 L332 I333 E334 Y432E328-G330 PolarHBondContact O-N 3.34Å; G330-L332 VanDerWaalsContact C-N 3.34Å; G330-L332 PolarHBondContact O-N 2.9Å; G330-I333 PolarHBondContact O-N 2.75Å; G330-E334 PolarHBondContact O-N 3.42Å; G330-E334 VanDerWaalsContact O-N 3.11Å; G330-Y432 WeakPolarHBondContact CA-OH 3.21Å
331L85.1Confident81.9Confident0 Ų052.9 Ų52.90%028%0.276CS..Hα-helixtrans-60.8-43.8176.4177.162.7000111.4C327 E328 I333 E334 L335 A428 L429 Y432 A435C327-L331 HydrophobicContact CB-CD2 3.99Å; E328-L331 PolarHBondContact O-N 3.08Å; L331-I333 VanDerWaalsContact C-N 3.3Å; L331-I333 PolarHBondContact O-N 3.2Å; L331-E334 PolarHBondContact O-N 3.12Å; L331-L335 HydrophobicContact CD1-CD1 3.97Å; L331-L335 HydrophobicContact CD1-CD2 4.35Å; L331-L335 HydrophobicContact CD1-CG 3.9Å; L331-L335 HydrophobicContact CD2-CD1 4.45Å; L331-L335 HydrophobicContact CG-CD1 3.88Å; L331-L335 HydrophobicContact CG-CG 4.19Å; L331-L335 WeakPolarHBondContact O-CB 3.34Å; L331-L335 VanDerWaalsContact O-CG 3.26Å; L331-L335 WeakPolarHBondContact O-CG 3.29Å; L331-L335 PolarHBondContact O-N 2.74Å; L331-A428 HydrophobicContact CD1-CB 3.86Å; L331-L429 HydrophobicContact CD2-CD2 4.43Å; L331-Y432 HydrophobicContact CB-CD1 3.99Å; L331-Y432 HydrophobicContact CB-CD2 3.77Å; L331-Y432 HydrophobicContact CB-CE1 4.15Å; L331-Y432 HydrophobicContact CB-CE2 3.96Å; L331-Y432 HydrophobicContact CB-CG 3.8Å; L331-Y432 HydrophobicContact CD1-CD2 3.6Å; L331-Y432 HydrophobicContact CD1-CE2 4.19Å; L331-Y432 HydrophobicContact CD1-CG 4.12Å; L331-Y432 HydrophobicContact CD2-CG 4.47Å; L331-Y432 HydrophobicContact CG-CD2 4.2Å; L331-Y432 HydrophobicContact CG-CG 4.34Å; L331-Y432 PolarHBondContact N-OH 2.98Å; L331-A435 HydrophobicContact CD2-CB 3.38Å
332L85.2Confident82.4Confident8 Ų855.2 Ų55.24%0.04229%0.287CS..Hα-helixtrans-60.6-42.4-180-58.9-178.3000111.6L315 K319 F324 C327 E328 A329 G330 L335 V336L315-L332 HydrophobicContact CD1-CB 3.8Å; L315-L332 HydrophobicContact CD1-CD1 4Å; K319-L332 HydrophobicContact CG-CD1 4.22Å; F324-L332 HydrophobicContact CB-CD2 3.68Å; F324-L332 HydrophobicContact CG-CD2 4.31Å; C327-L332 HydrophobicContact CB-CD2 4.29Å; E328-L332 PolarHBondContact O-N 3.23Å; A329-L332 PolarHBondContact O-N 2.95Å; G330-L332 VanDerWaalsContact C-N 3.34Å; G330-L332 PolarHBondContact O-N 2.9Å; L332-L335 PolarHBondContact O-N 2.92Å; L332-V336 WeakPolarHBondContact O-CB 3.37Å; L332-V336 WeakPolarHBondContact O-CG2 3.3Å; L332-V336 PolarHBondContact O-N 2.85Å
333I82.1Confident83.2Confident64 Ų6447.9 Ų47.933%0.32826%0.263SS..Hα-helixtrans-63.4-43.5178.8-67.1165.8000110.8I311 A329 G330 L331 L337I311-I333 HydrophobicContact CD1-CB 4.3Å; I311-I333 HydrophobicContact CD1-CD1 4.06Å; I311-I333 HydrophobicContact CD1-CG1 3.72Å; I311-I333 HydrophobicContact CD1-CG2 3.73Å; I311-I333 HydrophobicContact CG1-CB 4.42Å; I311-I333 HydrophobicContact CG1-CG1 3.94Å; I311-I333 HydrophobicContact CG1-CG2 4.09Å; A329-I333 VanDerWaalsContact O-CG1 3.26Å; A329-I333 WeakPolarHBondContact O-CG1 3.49Å; A329-I333 PolarHBondContact O-N 2.91Å; A329-I333 VanDerWaalsContact O-N 3.08Å; G330-I333 PolarHBondContact O-N 2.75Å; L331-I333 VanDerWaalsContact C-N 3.3Å; L331-I333 PolarHBondContact O-N 3.2Å; I333-L337 PolarHBondContact O-N 3.36Å
334E84.6Confident84Confident38 Ų3849 Ų4918%0.17827%0.268CS..Hα-helixtrans-65.5-44.1178.5-162.3-166.715300111.6G330 L331 V336 L337 K338 A428G330-E334 PolarHBondContact O-N 3.42Å; G330-E334 VanDerWaalsContact O-N 3.11Å; L331-E334 PolarHBondContact O-N 3.12Å; E334-V336 PolarHBondContact O-N 2.98Å; E334-L337 PolarHBondContact O-N 3.22Å; E334-K338 WeakPolarHBondContact OE1-CE 3.34Å; E334-K338 IonicContact OE1-NZ 3.82Å; E334-K338 PolarHBondContact OE1-NZ 2.78Å; E334-A428 WeakPolarHBondContact OE1-CA 3.46Å
335L86.2Confident84.7Confident1 Ų149.3 Ų49.31%0.00527%0.27CS..Hα-helixtrans-63.8-42.2178.5-69.9-179.3000112.1F324 L331 L332 L337 K338 L339 L420 L425 A428F324-L335 HydrophobicContact CD1-CD1 4.04Å; F324-L335 HydrophobicContact CE1-CD1 3.57Å; F324-L335 HydrophobicContact CZ-CD1 3.88Å; L331-L335 HydrophobicContact CD1-CD1 3.97Å; L331-L335 HydrophobicContact CD1-CD2 4.35Å; L331-L335 HydrophobicContact CD1-CG 3.9Å; L331-L335 HydrophobicContact CD2-CD1 4.45Å; L331-L335 HydrophobicContact CG-CD1 3.88Å; L331-L335 HydrophobicContact CG-CG 4.19Å; L331-L335 WeakPolarHBondContact O-CB 3.34Å; L331-L335 VanDerWaalsContact O-CG 3.26Å; L331-L335 WeakPolarHBondContact O-CG 3.29Å; L331-L335 PolarHBondContact O-N 2.74Å; L332-L335 PolarHBondContact O-N 2.92Å; L335-L337 PolarHBondContact O-N 2.57Å; L335-K338 PolarHBondContact O-N 2.95Å; L335-L339 WeakPolarHBondContact O-CG 3.4Å; L335-L339 PolarHBondContact O-N 3.38Å; L335-L339 VanDerWaalsContact O-N 3.13Å; L335-L420 HydrophobicContact CD2-CD1 4.34Å; L335-L420 HydrophobicContact CD2-CD2 3.8Å; L335-L425 HydrophobicContact CD2-CD1 4.04Å; L335-A428 HydrophobicContact CD2-CB 3.78Å
336V84.8Confident85.5Confident4 Ų447 Ų472%0.02426%0.264CS..Hα-helixtrans-51-41.8176.9158.10000111.6A310 H314 L318 L332 E334 K338A310-V336 HydrophobicContact CB-CG1 3.4Å; A310-V336 VanDerWaalsContact CB-CG1 3.4Å; A310-V336 WeakPolarHBondContact O-CG1 3.34Å; H314-V336 HydrophobicContact CB-CG1 4.06Å; H314-V336 HydrophobicContact CB-CG2 4.03Å; L318-V336 HydrophobicContact CD1-CB 4.25Å; L318-V336 HydrophobicContact CD1-CG2 3.29Å; L332-V336 WeakPolarHBondContact O-CB 3.37Å; L332-V336 WeakPolarHBondContact O-CG2 3.3Å; L332-V336 PolarHBondContact O-N 2.85Å; E334-V336 PolarHBondContact O-N 2.98Å; V336-K338 VanDerWaalsContact C-N 3.26Å; V336-K338 PolarHBondContact O-N 2.82Å
337L80.6Confident86.1Confident95 Ų9541.6 Ų41.650%0.49724%0.244SC..Hα-helixtrans-71.5-20.1-178.4-71.7173.7000113.6A307 A310 I333 E334 L335A307-L337 HydrophobicContact CB-CD1 4.32Å; A307-L337 HydrophobicContact CB-CD2 4.44Å; A310-L337 HydrophobicContact CB-CD2 3.89Å; I333-L337 PolarHBondContact O-N 3.36Å; E334-L337 PolarHBondContact O-N 3.22Å; L335-L337 PolarHBondContact O-N 2.57Å
338K86.1Confident86.6Confident36 Ų3641.7 Ų41.716%0.15724%0.244CC..Hα-helixtrans-101.2-8-178.3-57.6-173.7-167.5176.80113.2E334 L335 V336 L420 D424 E427E334-K338 WeakPolarHBondContact OE1-CE 3.34Å; E334-K338 IonicContact OE1-NZ 3.82Å; E334-K338 PolarHBondContact OE1-NZ 2.78Å; L335-K338 PolarHBondContact O-N 2.95Å; V336-K338 VanDerWaalsContact C-N 3.26Å; V336-K338 PolarHBondContact O-N 2.82Å; K338-L420 HydrophobicContact CB-CD1 3.96Å; K338-D424 HydrophobicContact CB-CB 4Å; K338-D424 HydrophobicContact CD-CB 3.6Å; K338-D424 HydrophobicContact CG-CB 4.34Å; K338-D424 PolarHBondContact NZ-O 3.43Å; K338-E427 IonicContact NZ-OE2 2.81Å; K338-E427 PolarHBondContact NZ-OE2 3.37Å
339L86Confident87Confident17 Ų1739.5 Ų39.59%0.08923%0.23CC..  trans-66.2136.1176.9-69-178.3000111.6L318 L335 I362 F418 L420L318-L339 HydrophobicContact CD1-CD1 3.63Å; L318-L339 HydrophobicContact CG-CD1 4.1Å; L335-L339 WeakPolarHBondContact O-CG 3.4Å; L335-L339 PolarHBondContact O-N 3.38Å; L335-L339 VanDerWaalsContact O-N 3.13Å; L339-I362 HydrophobicContact CD2-CD1 4.09Å; L339-F418 HydrophobicContact CB-CB 4.2Å; L339-F418 HydrophobicContact CB-CD1 4.01Å; L339-F418 HydrophobicContact CB-CG 4.28Å; L339-F418 HydrophobicContact CD1-CB 4.1Å; L339-F418 HydrophobicContact CD1-CD1 4.38Å; L339-F418 HydrophobicContact CD1-CD2 4.26Å; L339-F418 HydrophobicContact CD1-CG 4.01Å; L339-F418 HydrophobicContact CD2-CB 3.98Å; L339-F418 HydrophobicContact CG-CB 4.31Å; L339-L420 HydrophobicContact CD2-CB 4.05Å; L339-L420 HydrophobicContact CD2-CD1 4.33Å
340Q86.6Confident87.6Confident71 Ų7137.1 Ų37.133%0.33221%0.208SC..EExtended strand (participates in β ladder)trans-116.5119.9175.9-59.3-168.95.800110.5K295 F418 A419K295-Q340 VanDerWaalsContact NZ-NE2 3.13Å; Q340-F418 CarbonylContact O-C 3.24Å; Q340-F418 WeakPolarHBondContact O-CA 3.47Å; Q340-A419 PolarHBondContact N-O 2.83Å; Q340-A419 PolarHBondContact O-N 2.93Å
341P86.7Confident88Confident74 Ų7436 Ų3648%0.48120%0.196SC..EExtended strand (participates in β ladder)trans-68.2134.1176.426.7-32.1000111L417 F418P341-L417 CarbonylContact C-O 3.6Å; P341-F418 HydrophobicContact CB-CD1 4.28Å; P341-F418 HydrophobicContact CB-CE1 4.08Å
342Q89.5Confident88.2Confident50 Ų5041.1 Ų41.123%0.23422%0.218CC..EExtended strand (participates in β ladder)trans-135.1138.1174.9-65.7-171.314.700110.2F344 E359 L417 A419Q342-F344 HydrophobicContact CB-CE2 3.85Å; Q342-F344 HydrophobicContact CB-CZ 4.47Å; Q342-E359 PolarHBondContact NE2-OE2 3.05Å; Q342-L417 PolarHBondContact N-O 3.01Å; Q342-L417 PolarHBondContact O-N 3.25Å; Q342-A419 HydrophobicContact CG-CB 4.11Å
343V91Very high88.4Confident32 Ų3246 Ų4619%0.19424%0.239CC..EExtended strand (participates in β ladder)trans-116.4125.1-177.4-179.40000110.1W281 Y284 L285 K290 S415W281-V343 PolarHBondContact NE1-O 2.99Å; Y284-V343 HydrophobicContact CD1-CG1 3.96Å; Y284-V343 HydrophobicContact CE1-CG1 3.6Å; L285-V343 HydrophobicContact CD2-CB 4Å; L285-V343 HydrophobicContact CD2-CG1 4.08Å; L285-V343 HydrophobicContact CD2-CG2 3.88Å; K290-V343 HydrophobicContact CD-CG2 4.08Å; V343-S415 WeakPolarHBondContact CA-O 3.35Å
344F91.6Very high88.6Confident30 Ų3044.2 Ų44.213%0.13224%0.237CC..EExtended strand (participates in β ladder)trans-110.4142.9178.9-67.6-89.7000111.4Q342 D348 I350 Y414 S415 L417Q342-F344 HydrophobicContact CB-CE2 3.85Å; Q342-F344 HydrophobicContact CB-CZ 4.47Å; F344-D348 HydrophobicContact CB-CB 4.36Å; F344-D348 HydrophobicContact CD1-CB 4.31Å; F344-I350 HydrophobicContact CB-CG1 4.48Å; F344-I350 HydrophobicContact CD1-CD1 4.44Å; F344-I350 HydrophobicContact CD1-CG1 3.83Å; F344-I350 HydrophobicContact CD2-CG1 4.01Å; F344-I350 HydrophobicContact CE1-CB 4.29Å; F344-I350 HydrophobicContact CE1-CG1 4Å; F344-I350 HydrophobicContact CE1-CG2 4.15Å; F344-I350 HydrophobicContact CE2-CG1 4.19Å; F344-I350 HydrophobicContact CE2-CG2 4.21Å; F344-I350 HydrophobicContact CG-CD1 4.36Å; F344-I350 HydrophobicContact CG-CG1 3.83Å; F344-I350 HydrophobicContact CZ-CB 4.43Å; F344-I350 HydrophobicContact CZ-CG1 4.18Å; F344-I350 HydrophobicContact CZ-CG2 3.83Å; F344-Y414 WeakPolarHBondContact O-CA 3.35Å; F344-S415 PolarHBondContact N-O 3.32Å; F344-S415 PolarHBondContact O-N 3.18Å; F344-L417 HydrophobicContact CD2-CD1 3.58Å; F344-L417 HydrophobicContact CD2-CG 3.97Å; F344-L417 HydrophobicContact CE2-CB 4.38Å; F344-L417 HydrophobicContact CE2-CD1 3.61Å; F344-L417 HydrophobicContact CE2-CG 4.19Å
345S91.4Very high88.7Confident8 Ų846 Ų466%0.05625%0.248CC..  trans-84.5160.2177.9-490000111.7G347 D348 S411 G413S345-G347 PolarHBondContact O-N 2.9Å; S345-D348 WeakPolarHBondContact CA-OD2 3.48Å; S345-D348 VanDerWaalsContact CB-OD2 3.23Å; S345-D348 WeakPolarHBondContact CB-OD2 3.33Å; S345-D348 PolarHBondContact N-OD2 3.08Å; S345-D348 VanDerWaalsContact O-CB 3.24Å; S345-D348 WeakPolarHBondContact O-CB 3.49Å; S345-D348 VanDerWaalsContact O-CG 3.24Å; S345-D348 PolarHBondContact O-N 2.95Å; S345-D348 PolarHBondContact OG-OD2 3.43Å; S345-S411 WeakPolarHBondContact O-CB 3.13Å; S345-G413 CarbonylContact C-O 3.47Å
346P92.2Very high88.8Confident58 Ų5850.6 Ų50.638%0.37727%0.271SS..THydrogen-bonded Turntrans-54.4129.1172-21.729.1000112D348 G413 Y414P346-D348 VanDerWaalsContact C-N 3.31Å; P346-G413 WeakPolarHBondContact CA-O 3.39Å; P346-Y414 HydrophobicContact CG-CD2 3.93Å; P346-Y414 HydrophobicContact CG-CE2 3.94Å; P346-Y414 HydrophobicContact CG-CG 4.38Å
347G89.1Confident88.8Confident38 Ų3850.4 Ų50.439%0.39227%0.27SS..THydrogen-bonded Turntrans85.4-6.2-17900000115S345 R410 S411S345-G347 PolarHBondContact O-N 2.9Å; G347-R410 WeakPolarHBondContact O-CD 3.34Å; G347-R410 WeakPolarHBondContact O-CG 3.45Å; G347-S411 WeakPolarHBondContact CA-O 3.35Å; G347-S411 PolarHBondContact N-O 3.02Å
348D91.7Very high89.1Confident23 Ų2354.4 Ų54.412%0.12328%0.278CS..  trans-67.4135.3177.3-68.40.3000110.5R277 F344 S345 P346 R410 S411R277-D348 IonicContact CZ-OD1 3.71Å; R277-D348 IonicContact NE-OD1 3.77Å; R277-D348 IonicContact NH2-OD1 2.91Å; R277-D348 PolarHBondContact NH2-OD1 3.41Å; R277-D348 IonicContact NH2-OD2 3.14Å; F344-D348 HydrophobicContact CB-CB 4.36Å; F344-D348 HydrophobicContact CD1-CB 4.31Å; S345-D348 WeakPolarHBondContact CA-OD2 3.48Å; S345-D348 VanDerWaalsContact CB-OD2 3.23Å; S345-D348 WeakPolarHBondContact CB-OD2 3.33Å; S345-D348 PolarHBondContact N-OD2 3.08Å; S345-D348 VanDerWaalsContact O-CB 3.24Å; S345-D348 WeakPolarHBondContact O-CB 3.49Å; S345-D348 VanDerWaalsContact O-CG 3.24Å; S345-D348 PolarHBondContact O-N 2.95Å; S345-D348 PolarHBondContact OG-OD2 3.43Å; P346-D348 VanDerWaalsContact C-N 3.31Å; D348-R410 CarbonylContact O-C 3.4Å; D348-R410 VanDerWaalsContact O-CA 3.28Å; D348-R410 WeakPolarHBondContact O-CA 3.22Å; D348-R410 WeakPolarHBondContact O-CG 3.23Å; D348-S411 PolarHBondContact O-N 3.43Å
349Y92.1Very high89.4Confident85 Ų8555 Ų5533%0.33328%0.281SS..EExtended strand (participates in β ladder)trans-84.3117.8168.5-76.6-93.7000108.6K352 V371 N408 I409 R410Y349-K352 HydrophobicContact CD1-CG 4.03Å; Y349-K352 HydrophobicContact CG-CG 4.23Å; Y349-V371 HydrophobicContact CE1-CG2 3.66Å; Y349-N408 HydrophobicContact CD1-CB 4.36Å; Y349-N408 HydrophobicContact CE1-CB 4.1Å; Y349-I409 CarbonylContact C-O 3.51Å; Y349-I409 WeakPolarHBondContact CA-O 3.22Å; Y349-R410 HydrophobicContact CD1-CB 4.28Å; Y349-R410 HydrophobicContact CE1-CB 4.26Å; Y349-R410 HydrophobicContact CE2-CG 4.48Å
350I93.1Very high89.5Confident17 Ų1754.1 Ų54.19%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-74.3-41.4174.7-60.770.9000108.9F344 Y361 L368 F388 I409 L417F344-I350 HydrophobicContact CB-CG1 4.48Å; F344-I350 HydrophobicContact CD1-CD1 4.44Å; F344-I350 HydrophobicContact CD1-CG1 3.83Å; F344-I350 HydrophobicContact CD2-CG1 4.01Å; F344-I350 HydrophobicContact CE1-CB 4.29Å; F344-I350 HydrophobicContact CE1-CG1 4Å; F344-I350 HydrophobicContact CE1-CG2 4.15Å; F344-I350 HydrophobicContact CE2-CG1 4.19Å; F344-I350 HydrophobicContact CE2-CG2 4.21Å; F344-I350 HydrophobicContact CG-CD1 4.36Å; F344-I350 HydrophobicContact CG-CG1 3.83Å; F344-I350 HydrophobicContact CZ-CB 4.43Å; F344-I350 HydrophobicContact CZ-CG1 4.18Å; F344-I350 HydrophobicContact CZ-CG2 3.83Å; I350-Y361 HydrophobicContact CG2-CD2 3.89Å; I350-Y361 HydrophobicContact CG2-CE1 4.45Å; I350-Y361 HydrophobicContact CG2-CE2 3.74Å; I350-Y361 HydrophobicContact CG2-CG 4.3Å; I350-L368 HydrophobicContact CD1-CD2 3.8Å; I350-F388 HydrophobicContact CB-CE2 4.39Å; I350-F388 HydrophobicContact CB-CZ 4.21Å; I350-F388 HydrophobicContact CG1-CZ 4.47Å; I350-F388 HydrophobicContact CG2-CE2 3.89Å; I350-F388 HydrophobicContact CG2-CZ 3.77Å; I350-I409 HydrophobicContact CD1-CG2 4.43Å; I350-I409 PolarHBondContact N-O 3.06Å; I350-L417 HydrophobicContact CG1-CD1 3.85Å; I350-L417 HydrophobicContact CG2-CD1 4.15Å
351C91.3Very high89.8Confident8 Ų851.6 Ų51.65%0.05427%0.265CS..EExtended strand (participates in β ladder)trans-148.1148.1170.964.30000111R405 N408 I409C351-R405 HydrophobicContact CB-CG 3.94Å; C351-N408 WeakPolarHBondContact O-CA 3.13Å; C351-I409 PolarHBondContact O-N 2.94Å
352K90.8Very high90Very high106 Ų10648.1 Ų48.146%0.46124%0.242SC..  trans-107.5149.6169.8-61.6-179.9177.4-179.30110.4Y349 G354 D355 R405 N408Y349-K352 HydrophobicContact CD1-CG 4.03Å; Y349-K352 HydrophobicContact CG-CG 4.23Å; K352-G354 PolarHBondContact O-N 3.19Å; K352-D355 WeakPolarHBondContact CB-OD2 3.12Å; K352-D355 PolarHBondContact N-OD2 3.14Å; K352-D355 VanDerWaalsContact N-OD2 3.11Å; K352-D355 WeakPolarHBondContact O-CB 3.31Å; K352-D355 PolarHBondContact O-N 3Å; K352-D355 VanDerWaalsContact O-N 3.07Å; K352-R405 VanDerWaalsContact O-CB 3.27Å; K352-R405 WeakPolarHBondContact O-CB 3.35Å; K352-N408 WeakPolarHBondContact CA-OD1 3.18Å
353K88.6Confident90.1Very high110 Ų11045.8 Ų45.848%0.47823%0.231SC..THydrogen-bonded Turntrans-55.9129.4173.8-177.3-178.3178-173.90109.2D373 R405 N408K353-D373 WeakPolarHBondContact CD-OD1 3.31Å; K353-D373 IonicContact NZ-OD1 2.75Å; K353-D373 IonicContact NZ-OD2 2.94Å; K353-D373 PolarHBondContact NZ-OD2 3.17Å; K353-R405 WeakPolarHBondContact CA-O 3.45Å; K353-N408 WeakPolarHBondContact CB-OD1 3.41Å; K353-N408 PolarHBondContact N-OD1 3.34Å
354G85.8Confident89.9Confident28 Ų2848 Ų4829%0.28924%0.238SC..THydrogen-bonded Turntrans91.7-15.1-177.300000115.2K352 R404 R405K352-G354 PolarHBondContact O-N 3.19Å; G354-R404 WeakPolarHBondContact O-CD 3.42Å; G354-R404 WeakPolarHBondContact O-CG 3.22Å; G354-R404 PolarHBondContact O-NH1 3.28Å; G354-R405 PolarHBondContact N-O 3.41Å
355D88.4Confident89.8Confident76 Ų7651.5 Ų51.541%0.40626%0.255SS..SBendtrans-64.6155.2174.7-71.7-19.8000111.1K352 G357 R404 R405K352-D355 WeakPolarHBondContact CB-OD2 3.12Å; K352-D355 PolarHBondContact N-OD2 3.14Å; K352-D355 VanDerWaalsContact N-OD2 3.11Å; K352-D355 WeakPolarHBondContact O-CB 3.31Å; K352-D355 PolarHBondContact O-N 3Å; K352-D355 VanDerWaalsContact O-N 3.07Å; D355-G357 PolarHBondContact O-N 3.06Å; D355-R404 CarbonylContact O-C 3.56Å; D355-R404 WeakPolarHBondContact O-CA 3.29Å; D355-R405 HydrophobicContact CB-CG 4.16Å; D355-R405 WeakPolarHBondContact O-CG 3.48Å; D355-R405 PolarHBondContact O-N 3.41Å
356I87.4Confident89.8Confident97 Ų9751.9 Ų51.950%0.49726%0.26SS..BIsolated β-bridgetrans-75122.6176.1-59173.3000108.8R358I356-R358 HydrophobicContact CG2-CG 4.4Å
357G84.9Confident89.8Confident0 Ų055.2 Ų55.20%027%0.268CS..PPolyproline II helixtrans-82.8119.5176.100000111.9D355 N403D355-G357 PolarHBondContact O-N 3.06Å; G357-N403 PolarHBondContact N-O 3.18Å; G357-N403 PolarHBondContact O-OD1 3.37Å
358R87.7Confident90.1Very high178 Ų17853.4 Ų53.467%0.67225%0.25SC*.  trans-111.8-17175.4-64.1-175.6179.7-177.2-1.1113.7I356 K422I356-R358 HydrophobicContact CG2-CG 4.4Å; R358-K422 WeakPolarHBondContact O-CB 3.41Å; R358-K422 PolarHBondContact O-N 3.35Å
359E90.6Very high90.2Very high48 Ų4852.3 Ų52.322%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-138.5151-170.3-57.2176.2155.700109.1Q342 Y361 R405 L420Q342-E359 PolarHBondContact NE2-OE2 3.05Å; E359-Y361 HydrophobicContact CB-CE1 4.43Å; E359-Y361 HydrophobicContact CB-CE2 4.43Å; E359-Y361 PolarHBondContact OE2-OH 2.91Å; E359-R405 PolarHBondContact O-NH1 3.32Å; E359-R405 PolarHBondContact O-NH2 2.81Å; E359-L420 CarbonylContact C-O 3.59Å; E359-L420 WeakPolarHBondContact CA-O 3.49Å
360M89.6Confident90.2Very high0 Ų049.5 Ų49.50%024%0.235CC..EExtended strand (participates in β ladder)trans-101.2157.115960.9177.9-63.300109.7F324 I362 Y387 I393 A419 L420 L425F324-M360 HydrophobicContact CE2-CE 4.29Å; F324-M360 HydrophobicContact CZ-CE 4.24Å; M360-I362 HydrophobicContact CE-CG1 4.49Å; M360-Y387 HydrophobicContact CE-CD2 4.2Å; M360-I393 HydrophobicContact CB-CD1 3.58Å; M360-I393 HydrophobicContact CG-CD1 3.57Å; M360-I393 HydrophobicContact SD-CD1 3.74Å; M360-A419 WeakPolarHBondContact O-CA 3.3Å; M360-L420 HydrophobicContact CG-CB 3.83Å; M360-L420 HydrophobicContact CG-CD2 4.29Å; M360-L420 HydrophobicContact CG-CG 4.47Å; M360-L420 PolarHBondContact N-O 3.42Å; M360-L420 PolarHBondContact O-N 3.47Å; M360-L420 HydrophobicContact SD-CD2 4.01Å; M360-L425 HydrophobicContact SD-CD2 3.81Å
361Y91.8Very high90.2Very high18 Ų1848.8 Ų48.87%0.07123%0.232CC..EExtended strand (participates in β ladder)trans-123.3139.1-179.6-58.7-80.1000110.9I350 E359 Y387 F388 L417 F418 A419I350-Y361 HydrophobicContact CG2-CD2 3.89Å; I350-Y361 HydrophobicContact CG2-CE1 4.45Å; I350-Y361 HydrophobicContact CG2-CE2 3.74Å; I350-Y361 HydrophobicContact CG2-CG 4.3Å; E359-Y361 HydrophobicContact CB-CE1 4.43Å; E359-Y361 HydrophobicContact CB-CE2 4.43Å; E359-Y361 PolarHBondContact OE2-OH 2.91Å; Y361-Y387 CarbonylContact O-C 3.57Å; Y361-Y387 VanDerWaalsContact O-CA 3.23Å; Y361-Y387 WeakPolarHBondContact O-CA 3.39Å; Y361-Y387 WeakPolarHBondContact O-CB 3.27Å; Y361-F388 VanDerWaalsContact CB-CZ 3.46Å; Y361-F388 HydrophobicContact CD2-CD2 4.09Å; Y361-F388 AromaticContact CD2-CE2 3.39Å; Y361-F388 HydrophobicContact CD2-CE2 3.39Å; Y361-F388 AromaticContact CD2-CZ 3.69Å; Y361-F388 HydrophobicContact CD2-CZ 3.69Å; Y361-F388 HydrophobicContact CE2-CE2 4.27Å; Y361-F388 HydrophobicContact CG-CE1 4.41Å; Y361-F388 HydrophobicContact CG-CE2 4Å; Y361-F388 AromaticContact CG-CZ 3.81Å; Y361-F388 HydrophobicContact CG-CZ 3.81Å; Y361-F388 PolarHBondContact N-O 2.91Å; Y361-F388 PolarHBondContact O-N 3.28Å; Y361-L417 HydrophobicContact CD1-CB 4.34Å; Y361-L417 HydrophobicContact CD1-CD1 4.34Å; Y361-L417 HydrophobicContact CG-CD1 4.37Å; Y361-F418 CarbonylContact C-O 3.57Å; Y361-F418 VanDerWaalsContact CA-O 3.27Å; Y361-F418 WeakPolarHBondContact CA-O 3.29Å; Y361-A419 HydrophobicContact CD1-CB 3.8Å; Y361-A419 HydrophobicContact CE1-CB 3.61Å
362I91Very high90.1Very high1 Ų149.3 Ų49.31%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-113.8128.4173.4-58.2169.3000107.5L318 V321 F324 L339 M360 K364 L417 F418L318-I362 HydrophobicContact CD2-CD1 3.84Å; V321-I362 HydrophobicContact CG2-CG2 3.48Å; V321-I362 VanDerWaalsContact CG2-CG2 3.48Å; F324-I362 HydrophobicContact CE2-CD1 3.98Å; L339-I362 HydrophobicContact CD2-CD1 4.09Å; M360-I362 HydrophobicContact CE-CG1 4.49Å; I362-K364 PolarHBondContact O-N 3.41Å; I362-L417 CarbonylContact O-C 3.55Å; I362-L417 VanDerWaalsContact O-CA 3.28Å; I362-L417 WeakPolarHBondContact O-CA 3.4Å; I362-F418 HydrophobicContact CB-CB 4.35Å; I362-F418 PolarHBondContact N-O 3.38Å; I362-F418 PolarHBondContact O-N 2.76Å
363I91.6Very high89.8Confident0 Ų049.6 Ų49.60%024%0.243CC..EExtended strand (participates in β ladder)trans-80.5109.4179.9-51.3178.1000108.7L368 L382 G385 A386 F388 L417I363-L368 HydrophobicContact CD1-CB 4.3Å; I363-L368 HydrophobicContact CD1-CD1 3.64Å; I363-L368 HydrophobicContact CD1-CG 3.86Å; I363-L368 HydrophobicContact CG1-CD1 3.87Å; I363-L368 HydrophobicContact CG1-CG 4.4Å; I363-L382 HydrophobicContact CD1-CB 3.47Å; I363-L382 VanDerWaalsContact CD1-CB 3.47Å; I363-L382 HydrophobicContact CD1-CD1 4.48Å; I363-G385 PolarHBondContact O-N 3.49Å; I363-A386 WeakPolarHBondContact CB-O 3.17Å; I363-A386 HydrophobicContact CD1-CB 4.13Å; I363-A386 WeakPolarHBondContact CG1-O 3.3Å; I363-A386 PolarHBondContact N-O 3.43Å; I363-F388 HydrophobicContact CG1-CE1 4.27Å; I363-L417 HydrophobicContact CB-CD2 4.05Å; I363-L417 HydrophobicContact CG1-CD2 3.77Å; I363-L417 HydrophobicContact CG2-CD2 4.08Å
364K87.1Confident89.6Confident79 Ų7948.8 Ų48.834%0.34324%0.244SC..EExtended strand (participates in β ladder)trans-79.2-51.6173.6-176.5-168.2-175.3-178.60110T317 I362 D416 F418T317-K364 HydrophobicContact CG2-CB 4.38Å; T317-K364 HydrophobicContact CG2-CG 4.3Å; I362-K364 PolarHBondContact O-N 3.41Å; K364-D416 HydrophobicContact CB-CB 4.25Å; K364-D416 WeakPolarHBondContact CB-O 3.09Å; K364-D416 HydrophobicContact CD-CB 4.42Å; K364-D416 PolarHBondContact N-O 2.91Å; K364-F418 HydrophobicContact CB-CD2 4.05Å; K364-F418 HydrophobicContact CB-CE2 3.79Å; K364-F418 HydrophobicContact CD-CE2 3.61Å; K364-F418 HydrophobicContact CD-CZ 3.68Å; K364-F418 HydrophobicContact CG-CD2 4.5Å; K364-F418 HydrophobicContact CG-CE2 3.75Å; K364-F418 HydrophobicContact CG-CZ 4.34Å
365E88.9Confident89.1Confident104 Ų10448 Ų4849%0.48624%0.236SC..EExtended strand (participates in β ladder)trans-149.9132.3-178.2-172.7177.7176.400109.5D384 S415 D416E365-D384 WeakPolarHBondContact CA-OD1 3.42Å; E365-S415 CarbonylContact O-C 3.49Å; E365-S415 WeakPolarHBondContact O-CA 3.48Å; E365-D416 HydrophobicContact CB-CB 4.26Å; E365-D416 PolarHBondContact N-O 3.26Å; E365-D416 PolarHBondContact O-N 3.28Å
366G91.3Very high88.8Confident15 Ų1549.7 Ų49.716%0.15525%0.249CC..SBendtrans125.8-174.5173.700000113.4D384G366-D384 PolarHBondContact N-OD1 3.49Å; G366-D384 VanDerWaalsContact O-OD1 3.06Å
367K93.9Very high88.7Confident129 Ų12948.3 Ų48.356%0.56125%0.245SC*.  trans-131.5126.2-177.7-67.6-177.4-177177.50110V381 L382 V412K367-V381 HydrophobicContact CB-CG1 4.1Å; K367-V381 HydrophobicContact CD-CG1 4.5Å; K367-V381 HydrophobicContact CG-CG1 4.47Å; K367-L382 WeakPolarHBondContact CA-O 3.24Å; K367-V412 HydrophobicContact CB-CB 4.29Å; K367-V412 HydrophobicContact CB-CG2 4.48Å; K367-V412 WeakPolarHBondContact O-CB 3.24Å; K367-V412 PolarHBondContact O-N 3.41Å
368L95.1Very high88.8Confident0 Ų053.3 Ų53.30%027%0.268CS..EExtended strand (participates in β ladder)trans-112.8137.7176-54.2-175.6000109.4I350 I363 V381 L382 F388 I409 R410 S415 L417I350-L368 HydrophobicContact CD1-CD2 3.8Å; I363-L368 HydrophobicContact CD1-CB 4.3Å; I363-L368 HydrophobicContact CD1-CD1 3.64Å; I363-L368 HydrophobicContact CD1-CG 3.86Å; I363-L368 HydrophobicContact CG1-CD1 3.87Å; I363-L368 HydrophobicContact CG1-CG 4.4Å; L368-V381 CarbonylContact O-C 3.48Å; L368-V381 VanDerWaalsContact O-CA 3.28Å; L368-V381 WeakPolarHBondContact O-CA 3.42Å; L368-L382 HydrophobicContact CB-CB 4.38Å; L368-L382 PolarHBondContact N-O 2.92Å; L368-L382 PolarHBondContact O-N 3.39Å; L368-F388 HydrophobicContact CD1-CD1 4.1Å; L368-F388 HydrophobicContact CD1-CE1 3.2Å; L368-F388 HydrophobicContact CD1-CZ 3.64Å; L368-I409 HydrophobicContact CB-CG2 3.97Å; L368-I409 HydrophobicContact CD1-CG2 3.95Å; L368-R410 CarbonylContact C-O 3.59Å; L368-R410 WeakPolarHBondContact CA-O 3.26Å; L368-S415 WeakPolarHBondContact CD2-OG 3.23Å; L368-L417 HydrophobicContact CD1-CD1 4.1Å; L368-L417 HydrophobicContact CD1-CD2 3.96Å
369A93.6Very high88.6Confident0 Ų051.1 Ų51.10%026%0.264CS..EExtended strand (participates in β ladder)trans-105.7129.8173.600000109.9V371 Q378 R410 V412A369-V371 HydrophobicContact CB-CG1 4.15Å; A369-V371 PolarHBondContact O-N 2.96Å; A369-Q378 HydrophobicContact CB-CG 4.22Å; A369-R410 PolarHBondContact N-O 3Å; A369-R410 PolarHBondContact O-N 3.02Å; A369-V412 HydrophobicContact CB-CG2 3.76Å
370V92.6Very high88.5Confident25 Ų2552.8 Ų52.815%0.15228%0.277CS..EExtended strand (participates in β ladder)trans-79.1113.7165.9-173.50000107.2F379 V380 L382 A407 N408 I409V370-F379 HydrophobicContact CG1-CD2 4.37Å; V370-F379 PolarHBondContact O-N 3.32Å; V370-V380 HydrophobicContact CG2-CB 4.47Å; V370-V380 PolarHBondContact N-O 2.84Å; V370-L382 HydrophobicContact CG2-CD1 4.27Å; V370-L382 HydrophobicContact CG2-CG 4.37Å; V370-A407 HydrophobicContact CG1-CB 3.91Å; V370-N408 WeakPolarHBondContact CA-O 3.44Å; V370-I409 HydrophobicContact CG2-CG1 4.45Å
371V92.1Very high88.6Confident3 Ų356.3 Ų56.32%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-108.6147.2-173.5-61.40000111.7Y349 A369 T377 Q378 N408 R410Y349-V371 HydrophobicContact CE1-CG2 3.66Å; A369-V371 HydrophobicContact CB-CG1 4.15Å; A369-V371 PolarHBondContact O-N 2.96Å; V371-T377 CarbonylContact C-O 3.47Å; V371-T377 VanDerWaalsContact CA-O 3.32Å; V371-T377 WeakPolarHBondContact CA-O 3.48Å; V371-Q378 HydrophobicContact CG1-CG 4.31Å; V371-N408 HydrophobicContact CG2-CB 3.59Å; V371-N408 PolarHBondContact N-O 3.37Å; V371-N408 WeakPolarHBondContact O-CB 3.3Å; V371-N408 PolarHBondContact O-ND2 3.48Å; V371-R410 HydrophobicContact CG1-CB 4.33Å; V371-R410 HydrophobicContact CG2-CB 4.35Å
372A88.5Confident88.6Confident18 Ų1857.1 Ų57.115%0.14930%0.304CS..  trans-68.6172.7171.100000111.6D374 G375 T377 F379A372-D374 PolarHBondContact O-N 3.14Å; A372-D374 VanDerWaalsContact O-N 3.12Å; A372-G375 PolarHBondContact O-N 2.92Å; A372-T377 HydrophobicContact CB-CG2 4.46Å; A372-T377 PolarHBondContact N-O 2.95Å; A372-F379 HydrophobicContact CB-CD2 4.48Å; A372-F379 HydrophobicContact CB-CE2 3.51Å; A372-F379 HydrophobicContact CB-CZ 3.65Å
373D85.3Confident88.6Confident112 Ų11260.1 Ų60.160%0.59933%0.325SS*.THydrogen-bonded Turntrans-64.3-15.6-179-65.1-28.4000112.1K353 G375 N408K353-D373 WeakPolarHBondContact CD-OD1 3.31Å; K353-D373 IonicContact NZ-OD1 2.75Å; K353-D373 IonicContact NZ-OD2 2.94Å; K353-D373 PolarHBondContact NZ-OD2 3.17Å; D373-G375 VanDerWaalsContact C-N 3.33Å; D373-N408 PolarHBondContact OD1-ND2 3.16Å
374D83.6Confident88.4Confident93 Ų9364.6 Ų64.650%0.49735%0.349SS..THydrogen-bonded Turntrans-77.3-12.9172.269.35.1000114.2A372 V376 T377A372-D374 PolarHBondContact O-N 3.14Å; A372-D374 VanDerWaalsContact O-N 3.12Å; D374-V376 PolarHBondContact O-N 3.2Å; D374-V376 PolarHBondContact OD1-N 3.24Å; D374-T377 PolarHBondContact OD1-N 2.99Å; D374-T377 WeakPolarHBondContact OD2-CB 3.31Å; D374-T377 PolarHBondContact OD2-OG1 3.2Å
375G77.1Confident88.3Confident11 Ų1161.4 Ų61.411%0.11334%0.339CS..SBendtrans68.73.3-176.300000115.5A372 D373 R410A372-G375 PolarHBondContact O-N 2.92Å; D373-G375 VanDerWaalsContact C-N 3.33Å; G375-R410 PolarHBondContact O-NH1 2.88Å; G375-R410 PolarHBondContact O-NH2 3.31Å
376V80.8Confident88.2Confident112 Ų11257.7 Ų57.768%0.67933%0.326SS*.SBendtrans-112.7-46.7-176.6-179.20000110.8D374 Q378D374-V376 PolarHBondContact O-N 3.2Å; D374-V376 PolarHBondContact OD1-N 3.24Å; V376-Q378 PolarHBondContact O-N 3.16Å
377T85.1Confident88.1Confident69 Ų6958.9 Ų58.942%0.42333%0.326SS..  trans-71.7121.5-177-570000109.8V371 A372 D374V371-T377 CarbonylContact C-O 3.47Å; V371-T377 VanDerWaalsContact CA-O 3.32Å; V371-T377 WeakPolarHBondContact CA-O 3.48Å; A372-T377 HydrophobicContact CB-CG2 4.46Å; A372-T377 PolarHBondContact N-O 2.95Å; D374-T377 PolarHBondContact OD1-N 2.99Å; D374-T377 WeakPolarHBondContact OD2-CB 3.31Å; D374-T377 PolarHBondContact OD2-OG1 3.2Å
378Q86.8Confident87.9Confident104 Ų10453.2 Ų53.249%0.48630%0.301SS..EExtended strand (participates in β ladder)trans-101.4120.4179.1-60.6-178.522.200109.6A369 V371 V376A369-Q378 HydrophobicContact CB-CG 4.22Å; V371-Q378 HydrophobicContact CG1-CG 4.31Å; V376-Q378 PolarHBondContact O-N 3.16Å
379F83.8Confident87.5Confident133 Ų13353.8 Ų53.858%0.58331%0.307SS*.EExtended strand (participates in β ladder)trans-82.4-50.9178.5-65.6-67.4000111.9V370 A372V370-F379 HydrophobicContact CG1-CD2 4.37Å; V370-F379 PolarHBondContact O-N 3.32Å; A372-F379 HydrophobicContact CB-CD2 4.48Å; A372-F379 HydrophobicContact CB-CE2 3.51Å; A372-F379 HydrophobicContact CB-CZ 3.65Å
380V89.2Confident86.9Confident83 Ų8354.4 Ų54.450%0.50331%0.31SS..EExtended strand (participates in β ladder)trans-147.4143.3-174.6178.40000109.2V370 L382V370-V380 HydrophobicContact CG2-CB 4.47Å; V370-V380 PolarHBondContact N-O 2.84Å; V380-L382 HydrophobicContact CG1-CD2 4.18Å
381V91.9Very high86.2Confident73 Ų7353.9 Ų53.944%0.44231%0.306SS..EExtended strand (participates in β ladder)trans-103.3121169.3-178.40000108.9K367 L368K367-V381 HydrophobicContact CB-CG1 4.1Å; K367-V381 HydrophobicContact CD-CG1 4.5Å; K367-V381 HydrophobicContact CG-CG1 4.47Å; L368-V381 CarbonylContact O-C 3.48Å; L368-V381 VanDerWaalsContact O-CA 3.28Å; L368-V381 WeakPolarHBondContact O-CA 3.42Å
382L91.8Very high85.3Confident35 Ų3553.9 Ų53.918%0.18331%0.307CS..EExtended strand (participates in β ladder)trans-90.6132172.9-54.8175.6000108.8I363 K367 L368 V370 V380 A386 F388I363-L382 HydrophobicContact CD1-CB 3.47Å; I363-L382 VanDerWaalsContact CD1-CB 3.47Å; I363-L382 HydrophobicContact CD1-CD1 4.48Å; K367-L382 WeakPolarHBondContact CA-O 3.24Å; L368-L382 HydrophobicContact CB-CB 4.38Å; L368-L382 PolarHBondContact N-O 2.92Å; L368-L382 PolarHBondContact O-N 3.39Å; V370-L382 HydrophobicContact CG2-CD1 4.27Å; V370-L382 HydrophobicContact CG2-CG 4.37Å; V380-L382 HydrophobicContact CG1-CD2 4.18Å; L382-A386 HydrophobicContact CB-CB 4.13Å; L382-A386 HydrophobicContact CD2-CB 4.37Å; L382-F388 HydrophobicContact CD1-CB 4.36Å; L382-F388 HydrophobicContact CD1-CD1 4.24Å
383S90.8Very high84.8Confident64 Ų6453.1 Ų53.145%0.44830%0.3SS..  trans-114.9178.3178.361.40000111.2G385 A386S383-G385 PolarHBondContact O-N 2.74Å; S383-A386 WeakPolarHBondContact O-CB 3.49Å; S383-A386 PolarHBondContact O-N 2.94Å
384D88.2Confident84.3Confident95 Ų9548.4 Ų48.451%0.50827%0.274SS..THydrogen-bonded Turntrans-40.2132.7175.1-48.9-10.1000113.3E365 G366 A386E365-D384 WeakPolarHBondContact CA-OD1 3.42Å; G366-D384 PolarHBondContact N-OD1 3.49Å; G366-D384 VanDerWaalsContact O-OD1 3.06Å; D384-A386 VanDerWaalsContact C-N 3.28Å; D384-A386 PolarHBondContact O-N 3.5Å
385G83.3Confident83.6Confident12 Ų1246.3 Ų46.312%0.12428%0.275CS..THydrogen-bonded Turntrans83.5-9.9-177.700000115.1I363 S383I363-G385 PolarHBondContact O-N 3.49Å; S383-G385 PolarHBondContact O-N 2.74Å
386A88.3Confident83.3Confident26 Ų2646.5 Ų46.522%0.21527%0.273CS..  trans-76.3160.6167.700000111.2I363 L382 S383 D384I363-A386 WeakPolarHBondContact CB-O 3.17Å; I363-A386 HydrophobicContact CD1-CB 4.13Å; I363-A386 WeakPolarHBondContact CG1-O 3.3Å; I363-A386 PolarHBondContact N-O 3.43Å; L382-A386 HydrophobicContact CB-CB 4.13Å; L382-A386 HydrophobicContact CD2-CB 4.37Å; S383-A386 WeakPolarHBondContact O-CB 3.49Å; S383-A386 PolarHBondContact O-N 2.94Å; D384-A386 VanDerWaalsContact C-N 3.28Å; D384-A386 PolarHBondContact O-N 3.5Å
387Y89.2Confident82.5Confident39 Ų3945.5 Ų45.515%0.15326%0.26CS..EExtended strand (participates in β ladder)trans-138.2161.7178.865.6-82.4000109.5V321 I323 M360 Y361 E390V321-Y387 HydrophobicContact CG1-CD1 3.26Å; V321-Y387 HydrophobicContact CG1-CE1 3.99Å; V321-Y387 HydrophobicContact CG1-CG 3.82Å; I323-Y387 HydrophobicContact CB-CE1 3.82Å; I323-Y387 HydrophobicContact CB-CE2 4.24Å; I323-Y387 HydrophobicContact CD1-CE2 3.74Å; I323-Y387 WeakPolarHBondContact CD1-OH 3.29Å; I323-Y387 HydrophobicContact CG2-CD1 4.28Å; I323-Y387 HydrophobicContact CG2-CD2 4.48Å; I323-Y387 HydrophobicContact CG2-CE1 4.01Å; I323-Y387 HydrophobicContact CG2-CE2 4.26Å; I323-Y387 HydrophobicContact CG2-CG 4.5Å; M360-Y387 HydrophobicContact CE-CD2 4.2Å; Y361-Y387 CarbonylContact O-C 3.57Å; Y361-Y387 VanDerWaalsContact O-CA 3.23Å; Y361-Y387 WeakPolarHBondContact O-CA 3.39Å; Y361-Y387 WeakPolarHBondContact O-CB 3.27Å; Y387-E390 HydrophobicContact CD2-CB 4.47Å; Y387-E390 HydrophobicContact CD2-CG 4.49Å; Y387-E390 HydrophobicContact CE2-CB 4.31Å; Y387-E390 HydrophobicContact CE2-CG 3.96Å
388F89.1Confident81.4Confident10 Ų1042.9 Ų42.94%0.04425%0.247CC..EExtended strand (participates in β ladder)trans-157.6165176.263.8-85.1000112I350 Y361 I363 L368 L382 E390 I409 L417I350-F388 HydrophobicContact CB-CE2 4.39Å; I350-F388 HydrophobicContact CB-CZ 4.21Å; I350-F388 HydrophobicContact CG1-CZ 4.47Å; I350-F388 HydrophobicContact CG2-CE2 3.89Å; I350-F388 HydrophobicContact CG2-CZ 3.77Å; Y361-F388 VanDerWaalsContact CB-CZ 3.46Å; Y361-F388 HydrophobicContact CD2-CD2 4.09Å; Y361-F388 AromaticContact CD2-CE2 3.39Å; Y361-F388 HydrophobicContact CD2-CE2 3.39Å; Y361-F388 AromaticContact CD2-CZ 3.69Å; Y361-F388 HydrophobicContact CD2-CZ 3.69Å; Y361-F388 HydrophobicContact CE2-CE2 4.27Å; Y361-F388 HydrophobicContact CG-CE1 4.41Å; Y361-F388 HydrophobicContact CG-CE2 4Å; Y361-F388 AromaticContact CG-CZ 3.81Å; Y361-F388 HydrophobicContact CG-CZ 3.81Å; Y361-F388 PolarHBondContact N-O 2.91Å; Y361-F388 PolarHBondContact O-N 3.28Å; I363-F388 HydrophobicContact CG1-CE1 4.27Å; L368-F388 HydrophobicContact CD1-CD1 4.1Å; L368-F388 HydrophobicContact CD1-CE1 3.2Å; L368-F388 HydrophobicContact CD1-CZ 3.64Å; L382-F388 HydrophobicContact CD1-CB 4.36Å; L382-F388 HydrophobicContact CD1-CD1 4.24Å; F388-E390 VanDerWaalsContact C-OE2 3.25Å; F388-E390 VanDerWaalsContact CA-OE2 3.29Å; F388-E390 WeakPolarHBondContact CA-OE2 3.46Å; F388-I409 HydrophobicContact CB-CD1 3.9Å; F388-I409 HydrophobicContact CD1-CD1 4.39Å; F388-I409 HydrophobicContact CD2-CD1 3.17Å; F388-I409 HydrophobicContact CD2-CG1 4.49Å; F388-I409 HydrophobicContact CE2-CB 4.41Å; F388-I409 HydrophobicContact CE2-CD1 3.66Å; F388-I409 HydrophobicContact CE2-CG2 4.17Å; F388-I409 HydrophobicContact CG-CD1 3.57Å; F388-I409 HydrophobicContact CZ-CD1 4.45Å; F388-I409 HydrophobicContact CZ-CG2 4.11Å; F388-L417 HydrophobicContact CE1-CD1 4.25Å; F388-L417 HydrophobicContact CZ-CD1 3.99Å
389G86.8Confident80.7Confident13 Ų1338.9 Ų38.913%0.13423%0.23CC..  trans88.94.1177.400000114.3I391 S392 R405G389-I391 VanDerWaalsContact C-N 3.29Å; G389-I391 PolarHBondContact O-N 3.43Å; G389-S392 PolarHBondContact O-OG 3.22Å; G389-R405 PolarHBondContact O-NH1 3.05Å
390E79.8Confident79.9Confident13 Ų1339 Ų396%0.06123%0.231CC..Hα-helixtrans-60.1-36.3176.373.5-74.1-174.900112.3Y387 F388 S392 I393 L394 I446Y387-E390 HydrophobicContact CD2-CB 4.47Å; Y387-E390 HydrophobicContact CD2-CG 4.49Å; Y387-E390 HydrophobicContact CE2-CB 4.31Å; Y387-E390 HydrophobicContact CE2-CG 3.96Å; F388-E390 VanDerWaalsContact C-OE2 3.25Å; F388-E390 VanDerWaalsContact CA-OE2 3.29Å; F388-E390 WeakPolarHBondContact CA-OE2 3.46Å; E390-S392 PolarHBondContact O-N 3Å; E390-I393 VanDerWaalsContact O-CG1 3.24Å; E390-I393 WeakPolarHBondContact O-CG1 3.21Å; E390-I393 PolarHBondContact O-N 3.03Å; E390-L394 HydrophobicContact CB-CD1 4.33Å; E390-L394 WeakPolarHBondContact O-CD1 3.35Å; E390-L394 WeakPolarHBondContact O-CG 3.23Å; E390-L394 PolarHBondContact O-N 3.42Å; E390-I446 VanDerWaalsContact OE1-CD1 3.23Å; E390-I446 WeakPolarHBondContact OE1-CD1 3.4Å
391I78.4Confident78.8Confident13 Ų1336.1 Ų36.17%0.06722%0.216CC..Hα-helixtrans-64-45.2-175-61.1169.8000111.5G389 I393 I446 L447G389-I391 VanDerWaalsContact C-N 3.29Å; G389-I391 PolarHBondContact O-N 3.43Å; I391-I393 VanDerWaalsContact C-N 3.31Å; I391-I393 PolarHBondContact O-N 3.03Å; I391-I446 HydrophobicContact CD1-CB 4.11Å; I391-I446 HydrophobicContact CD1-CG2 3.64Å; I391-L447 HydrophobicContact CG2-CD1 3.96Å; I391-L447 HydrophobicContact CG2-CD2 3.69Å; I391-L447 HydrophobicContact CG2-CG 3.82Å
392S74.6Confident78Confident4 Ų434.4 Ų34.43%0.02821%0.212CC..Hα-helixtrans-66.4-33.3-177.436.40000112.7G389 E390 N403 R405G389-S392 PolarHBondContact O-OG 3.22Å; E390-S392 PolarHBondContact O-N 3Å; S392-N403 PolarHBondContact O-OD1 2.9Å; S392-R405 PolarHBondContact OG-NH1 3.41Å
393I77.8Confident77.4Confident2 Ų235.7 Ų35.71%0.0122%0.219CC..Hα-helixtrans-86-27.8-174.262.7175000113.3M360 E390 I391 G395 K422 L425M360-I393 HydrophobicContact CB-CD1 3.58Å; M360-I393 HydrophobicContact CG-CD1 3.57Å; M360-I393 HydrophobicContact SD-CD1 3.74Å; E390-I393 VanDerWaalsContact O-CG1 3.24Å; E390-I393 WeakPolarHBondContact O-CG1 3.21Å; E390-I393 PolarHBondContact O-N 3.03Å; I391-I393 VanDerWaalsContact C-N 3.31Å; I391-I393 PolarHBondContact O-N 3.03Å; I393-G395 VanDerWaalsContact C-N 3.29Å; I393-G395 PolarHBondContact O-N 2.69Å; I393-K422 HydrophobicContact CB-CB 4.09Å; I393-K422 HydrophobicContact CB-CD 4.5Å; I393-K422 HydrophobicContact CB-CG 4.07Å; I393-K422 HydrophobicContact CG2-CB 3.99Å; I393-K422 HydrophobicContact CG2-CG 4.45Å; I393-K422 WeakPolarHBondContact O-CE 3.24Å; I393-L425 HydrophobicContact CD1-CD2 3.29Å; I393-L425 HydrophobicContact CG1-CD2 4.14Å
394L73.8Confident77.2Confident12 Ų1239.3 Ų39.36%0.06322%0.223CC..THydrogen-bonded Turntrans-75.9-9-176.5-70.9167.5000114.5E390 I396 L429 L439E390-L394 HydrophobicContact CB-CD1 4.33Å; E390-L394 WeakPolarHBondContact O-CD1 3.35Å; E390-L394 WeakPolarHBondContact O-CG 3.23Å; E390-L394 PolarHBondContact O-N 3.42Å; L394-I396 VanDerWaalsContact C-N 3.31Å; L394-I396 HydrophobicContact CB-CD1 4.41Å; L394-I396 HydrophobicContact CB-CG1 3.98Å; L394-I396 PolarHBondContact O-N 3.48Å; L394-L429 HydrophobicContact CD2-CD1 4.21Å; L394-L439 HydrophobicContact CD1-CB 3.97Å; L394-L439 HydrophobicContact CD1-CD2 4.01Å; L394-L439 WeakPolarHBondContact CD1-O 3.47Å; L394-L439 HydrophobicContact CD2-CB 4Å; L394-L439 HydrophobicContact CD2-CD2 4.34Å
395G68.6Low77.1Confident50 Ų5035.6 Ų35.652%0.51520%0.202SC..THydrogen-bonded Turntrans58.439.9174.200000113.9I393 K397I393-G395 VanDerWaalsContact C-N 3.29Å; I393-G395 PolarHBondContact O-N 2.69Å; G395-K397 PolarHBondContact O-N 3.34Å
396I71.5Confident77.1Confident14 Ų1436.9 Ų36.97%0.07221%0.207CC..  trans-62.5123-172.8-57.5173.8000110.6L394 S399 K444 L447L394-I396 VanDerWaalsContact C-N 3.31Å; L394-I396 HydrophobicContact CB-CD1 4.41Å; L394-I396 HydrophobicContact CB-CG1 3.98Å; L394-I396 PolarHBondContact O-N 3.48Å; I396-S399 WeakPolarHBondContact O-CB 3.28Å; I396-S399 PolarHBondContact O-N 3.02Å; I396-K444 HydrophobicContact CG2-CD 4.49Å; I396-K444 HydrophobicContact CG2-CG 3.61Å; I396-L447 HydrophobicContact CB-CD1 4.05Å; I396-L447 HydrophobicContact CD1-CD1 3.81Å; I396-L447 HydrophobicContact CG2-CD1 3.98Å
397K64.8Low77.1Confident91 Ų9137 Ų3740%0.39621%0.209SC..THydrogen-bonded Turntrans-61.9136.7178.2-64.8-169.4178.2-166.90111.2G395 S399 D466G395-K397 PolarHBondContact O-N 3.34Å; K397-S399 VanDerWaalsContact C-N 3.29Å; K397-S399 PolarHBondContact O-N 2.78Å; K397-D466 IonicContact NZ-OD2 2.72Å; K397-D466 PolarHBondContact NZ-OD2 3.33Å
398G61.8Low77.1Confident15 Ų1535.9 Ų35.916%0.15521%0.205CC..THydrogen-bonded Turntrans79.12.9-175.300000114.9K400 D454G398-K400 PolarHBondContact O-N 3.32Å; G398-D454 PolarHBondContact O-N 2.97Å
399S70.9Confident77.3Confident19 Ų1936 Ų3613%0.13321%0.206CC..BIsolated β-bridgetrans-67.6117.7172.4176.90000110.9I396 K397 A401 G402I396-S399 WeakPolarHBondContact O-CB 3.28Å; I396-S399 PolarHBondContact O-N 3.02Å; K397-S399 VanDerWaalsContact C-N 3.29Å; K397-S399 PolarHBondContact O-N 2.78Å; S399-A401 PolarHBondContact O-N 3.31Å; S399-A401 PolarHBondContact OG-N 2.57Å; S399-G402 PolarHBondContact O-N 2.84Å; S399-G402 VanDerWaalsContact O-N 3.16Å; S399-G402 PolarHBondContact OG-N 3.43Å
400K67.6Low77.7Confident137 Ų13738 Ų3860%0.59621%0.21SC*.THydrogen-bonded Turntrans-63.7-23.3173.9-65.2177.6-175164.80112.2G398 N451 L452G398-K400 PolarHBondContact O-N 3.32Å; K400-N451 PolarHBondContact NZ-O 3.43Å; K400-L452 WeakPolarHBondContact CB-O 3.29Å; K400-L452 PolarHBondContact N-O 3.47Å
401A65.1Low78.4Confident22 Ų2237.4 Ų37.418%0.18221%0.207CC..THydrogen-bonded Turntrans-87.5-16.6178.400000113.2S399 N403 R404 T406S399-A401 PolarHBondContact O-N 3.31Å; S399-A401 PolarHBondContact OG-N 2.57Å; A401-N403 PolarHBondContact O-N 3.25Å; A401-R404 VanDerWaalsContact O-CB 3.3Å; A401-R404 WeakPolarHBondContact O-CB 3.4Å; A401-R404 PolarHBondContact O-N 2.82Å; A401-T406 HydrophobicContact CB-CG2 3.84Å
402G76.2Confident79.1Confident36 Ų3640.5 Ų40.537%0.37123%0.226SC..THydrogen-bonded Turntrans52.7-128.2-176.500000112.3S399 R404S399-G402 PolarHBondContact O-N 2.84Å; S399-G402 VanDerWaalsContact O-N 3.16Å; S399-G402 PolarHBondContact OG-N 3.43Å; G402-R404 VanDerWaalsContact C-N 3.27Å; G402-R404 PolarHBondContact O-N 3.11Å
403N79.6Confident79.9Confident62 Ų6241.6 Ų41.633%0.33224%0.239SC..THydrogen-bonded Turntrans-88.321.3176.5-166.414.5000113.6G357 S392 A401G357-N403 PolarHBondContact N-O 3.18Å; G357-N403 PolarHBondContact O-OD1 3.37Å; S392-N403 PolarHBondContact O-OD1 2.9Å; A401-N403 PolarHBondContact O-N 3.25Å
404R85.4Confident80.5Confident140 Ų14044 Ų4453%0.52825%0.248SC..BIsolated β-bridgetrans-99.4149.2178.2-62.9-175.4178.9-89.52.6111.5G354 D355 A401 G402G354-R404 WeakPolarHBondContact O-CD 3.42Å; G354-R404 WeakPolarHBondContact O-CG 3.22Å; G354-R404 PolarHBondContact O-NH1 3.28Å; D355-R404 CarbonylContact O-C 3.56Å; D355-R404 WeakPolarHBondContact O-CA 3.29Å; A401-R404 VanDerWaalsContact O-CB 3.3Å; A401-R404 WeakPolarHBondContact O-CB 3.4Å; A401-R404 PolarHBondContact O-N 2.82Å; G402-R404 VanDerWaalsContact C-N 3.27Å; G402-R404 PolarHBondContact O-N 3.11Å
405R87.3Confident81.4Confident17 Ų1743.5 Ų43.56%0.06425%0.245CC..  trans-66.5136.8174.7-61.5-66.9-167.4-168.88.2109.9C351 K352 K353 G354 D355 E359 G389 S392C351-R405 HydrophobicContact CB-CG 3.94Å; K352-R405 VanDerWaalsContact O-CB 3.27Å; K352-R405 WeakPolarHBondContact O-CB 3.35Å; K353-R405 WeakPolarHBondContact CA-O 3.45Å; G354-R405 PolarHBondContact N-O 3.41Å; D355-R405 HydrophobicContact CB-CG 4.16Å; D355-R405 WeakPolarHBondContact O-CG 3.48Å; D355-R405 PolarHBondContact O-N 3.41Å; E359-R405 PolarHBondContact O-NH1 3.32Å; E359-R405 PolarHBondContact O-NH2 2.81Å; G389-R405 PolarHBondContact O-NH1 3.05Å; S392-R405 PolarHBondContact OG-NH1 3.41Å
406T83.8Confident82.5Confident39 Ų3941.8 Ų41.824%0.23922%0.224CC..  trans-91.7-18.7-175.552.90000113.5A401 L452A401-T406 HydrophobicContact CB-CG2 3.84Å; T406-L452 HydrophobicContact CG2-CD1 3.81Å
407A86.6Confident83.5Confident29 Ų2941.2 Ų41.224%0.2422%0.221CC..SBendtrans-142.1157.8-175.400000112.5V370V370-A407 HydrophobicContact CG1-CB 3.91Å
408N90.6Very high84.7Confident16 Ų1637 Ų379%0.08620%0.203CC..EExtended strand (participates in β ladder)trans-87.5127.3169.8-52.3-63.3000109.1Y349 C351 K352 K353 V370 V371 D373Y349-N408 HydrophobicContact CD1-CB 4.36Å; Y349-N408 HydrophobicContact CE1-CB 4.1Å; C351-N408 WeakPolarHBondContact O-CA 3.13Å; K352-N408 WeakPolarHBondContact CA-OD1 3.18Å; K353-N408 WeakPolarHBondContact CB-OD1 3.41Å; K353-N408 PolarHBondContact N-OD1 3.34Å; V370-N408 WeakPolarHBondContact CA-O 3.44Å; V371-N408 HydrophobicContact CG2-CB 3.59Å; V371-N408 PolarHBondContact N-O 3.37Å; V371-N408 WeakPolarHBondContact O-CB 3.3Å; V371-N408 PolarHBondContact O-ND2 3.48Å; D373-N408 PolarHBondContact OD1-ND2 3.16Å
409I93.3Very high86.1Confident12 Ų1236.4 Ų36.46%0.06220%0.196CC..EExtended strand (participates in β ladder)trans-122.9122.4179.7-60177.2000108.3Y349 I350 C351 L368 V370 F388Y349-I409 CarbonylContact C-O 3.51Å; Y349-I409 WeakPolarHBondContact CA-O 3.22Å; I350-I409 HydrophobicContact CD1-CG2 4.43Å; I350-I409 PolarHBondContact N-O 3.06Å; C351-I409 PolarHBondContact O-N 2.94Å; L368-I409 HydrophobicContact CB-CG2 3.97Å; L368-I409 HydrophobicContact CD1-CG2 3.95Å; V370-I409 HydrophobicContact CG2-CG1 4.45Å; F388-I409 HydrophobicContact CB-CD1 3.9Å; F388-I409 HydrophobicContact CD1-CD1 4.39Å; F388-I409 HydrophobicContact CD2-CD1 3.17Å; F388-I409 HydrophobicContact CD2-CG1 4.49Å; F388-I409 HydrophobicContact CE2-CB 4.41Å; F388-I409 HydrophobicContact CE2-CD1 3.66Å; F388-I409 HydrophobicContact CE2-CG2 4.17Å; F388-I409 HydrophobicContact CG-CD1 3.57Å; F388-I409 HydrophobicContact CZ-CD1 4.45Å; F388-I409 HydrophobicContact CZ-CG2 4.11Å
410R94.1Very high87Confident55 Ų5535.5 Ų35.521%0.20819%0.19CC..EExtended strand (participates in β ladder)trans-122.1137.7-176.5-171.1177.767.5-162.4-6.6110.9G347 D348 Y349 L368 A369 V371 G375G347-R410 WeakPolarHBondContact O-CD 3.34Å; G347-R410 WeakPolarHBondContact O-CG 3.45Å; D348-R410 CarbonylContact O-C 3.4Å; D348-R410 VanDerWaalsContact O-CA 3.28Å; D348-R410 WeakPolarHBondContact O-CA 3.22Å; D348-R410 WeakPolarHBondContact O-CG 3.23Å; Y349-R410 HydrophobicContact CD1-CB 4.28Å; Y349-R410 HydrophobicContact CE1-CB 4.26Å; Y349-R410 HydrophobicContact CE2-CG 4.48Å; L368-R410 CarbonylContact C-O 3.59Å; L368-R410 WeakPolarHBondContact CA-O 3.26Å; A369-R410 PolarHBondContact N-O 3Å; A369-R410 PolarHBondContact O-N 3.02Å; V371-R410 HydrophobicContact CG1-CB 4.33Å; V371-R410 HydrophobicContact CG2-CB 4.35Å; G375-R410 PolarHBondContact O-NH1 2.88Å; G375-R410 PolarHBondContact O-NH2 3.31Å
411S94.8Very high88.2Confident1 Ų130.3 Ų30.31%0.00717%0.171CC..EExtended strand (participates in β ladder)trans-71.6129.9173.3-160.90000110.8S345 G347 D348 G413 S415S345-S411 WeakPolarHBondContact O-CB 3.13Å; G347-S411 WeakPolarHBondContact CA-O 3.35Å; G347-S411 PolarHBondContact N-O 3.02Å; D348-S411 PolarHBondContact O-N 3.43Å; S411-G413 PolarHBondContact OG-O 3.27Å; S411-S415 WeakPolarHBondContact OG-CB 3.17Å; S411-S415 PolarHBondContact OG-OG 3.35Å
412V92.6Very high89.3Confident77 Ų7732.5 Ų32.547%0.46718%0.177SC..SBendtrans-80.6-42.6175.7-179.40000110.3K367 A369K367-V412 HydrophobicContact CB-CB 4.29Å; K367-V412 HydrophobicContact CB-CG2 4.48Å; K367-V412 WeakPolarHBondContact O-CB 3.24Å; K367-V412 PolarHBondContact O-N 3.41Å; A369-V412 HydrophobicContact CB-CG2 3.76Å
413G91.6Very high89.9Confident28 Ų2836.9 Ų36.929%0.28919%0.191SC..SBendtrans-122-158.817700000111.5S345 P346 S411S345-G413 CarbonylContact C-O 3.47Å; P346-G413 WeakPolarHBondContact CA-O 3.39Å; S411-G413 PolarHBondContact OG-O 3.27Å
414Y91.8Very high90.4Very high53 Ų5335.9 Ų35.921%0.20819%0.186CC..  trans-70.1131.8159.9-71.5-83.8000108.4K280 Y284 F344 P346K280-Y414 WeakPolarHBondContact CG-OH 3.43Å; K280-Y414 PolarHBondContact O-OH 2.98Å; Y284-Y414 AromaticContact CD1-CD1 3.33Å; Y284-Y414 HydrophobicContact CD1-CD1 3.33Å; Y284-Y414 AromaticContact CD1-CE1 3.7Å; Y284-Y414 HydrophobicContact CD1-CE1 3.7Å; Y284-Y414 AromaticContact CD1-CG 3.88Å; Y284-Y414 HydrophobicContact CD1-CG 3.88Å; Y284-Y414 AromaticContact CD2-CD1 3.78Å; Y284-Y414 HydrophobicContact CD2-CD1 3.78Å; Y284-Y414 AromaticContact CD2-CD2 3.65Å; Y284-Y414 HydrophobicContact CD2-CD2 3.65Å; Y284-Y414 AromaticContact CD2-CE1 3.99Å; Y284-Y414 HydrophobicContact CD2-CE1 3.99Å; Y284-Y414 AromaticContact CD2-CE2 3.88Å; Y284-Y414 HydrophobicContact CD2-CE2 3.88Å; Y284-Y414 AromaticContact CD2-CG 3.59Å; Y284-Y414 HydrophobicContact CD2-CG 3.59Å; Y284-Y414 AromaticContact CE1-CD1 3.6Å; Y284-Y414 HydrophobicContact CE1-CD1 3.6Å; Y284-Y414 HydrophobicContact CE1-CE1 4.41Å; Y284-Y414 AromaticContact CE1-CG 3.81Å; Y284-Y414 HydrophobicContact CE1-CG 3.81Å; Y284-Y414 HydrophobicContact CE2-CD1 4.02Å; Y284-Y414 AromaticContact CE2-CD2 3.76Å; Y284-Y414 HydrophobicContact CE2-CD2 3.76Å; Y284-Y414 HydrophobicContact CE2-CE2 4.46Å; Y284-Y414 AromaticContact CE2-CG 3.51Å; Y284-Y414 HydrophobicContact CE2-CG 3.51Å; Y284-Y414 AromaticContact CG-CD1 3.43Å; Y284-Y414 HydrophobicContact CG-CD1 3.43Å; Y284-Y414 VanDerWaalsContact CG-CD1 3.43Å; Y284-Y414 HydrophobicContact CG-CD2 4.13Å; Y284-Y414 AromaticContact CG-CE1 3.45Å; Y284-Y414 HydrophobicContact CG-CE1 3.45Å; Y284-Y414 VanDerWaalsContact CG-CE1 3.45Å; Y284-Y414 HydrophobicContact CG-CE2 4.17Å; Y284-Y414 AromaticContact CG-CG 3.77Å; Y284-Y414 HydrophobicContact CG-CG 3.77Å; Y284-Y414 AromaticContact CG-CZ 3.83Å; Y284-Y414 AromaticContact CZ-CD1 3.93Å; Y284-Y414 AromaticContact CZ-CG 3.62Å; Y284-Y414 WeakPolarHBondContact OH-CB 3.46Å; F344-Y414 WeakPolarHBondContact O-CA 3.35Å; P346-Y414 HydrophobicContact CG-CD2 3.93Å; P346-Y414 HydrophobicContact CG-CE2 3.94Å; P346-Y414 HydrophobicContact CG-CG 4.38Å
415S92.6Very high90.5Very high0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-132.1133-178.8-56.10000110.6V343 F344 E365 L368 S411V343-S415 WeakPolarHBondContact CA-O 3.35Å; F344-S415 PolarHBondContact N-O 3.32Å; F344-S415 PolarHBondContact O-N 3.18Å; E365-S415 CarbonylContact O-C 3.49Å; E365-S415 WeakPolarHBondContact O-CA 3.48Å; L368-S415 WeakPolarHBondContact CD2-OG 3.23Å; S411-S415 WeakPolarHBondContact OG-CB 3.17Å; S411-S415 PolarHBondContact OG-OG 3.35Å
416D90.8Very high90.4Very high14 Ų1431.2 Ų31.28%0.07517%0.172CC..EExtended strand (participates in β ladder)trans-98.8118.4173.4-71.9-1.4000109.6K290 K364 E365K290-D416 WeakPolarHBondContact CE-OD2 3.45Å; K290-D416 IonicContact NZ-OD1 3.86Å; K290-D416 PolarHBondContact NZ-OD1 2.9Å; K290-D416 IonicContact NZ-OD2 2.78Å; K290-D416 PolarHBondContact NZ-OD2 3.09Å; K364-D416 HydrophobicContact CB-CB 4.25Å; K364-D416 WeakPolarHBondContact CB-O 3.09Å; K364-D416 HydrophobicContact CD-CB 4.42Å; K364-D416 PolarHBondContact N-O 2.91Å; E365-D416 HydrophobicContact CB-CB 4.26Å; E365-D416 PolarHBondContact N-O 3.26Å; E365-D416 PolarHBondContact O-N 3.28Å
417L91.8Very high90.6Very high2 Ų234.6 Ų34.61%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-117.1147.2179.1-52.4-175.2000109.6P341 Q342 F344 I350 Y361 I362 I363 L368 F388P341-L417 CarbonylContact C-O 3.6Å; Q342-L417 PolarHBondContact N-O 3.01Å; Q342-L417 PolarHBondContact O-N 3.25Å; F344-L417 HydrophobicContact CD2-CD1 3.58Å; F344-L417 HydrophobicContact CD2-CG 3.97Å; F344-L417 HydrophobicContact CE2-CB 4.38Å; F344-L417 HydrophobicContact CE2-CD1 3.61Å; F344-L417 HydrophobicContact CE2-CG 4.19Å; I350-L417 HydrophobicContact CG1-CD1 3.85Å; I350-L417 HydrophobicContact CG2-CD1 4.15Å; Y361-L417 HydrophobicContact CD1-CB 4.34Å; Y361-L417 HydrophobicContact CD1-CD1 4.34Å; Y361-L417 HydrophobicContact CG-CD1 4.37Å; I362-L417 CarbonylContact O-C 3.55Å; I362-L417 VanDerWaalsContact O-CA 3.28Å; I362-L417 WeakPolarHBondContact O-CA 3.4Å; I363-L417 HydrophobicContact CB-CD2 4.05Å; I363-L417 HydrophobicContact CG1-CD2 3.77Å; I363-L417 HydrophobicContact CG2-CD2 4.08Å; L368-L417 HydrophobicContact CD1-CD1 4.1Å; L368-L417 HydrophobicContact CD1-CD2 3.96Å; F388-L417 HydrophobicContact CE1-CD1 4.25Å; F388-L417 HydrophobicContact CZ-CD1 3.99Å
418F90.8Very high90.7Very high3 Ų333.2 Ų33.21%0.01317%0.173CC..EExtended strand (participates in β ladder)trans-96.3122.7159.4-68.5-66.6000109H314 T317 L339 Q340 P341 Y361 I362 K364H314-F418 AromaticContact CE1-CE1 3.56Å; H314-F418 AromaticContact CE1-CZ 3.42Å; H314-F418 VanDerWaalsContact CE1-CZ 3.42Å; H314-F418 WeakPolarHBondContact CE1-CZ 3.38Å; H314-F418 AromaticContact ND1-CE1 3.59Å; H314-F418 AromaticContact ND1-CE2 3.82Å; H314-F418 AromaticContact ND1-CZ 3.08Å; H314-F418 WeakPolarHBondContact ND1-CZ 3.32Å; T317-F418 HydrophobicContact CG2-CD2 4.4Å; T317-F418 HydrophobicContact CG2-CE2 4.22Å; L339-F418 HydrophobicContact CB-CB 4.2Å; L339-F418 HydrophobicContact CB-CD1 4.01Å; L339-F418 HydrophobicContact CB-CG 4.28Å; L339-F418 HydrophobicContact CD1-CB 4.1Å; L339-F418 HydrophobicContact CD1-CD1 4.38Å; L339-F418 HydrophobicContact CD1-CD2 4.26Å; L339-F418 HydrophobicContact CD1-CG 4.01Å; L339-F418 HydrophobicContact CD2-CB 3.98Å; L339-F418 HydrophobicContact CG-CB 4.31Å; Q340-F418 CarbonylContact O-C 3.24Å; Q340-F418 WeakPolarHBondContact O-CA 3.47Å; P341-F418 HydrophobicContact CB-CD1 4.28Å; P341-F418 HydrophobicContact CB-CE1 4.08Å; Y361-F418 CarbonylContact C-O 3.57Å; Y361-F418 VanDerWaalsContact CA-O 3.27Å; Y361-F418 WeakPolarHBondContact CA-O 3.29Å; I362-F418 HydrophobicContact CB-CB 4.35Å; I362-F418 PolarHBondContact N-O 3.38Å; I362-F418 PolarHBondContact O-N 2.76Å; K364-F418 HydrophobicContact CB-CD2 4.05Å; K364-F418 HydrophobicContact CB-CE2 3.79Å; K364-F418 HydrophobicContact CD-CE2 3.61Å; K364-F418 HydrophobicContact CD-CZ 3.68Å; K364-F418 HydrophobicContact CG-CD2 4.5Å; K364-F418 HydrophobicContact CG-CE2 3.75Å; K364-F418 HydrophobicContact CG-CZ 4.34Å
419A91.5Very high90.4Very high2 Ų232.6 Ų32.62%0.01717%0.17CC..EExtended strand (participates in β ladder)trans-90133.8170.900000109.7Q340 Q342 M360 Y361Q340-A419 PolarHBondContact N-O 2.83Å; Q340-A419 PolarHBondContact O-N 2.93Å; Q342-A419 HydrophobicContact CG-CB 4.11Å; M360-A419 WeakPolarHBondContact O-CA 3.3Å; Y361-A419 HydrophobicContact CD1-CB 3.8Å; Y361-A419 HydrophobicContact CE1-CB 3.61Å
420L90.4Very high90.1Very high1 Ų136.9 Ų36.91%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-121.4122.5171.1-178.566.7000108.3L335 K338 L339 E359 M360 D424 L425L335-L420 HydrophobicContact CD2-CD1 4.34Å; L335-L420 HydrophobicContact CD2-CD2 3.8Å; K338-L420 HydrophobicContact CB-CD1 3.96Å; L339-L420 HydrophobicContact CD2-CB 4.05Å; L339-L420 HydrophobicContact CD2-CD1 4.33Å; E359-L420 CarbonylContact C-O 3.59Å; E359-L420 WeakPolarHBondContact CA-O 3.49Å; M360-L420 HydrophobicContact CG-CB 3.83Å; M360-L420 HydrophobicContact CG-CD2 4.29Å; M360-L420 HydrophobicContact CG-CG 4.47Å; M360-L420 PolarHBondContact N-O 3.42Å; M360-L420 PolarHBondContact O-N 3.47Å; M360-L420 HydrophobicContact SD-CD2 4.01Å; L420-D424 HydrophobicContact CD1-CB 3.97Å; L420-L425 HydrophobicContact CD2-CB 3.8Å; L420-L425 HydrophobicContact CD2-CD1 3.66Å; L420-L425 HydrophobicContact CD2-CG 4.19Å; L420-L425 HydrophobicContact CG-CB 4.1Å
421S91.6Very high89.7Confident27 Ų2740.6 Ų40.619%0.18922%0.217CC..EExtended strand (participates in β ladder)trans-71.5153.6-178.586.30000111.3D423 D424 L425S421-D423 VanDerWaalsContact C-N 3.28Å; S421-D423 PolarHBondContact O-N 2.97Å; S421-D424 WeakPolarHBondContact CB-OD2 3.22Å; S421-D424 PolarHBondContact O-N 2.95Å; S421-D424 VanDerWaalsContact OG-CB 3.28Å; S421-D424 WeakPolarHBondContact OG-CB 3.35Å; S421-D424 PolarHBondContact OG-N 3.45Å; S421-D424 VanDerWaalsContact OG-N 3.12Å; S421-D424 PolarHBondContact OG-OD2 2.98Å; S421-L425 WeakPolarHBondContact O-CB 3.47Å; S421-L425 PolarHBondContact O-N 3.27Å
422K87.7Confident89.2Confident69 Ų6942.7 Ų42.730%0.323%0.225SC..Hα-helixtrans-56.8-44.3175.4177.6179.8177-178.20111.4R358 I393 L425 M426R358-K422 WeakPolarHBondContact O-CB 3.41Å; R358-K422 PolarHBondContact O-N 3.35Å; I393-K422 HydrophobicContact CB-CB 4.09Å; I393-K422 HydrophobicContact CB-CD 4.5Å; I393-K422 HydrophobicContact CB-CG 4.07Å; I393-K422 HydrophobicContact CG2-CB 3.99Å; I393-K422 HydrophobicContact CG2-CG 4.45Å; I393-K422 WeakPolarHBondContact O-CE 3.24Å; K422-L425 PolarHBondContact O-N 3.25Å; K422-M426 HydrophobicContact CG-CG 4.16Å; K422-M426 VanDerWaalsContact O-CB 3.28Å; K422-M426 WeakPolarHBondContact O-CB 3.38Å; K422-M426 WeakPolarHBondContact O-CG 3.38Å; K422-M426 PolarHBondContact O-N 3.23Å
423D89.6Confident88.8Confident127 Ų12742.5 Ų42.568%0.67923%0.225SC*.Hα-helixtrans-66.8-44.9-175.8-60.1-30.8000110.3S421 L425 M426 E427S421-D423 VanDerWaalsContact C-N 3.28Å; S421-D423 PolarHBondContact O-N 2.97Å; D423-L425 PolarHBondContact O-N 3.43Å; D423-M426 PolarHBondContact O-N 3Å; D423-E427 WeakPolarHBondContact O-CB 3.49Å; D423-E427 PolarHBondContact O-N 3.32Å
424D90.3Very high88.4Confident42 Ų4246.5 Ų46.523%0.22524%0.24CC..Hα-helixtrans-61.6-43.2177.5-69.3-37.3000112.6K338 L420 S421 A428K338-D424 HydrophobicContact CB-CB 4Å; K338-D424 HydrophobicContact CD-CB 3.6Å; K338-D424 HydrophobicContact CG-CB 4.34Å; K338-D424 PolarHBondContact NZ-O 3.43Å; L420-D424 HydrophobicContact CD1-CB 3.97Å; S421-D424 WeakPolarHBondContact CB-OD2 3.22Å; S421-D424 PolarHBondContact O-N 2.95Å; S421-D424 VanDerWaalsContact OG-CB 3.28Å; S421-D424 WeakPolarHBondContact OG-CB 3.35Å; S421-D424 PolarHBondContact OG-N 3.45Å; S421-D424 VanDerWaalsContact OG-N 3.12Å; S421-D424 PolarHBondContact OG-OD2 2.98Å; D424-A428 PolarHBondContact O-N 3.1Å
425L87.2Confident87.8Confident1 Ų144.6 Ų44.61%0.00524%0.235CC..Hα-helixtrans-67-46.9176.6178.766.5000110.8L335 M360 I393 L420 S421 K422 D423 E427 A428 L429L335-L425 HydrophobicContact CD2-CD1 4.04Å; M360-L425 HydrophobicContact SD-CD2 3.81Å; I393-L425 HydrophobicContact CD1-CD2 3.29Å; I393-L425 HydrophobicContact CG1-CD2 4.14Å; L420-L425 HydrophobicContact CD2-CB 3.8Å; L420-L425 HydrophobicContact CD2-CD1 3.66Å; L420-L425 HydrophobicContact CD2-CG 4.19Å; L420-L425 HydrophobicContact CG-CB 4.1Å; S421-L425 WeakPolarHBondContact O-CB 3.47Å; S421-L425 PolarHBondContact O-N 3.27Å; K422-L425 PolarHBondContact O-N 3.25Å; D423-L425 PolarHBondContact O-N 3.43Å; L425-E427 VanDerWaalsContact C-N 3.31Å; L425-E427 PolarHBondContact O-N 3.11Å; L425-A428 PolarHBondContact O-N 2.9Å; L425-L429 HydrophobicContact CD1-CD1 3.86Å; L425-L429 HydrophobicContact CD1-CD2 4.39Å; L425-L429 HydrophobicContact CD1-CG 3.87Å; L425-L429 HydrophobicContact CD2-CD1 4.08Å; L425-L429 HydrophobicContact CG-CD1 3.66Å; L425-L429 HydrophobicContact CG-CG 4.05Å; L425-L429 WeakPolarHBondContact O-CB 3.25Å; L425-L429 VanDerWaalsContact O-CG 3.23Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 2.89Å
426M85.9Confident87.4Confident57 Ų5747.7 Ų47.728%0.28125%0.248SC..Hα-helixtrans-64.8-37.7-177.1-74.2-61-61.600111.7K422 D423 L429 T430K422-M426 HydrophobicContact CG-CG 4.16Å; K422-M426 VanDerWaalsContact O-CB 3.28Å; K422-M426 WeakPolarHBondContact O-CB 3.38Å; K422-M426 WeakPolarHBondContact O-CG 3.38Å; K422-M426 PolarHBondContact O-N 3.23Å; D423-M426 PolarHBondContact O-N 3Å; M426-L429 PolarHBondContact O-N 3.47Å; M426-T430 WeakPolarHBondContact O-CG2 3.5Å; M426-T430 PolarHBondContact O-N 3.16Å; M426-T430 VanDerWaalsContact O-N 3.09Å
427E88.1Confident87Confident111 Ų11152.6 Ų52.652%0.51927%0.269SS..Hα-helixtrans-58.9-53.2172.5-175-177.5-151.900110.6K338 D423 L425 L429 T430K338-E427 IonicContact NZ-OE2 2.81Å; K338-E427 PolarHBondContact NZ-OE2 3.37Å; D423-E427 WeakPolarHBondContact O-CB 3.49Å; D423-E427 PolarHBondContact O-N 3.32Å; L425-E427 VanDerWaalsContact C-N 3.31Å; L425-E427 PolarHBondContact O-N 3.11Å; E427-L429 VanDerWaalsContact C-N 3.34Å; E427-L429 PolarHBondContact O-N 3.25Å; E427-T430 WeakPolarHBondContact O-CB 3.3Å; E427-T430 PolarHBondContact O-N 2.97Å; E427-T430 PolarHBondContact O-OG1 3.17Å
428A87.6Confident86.5Confident0 Ų054.6 Ų54.60%029%0.286CS..Hα-helixtrans-59.8-43.9178.100000111.7L331 E334 L335 D424 L425 T430 E431 Y432L331-A428 HydrophobicContact CD1-CB 3.86Å; E334-A428 WeakPolarHBondContact OE1-CA 3.46Å; L335-A428 HydrophobicContact CD2-CB 3.78Å; D424-A428 PolarHBondContact O-N 3.1Å; L425-A428 PolarHBondContact O-N 2.9Å; A428-T430 PolarHBondContact O-N 3.38Å; A428-T430 VanDerWaalsContact O-N 3.15Å; A428-E431 PolarHBondContact O-N 2.9Å; A428-Y432 WeakPolarHBondContact O-CD2 3.43Å; A428-Y432 PolarHBondContact O-N 3.12Å
429L85.3Confident85.9Confident2 Ų254.5 Ų54.51%0.0129%0.285CS..Hα-helixtrans-68.4-11.4178.8-70-178.8000114.3L331 L394 L425 M426 E427 E431 Y432 A435 K436 L439L331-L429 HydrophobicContact CD2-CD2 4.43Å; L394-L429 HydrophobicContact CD2-CD1 4.21Å; L425-L429 HydrophobicContact CD1-CD1 3.86Å; L425-L429 HydrophobicContact CD1-CD2 4.39Å; L425-L429 HydrophobicContact CD1-CG 3.87Å; L425-L429 HydrophobicContact CD2-CD1 4.08Å; L425-L429 HydrophobicContact CG-CD1 3.66Å; L425-L429 HydrophobicContact CG-CG 4.05Å; L425-L429 WeakPolarHBondContact O-CB 3.25Å; L425-L429 VanDerWaalsContact O-CG 3.23Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 2.89Å; M426-L429 PolarHBondContact O-N 3.47Å; E427-L429 VanDerWaalsContact C-N 3.34Å; E427-L429 PolarHBondContact O-N 3.25Å; L429-E431 VanDerWaalsContact C-N 3.35Å; L429-Y432 CarbonylContact O-C 3.53Å; L429-A435 HydrophobicContact CD2-CB 4.1Å; L429-K436 HydrophobicContact CB-CB 4.13Å; L429-K436 HydrophobicContact CB-CD 4.44Å; L429-K436 HydrophobicContact CB-CG 4.36Å; L429-K436 HydrophobicContact CD1-CB 4.37Å; L429-K436 HydrophobicContact CD1-CG 4.29Å; L429-K436 HydrophobicContact CD2-CB 4.21Å; L429-K436 HydrophobicContact CG-CB 4.48Å; L429-L439 HydrophobicContact CD1-CD1 4Å; L429-L439 HydrophobicContact CD2-CD1 3.76Å; L429-L439 HydrophobicContact CG-CD1 4.48Å
430T86.1Confident85.4Confident102 Ų10257.1 Ų57.163%0.62630%0.297SS*.Hα-helixtrans-70.7-34172.365.50000112.1M426 E427 A428M426-T430 WeakPolarHBondContact O-CG2 3.5Å; M426-T430 PolarHBondContact O-N 3.16Å; M426-T430 VanDerWaalsContact O-N 3.09Å; E427-T430 WeakPolarHBondContact O-CB 3.3Å; E427-T430 PolarHBondContact O-N 2.97Å; E427-T430 PolarHBondContact O-OG1 3.17Å; A428-T430 PolarHBondContact O-N 3.38Å; A428-T430 VanDerWaalsContact O-N 3.15Å
431E85.4Confident84.9Confident134 Ų13463.6 Ų63.663%0.62633%0.327SS*.Hα-helixtrans-82.5-25.7177.9-60.1-167.2174.800112.1A428 L429 P433A428-E431 PolarHBondContact O-N 2.9Å; L429-E431 VanDerWaalsContact C-N 3.35Å; E431-P433 WeakPolarHBondContact O-CD 3.44Å
432Y85.2Confident84.3Confident45 Ų4566 Ų6618%0.17633%0.334CS..  trans-117.676.3-177.7-57.7-87.3000112.4E328 G330 L331 A428 L429 D434 A435 K436E328-Y432 HydrophobicContact CB-CD1 4.47Å; E328-Y432 HydrophobicContact CB-CE1 4.39Å; G330-Y432 WeakPolarHBondContact CA-OH 3.21Å; L331-Y432 HydrophobicContact CB-CD1 3.99Å; L331-Y432 HydrophobicContact CB-CD2 3.77Å; L331-Y432 HydrophobicContact CB-CE1 4.15Å; L331-Y432 HydrophobicContact CB-CE2 3.96Å; L331-Y432 HydrophobicContact CB-CG 3.8Å; L331-Y432 HydrophobicContact CD1-CD2 3.6Å; L331-Y432 HydrophobicContact CD1-CE2 4.19Å; L331-Y432 HydrophobicContact CD1-CG 4.12Å; L331-Y432 HydrophobicContact CD2-CG 4.47Å; L331-Y432 HydrophobicContact CG-CD2 4.2Å; L331-Y432 HydrophobicContact CG-CG 4.34Å; L331-Y432 PolarHBondContact N-OH 2.98Å; A428-Y432 WeakPolarHBondContact O-CD2 3.43Å; A428-Y432 PolarHBondContact O-N 3.12Å; L429-Y432 CarbonylContact O-C 3.53Å; Y432-D434 VanDerWaalsContact C-N 3.33Å; Y432-D434 PolarHBondContact O-N 3.31Å; Y432-A435 PolarHBondContact O-N 3.2Å; Y432-K436 PolarHBondContact O-N 3.25Å
433P83.6Confident83.8Confident72 Ų7262.7 Ų62.747%0.46832%0.32SS..Hα-helixtrans-67-27.6-17325.9-35.1000114.3E431 K436 K437E431-P433 WeakPolarHBondContact O-CD 3.44Å; P433-K436 WeakPolarHBondContact O-CB 3.4Å; P433-K436 PolarHBondContact O-N 2.95Å; P433-K437 WeakPolarHBondContact O-CG 3.39Å; P433-K437 PolarHBondContact O-N 3.46Å; P433-K437 VanDerWaalsContact O-N 3.08Å
434D82.4Confident83.2Confident112 Ų11260.1 Ų60.160%0.59930%0.303SS*.Hα-helixtrans-72.7-38.9179.2-67.6-28.6000111.8Y432 K436 K437 A438Y432-D434 VanDerWaalsContact C-N 3.33Å; Y432-D434 PolarHBondContact O-N 3.31Å; D434-K436 VanDerWaalsContact C-N 3.29Å; D434-K436 PolarHBondContact O-N 3.16Å; D434-K437 PolarHBondContact O-N 3.4Å; D434-K437 IonicContact OD1-NZ 2.71Å; D434-A438 PolarHBondContact O-N 2.97Å
435A80.6Confident82.7Confident13 Ų1360.9 Ų60.911%0.10732%0.315CS..Hα-helixtrans-61.9-40.2171.300000111.2L331 L429 Y432 K437 A438 L439L331-A435 HydrophobicContact CD2-CB 3.38Å; L429-A435 HydrophobicContact CD2-CB 4.1Å; Y432-A435 PolarHBondContact O-N 3.2Å; A435-K437 PolarHBondContact O-N 3.03Å; A435-A438 PolarHBondContact O-N 2.97Å; A435-L439 WeakPolarHBondContact O-CB 3.17Å; A435-L439 WeakPolarHBondContact O-CD1 3.47Å; A435-L439 PolarHBondContact O-N 3.07Å
436K83.4Confident82.2Confident65 Ų6563.5 Ų63.528%0.28333%0.329SS..Hα-helixtrans-59-46.6175.5-175.1178.7174.4178.40111.9L429 Y432 P433 D434 L439 E440L429-K436 HydrophobicContact CB-CB 4.13Å; L429-K436 HydrophobicContact CB-CD 4.44Å; L429-K436 HydrophobicContact CB-CG 4.36Å; L429-K436 HydrophobicContact CD1-CB 4.37Å; L429-K436 HydrophobicContact CD1-CG 4.29Å; L429-K436 HydrophobicContact CD2-CB 4.21Å; L429-K436 HydrophobicContact CG-CB 4.48Å; Y432-K436 PolarHBondContact O-N 3.25Å; P433-K436 WeakPolarHBondContact O-CB 3.4Å; P433-K436 PolarHBondContact O-N 2.95Å; D434-K436 VanDerWaalsContact C-N 3.29Å; D434-K436 PolarHBondContact O-N 3.16Å; K436-L439 WeakPolarHBondContact O-CB 3.4Å; K436-L439 PolarHBondContact O-N 2.87Å; K436-E440 WeakPolarHBondContact CE-OE1 3.33Å; K436-E440 WeakPolarHBondContact O-CG 3.32Å; K436-E440 PolarHBondContact O-N 3.35Å
437K82.1Confident81.7Confident117 Ų11760.8 Ų60.851%0.50932%0.315SS..Hα-helixtrans-60.4-46.3176.6-72.4174.7-173.3163.30111.7P433 D434 A435 L439 E440 E441P433-K437 WeakPolarHBondContact O-CG 3.39Å; P433-K437 PolarHBondContact O-N 3.46Å; P433-K437 VanDerWaalsContact O-N 3.08Å; D434-K437 PolarHBondContact O-N 3.4Å; D434-K437 IonicContact OD1-NZ 2.71Å; A435-K437 PolarHBondContact O-N 3.03Å; K437-L439 VanDerWaalsContact C-N 3.29Å; K437-L439 PolarHBondContact O-N 3.43Å; K437-E440 PolarHBondContact O-N 3.12Å; K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 WeakPolarHBondContact O-CG 3.42Å; K437-E441 PolarHBondContact O-N 3.22Å
438A81.3Confident81.2Confident44 Ų4459.6 Ų59.636%0.36431%0.311SS..Hα-helixtrans-60.6-38.4178.600000112.5D434 A435 K442D434-A438 PolarHBondContact O-N 2.97Å; A435-A438 PolarHBondContact O-N 2.97Å; A438-K442 PolarHBondContact O-N 2.7Å; A438-K442 VanDerWaalsContact O-N 3.1Å
439L78.6Confident80.6Confident1 Ų168 Ų681%0.00535%0.347CS..Hα-helixtrans-64-48173.3-94.6141.3000112.2I323 F324 L394 L429 A435 K436 K437 G443I323-L439 HydrophobicContact CD1-CB 4.4Å; I323-L439 HydrophobicContact CD1-CD2 3.25Å; I323-L439 HydrophobicContact CD1-CG 3.57Å; I323-L439 HydrophobicContact CG1-CD2 3.97Å; I323-L439 HydrophobicContact CG1-CG 3.83Å; F324-L439 HydrophobicContact CE1-CD1 4.32Å; L394-L439 HydrophobicContact CD1-CB 3.97Å; L394-L439 HydrophobicContact CD1-CD2 4.01Å; L394-L439 WeakPolarHBondContact CD1-O 3.47Å; L394-L439 HydrophobicContact CD2-CB 4Å; L394-L439 HydrophobicContact CD2-CD2 4.34Å; L429-L439 HydrophobicContact CD1-CD1 4Å; L429-L439 HydrophobicContact CD2-CD1 3.76Å; L429-L439 HydrophobicContact CG-CD1 4.48Å; A435-L439 WeakPolarHBondContact O-CB 3.17Å; A435-L439 WeakPolarHBondContact O-CD1 3.47Å; A435-L439 PolarHBondContact O-N 3.07Å; K436-L439 WeakPolarHBondContact O-CB 3.4Å; K436-L439 PolarHBondContact O-N 2.87Å; K437-L439 VanDerWaalsContact C-N 3.29Å; K437-L439 PolarHBondContact O-N 3.43Å; L439-G443 PolarHBondContact O-N 3.44Å
440E80.4Confident80Confident58 Ų5871.8 Ų71.827%0.27137%0.367SS..Hα-helixtrans-63.8-40.7178.1-73.5178.7-174.500112.2K436 K437 G443 K444K436-E440 WeakPolarHBondContact CE-OE1 3.33Å; K436-E440 WeakPolarHBondContact O-CG 3.32Å; K436-E440 PolarHBondContact O-N 3.35Å; K437-E440 PolarHBondContact O-N 3.12Å; E440-G443 PolarHBondContact O-N 2.88Å; E440-K444 WeakPolarHBondContact O-CB 3.28Å; E440-K444 VanDerWaalsContact O-CG 3.3Å; E440-K444 WeakPolarHBondContact O-CG 3.37Å; E440-K444 PolarHBondContact O-N 3.4Å
441E81.4Confident79.4Confident136 Ų13673.2 Ų73.264%0.63637%0.371SS*.Hα-helixtrans-64.6-46.7177.4-75.8179.4178.600112.3K437 G443 K444 A445K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 WeakPolarHBondContact O-CG 3.42Å; K437-E441 PolarHBondContact O-N 3.22Å; E441-G443 VanDerWaalsContact C-N 3.34Å; E441-G443 PolarHBondContact O-N 2.9Å; E441-K444 PolarHBondContact O-N 3.16Å; E441-A445 PolarHBondContact O-N 3.47Å
442K78.4Confident78.6Confident77 Ų7769.1 Ų69.134%0.33535%0.354SS..Hα-helixtrans-60.8-44.1173.4-91.8176.4176162.10111.5R322 I323 A438 K444 A445 I446R322-K442 PolarHBondContact O-NZ 2.94Å; I323-K442 HydrophobicContact CD1-CD 4.13Å; I323-K442 HydrophobicContact CG1-CD 4.08Å; A438-K442 PolarHBondContact O-N 2.7Å; A438-K442 VanDerWaalsContact O-N 3.1Å; K442-K444 VanDerWaalsContact C-N 3.35Å; K442-K444 PolarHBondContact O-N 2.95Å; K442-A445 PolarHBondContact O-N 2.94Å; K442-I446 WeakPolarHBondContact O-CG1 3.39Å; K442-I446 PolarHBondContact O-N 3.29Å; K442-I446 VanDerWaalsContact O-N 3.11Å
443G76.9Confident78Confident0 Ų067.5 Ų67.50%035%0.348CS..Hα-helixtrans-61-41.4176.800000112.7L439 E440 E441 I446 L447L439-G443 PolarHBondContact O-N 3.44Å; E440-G443 PolarHBondContact O-N 2.88Å; E441-G443 VanDerWaalsContact C-N 3.34Å; E441-G443 PolarHBondContact O-N 2.9Å; G443-I446 PolarHBondContact O-N 3.34Å; G443-L447 WeakPolarHBondContact O-CG 3.35Å; G443-L447 PolarHBondContact O-N 3.06Å
444K78Confident77.4Confident74 Ų7467.4 Ų67.432%0.32234%0.343SS..Hα-helixtrans-63-44.8174.2-77.7176-179.2-177.80112I396 E440 E441 K442 I446 L447 M448 I453I396-K444 HydrophobicContact CG2-CD 4.49Å; I396-K444 HydrophobicContact CG2-CG 3.61Å; E440-K444 WeakPolarHBondContact O-CB 3.28Å; E440-K444 VanDerWaalsContact O-CG 3.3Å; E440-K444 WeakPolarHBondContact O-CG 3.37Å; E440-K444 PolarHBondContact O-N 3.4Å; E441-K444 PolarHBondContact O-N 3.16Å; K442-K444 VanDerWaalsContact C-N 3.35Å; K442-K444 PolarHBondContact O-N 2.95Å; K444-I446 VanDerWaalsContact C-N 3.28Å; K444-I446 PolarHBondContact O-N 3.44Å; K444-L447 PolarHBondContact O-N 3.31Å; K444-M448 WeakPolarHBondContact O-CB 3.43Å; K444-M448 WeakPolarHBondContact O-CG 3.36Å; K444-M448 PolarHBondContact O-N 2.91Å; K444-I453 HydrophobicContact CB-CD1 4.43Å; K444-I453 HydrophobicContact CG-CD1 4.18Å
445A78.5Confident76.5Confident58 Ų5867.8 Ų67.848%0.47934%0.342SS..Hα-helixtrans-60.3-38.3178.900000112.2E441 K442 K449E441-A445 PolarHBondContact O-N 3.47Å; K442-A445 PolarHBondContact O-N 2.94Å; A445-K449 PolarHBondContact O-N 2.86Å; A445-K449 VanDerWaalsContact O-N 3.13Å
446I76.1Confident75.5Confident56 Ų5670.9 Ų70.929%0.28737%0.367SS..Hα-helixtrans-69.5-45.3175.6-61.1164.1000110.7E390 I391 K442 G443 K444 M448 K449 D450E390-I446 VanDerWaalsContact OE1-CD1 3.23Å; E390-I446 WeakPolarHBondContact OE1-CD1 3.4Å; I391-I446 HydrophobicContact CD1-CB 4.11Å; I391-I446 HydrophobicContact CD1-CG2 3.64Å; K442-I446 WeakPolarHBondContact O-CG1 3.39Å; K442-I446 PolarHBondContact O-N 3.29Å; K442-I446 VanDerWaalsContact O-N 3.11Å; G443-I446 PolarHBondContact O-N 3.34Å; K444-I446 VanDerWaalsContact C-N 3.28Å; K444-I446 PolarHBondContact O-N 3.44Å; I446-M448 VanDerWaalsContact C-N 3.29Å; I446-M448 PolarHBondContact O-N 3.41Å; I446-K449 WeakPolarHBondContact O-CB 3.41Å; I446-K449 PolarHBondContact O-N 3.05Å; I446-D450 PolarHBondContact O-N 3.46Å; I446-D450 VanDerWaalsContact O-N 3.11Å
447L76.4Confident74.4Confident0 Ų071.4 Ų71.40%038%0.375CS..Hα-helixtrans-60.8-36.4176.6-76.6172000113.1I391 I396 G443 K444 D450 N451 L452 I453I391-L447 HydrophobicContact CG2-CD1 3.96Å; I391-L447 HydrophobicContact CG2-CD2 3.69Å; I391-L447 HydrophobicContact CG2-CG 3.82Å; I396-L447 HydrophobicContact CB-CD1 4.05Å; I396-L447 HydrophobicContact CD1-CD1 3.81Å; I396-L447 HydrophobicContact CG2-CD1 3.98Å; G443-L447 WeakPolarHBondContact O-CG 3.35Å; G443-L447 PolarHBondContact O-N 3.06Å; K444-L447 PolarHBondContact O-N 3.31Å; L447-D450 PolarHBondContact O-N 2.75Å; L447-N451 PolarHBondContact O-N 3.39Å; L447-L452 HydrophobicContact CD2-CB 3.73Å; L447-L452 PolarHBondContact O-N 2.95Å; L447-I453 HydrophobicContact CB-CB 4.16Å; L447-I453 HydrophobicContact CB-CD1 4.42Å
448M77.2Confident73.3Confident86 Ų8666.6 Ų66.642%0.42436%0.358SS..Hα-helixtrans-64.2-46.8173.8-78.3175.1170.900111.3K444 I446 D450 N451 I453K444-M448 WeakPolarHBondContact O-CB 3.43Å; K444-M448 WeakPolarHBondContact O-CG 3.36Å; K444-M448 PolarHBondContact O-N 2.91Å; I446-M448 VanDerWaalsContact C-N 3.29Å; I446-M448 PolarHBondContact O-N 3.41Å; M448-D450 PolarHBondContact O-N 3.42Å; M448-N451 PolarHBondContact O-N 3.07Å; M448-N451 VanDerWaalsContact O-N 3.12Å; M448-I453 HydrophobicContact CB-CG2 4.5Å; M448-I453 HydrophobicContact CG-CG2 3.69Å
449K76.3Confident72.3Confident176 Ų17670.9 Ų70.977%0.76537%0.374SS*.Hα-helixtrans-58.1-36.1177.8-174.6-178.4174.8-1740112.4A445 I446A445-K449 PolarHBondContact O-N 2.86Å; A445-K449 VanDerWaalsContact O-N 3.13Å; I446-K449 WeakPolarHBondContact O-CB 3.41Å; I446-K449 PolarHBondContact O-N 3.05Å
450D71.7Confident71.2Confident81 Ų8173.6 Ų73.643%0.43340%0.397SS..THydrogen-bonded Turntrans-90.96.3-178.2-66.5-12.8000113.5I446 L447 M448 L452I446-D450 PolarHBondContact O-N 3.46Å; I446-D450 VanDerWaalsContact O-N 3.11Å; L447-D450 PolarHBondContact O-N 2.75Å; M448-D450 PolarHBondContact O-N 3.42Å; D450-L452 HydrophobicContact CB-CD1 3.91Å; D450-L452 HydrophobicContact CB-CG 4.15Å; D450-L452 PolarHBondContact O-N 2.88Å
451N73.4Confident70.1Confident132 Ų13273.9 Ų73.971%0.70642%0.416SS*.THydrogen-bonded Turntrans56.124.6-175.6-69.3-51.8000114.8K400 L447 M448K400-N451 PolarHBondContact NZ-O 3.43Å; L447-N451 PolarHBondContact O-N 3.39Å; M448-N451 PolarHBondContact O-N 3.07Å; M448-N451 VanDerWaalsContact O-N 3.12Å
452L69Low68.5Low49 Ų4970.3 Ų70.326%0.25741%0.41SS..  trans-96.96.4-176.6-72.6172.3000113.5K400 T406 L447 D450K400-L452 WeakPolarHBondContact CB-O 3.29Å; K400-L452 PolarHBondContact N-O 3.47Å; T406-L452 HydrophobicContact CG2-CD1 3.81Å; L447-L452 HydrophobicContact CD2-CB 3.73Å; L447-L452 PolarHBondContact O-N 2.95Å; D450-L452 HydrophobicContact CB-CD1 3.91Å; D450-L452 HydrophobicContact CB-CG 4.15Å; D450-L452 PolarHBondContact O-N 2.88Å
453I72.8Confident67.3Low11 Ų1170.8 Ų70.86%0.05642%0.416CS..BIsolated β-bridgetrans-104.9139.8173.8-150.5163.1000110.5K444 L447 M448 E455 A458K444-I453 HydrophobicContact CB-CD1 4.43Å; K444-I453 HydrophobicContact CG-CD1 4.18Å; L447-I453 HydrophobicContact CB-CB 4.16Å; L447-I453 HydrophobicContact CB-CD1 4.42Å; M448-I453 HydrophobicContact CB-CG2 4.5Å; M448-I453 HydrophobicContact CG-CG2 3.69Å; I453-E455 HydrophobicContact CG2-CG 4.03Å; I453-A458 HydrophobicContact CD1-CB 3.83Å; I453-A458 HydrophobicContact CG1-CB 3.88Å
454D69.5Low66.3Low69 Ų6975.2 Ų75.237%0.36944%0.444SS..  trans-91.1102.9163.7-168.7-29.3000108G398 A456 V457 A458G398-D454 PolarHBondContact O-N 2.97Å; D454-A456 PolarHBondContact O-N 3.09Å; D454-A456 WeakPolarHBondContact OD1-CB 3.32Å; D454-A456 PolarHBondContact OD1-N 3.06Å; D454-A456 VanDerWaalsContact OD1-N 3.15Å; D454-V457 HydrophobicContact CB-CB 4.21Å; D454-V457 HydrophobicContact CB-CG2 4.19Å; D454-V457 PolarHBondContact O-N 3.25Å; D454-V457 VanDerWaalsContact O-N 3.16Å; D454-A458 WeakPolarHBondContact O-CB 3.41Å; D454-A458 PolarHBondContact O-N 3.11Å
455E65.1Low65.2Low121 Ų12179.1 Ų79.157%0.56546%0.461SS*.Hα-helixtrans-61.4-28.6-176.2-65.5-176.3171.400112.6I453 N459I453-E455 HydrophobicContact CG2-CG 4.03Å; E455-N459 VanDerWaalsContact O-CB 3.3Å; E455-N459 WeakPolarHBondContact O-CB 3.47Å; E455-N459 PolarHBondContact O-N 2.82Å; E455-N459 VanDerWaalsContact O-N 3.1Å; E455-N459 PolarHBondContact O-ND2 3.48Å
456A59.2Low64.2Low78 Ų7878.9 Ų78.965%0.64545%0.452SS*.Hα-helixtrans-70.3-37.6177.800000111.5D454 A460D454-A456 PolarHBondContact O-N 3.09Å; D454-A456 WeakPolarHBondContact OD1-CB 3.32Å; D454-A456 PolarHBondContact OD1-N 3.06Å; D454-A456 VanDerWaalsContact OD1-N 3.15Å; A456-A460 WeakPolarHBondContact O-CB 3.37Å; A456-A460 PolarHBondContact O-N 2.82Å; A456-A460 VanDerWaalsContact O-N 3.17Å
457V60.7Low63.4Low75 Ų7580.6 Ų80.646%0.45546%0.461SS..Hα-helixtrans-84.2-30.8179-177.30000111.7D454D454-V457 HydrophobicContact CB-CB 4.21Å; D454-V457 HydrophobicContact CB-CG2 4.19Å; D454-V457 PolarHBondContact O-N 3.25Å; D454-V457 VanDerWaalsContact O-N 3.16Å
458A58.9Low62.9Low17 Ų1785.2 Ų85.214%0.1449%0.486CS..Hα-helixtrans-72.9-30.8177.300000113.1I453 D454I453-A458 HydrophobicContact CD1-CB 3.83Å; I453-A458 HydrophobicContact CG1-CB 3.88Å; D454-A458 WeakPolarHBondContact O-CB 3.41Å; D454-A458 PolarHBondContact O-N 3.11Å
459N60.6Low62.6Low133 Ų13387.7 Ų87.771%0.71150%0.496SS*.Hα-helixtrans-94-11.7175.5-70-27.3000113.6E455 G461E455-N459 VanDerWaalsContact O-CB 3.3Å; E455-N459 WeakPolarHBondContact O-CB 3.47Å; E455-N459 PolarHBondContact O-N 2.82Å; E455-N459 VanDerWaalsContact O-N 3.1Å; E455-N459 PolarHBondContact O-ND2 3.48Å; N459-G461 PolarHBondContact O-N 3.45Å
460A55.4Low62.3Low59 Ų5985.3 Ų85.349%0.48849%0.486SS..SBendtrans-63.7116.9164.600000107.8A456A456-A460 WeakPolarHBondContact O-CB 3.37Å; A456-A460 PolarHBondContact O-N 2.82Å; A456-A460 VanDerWaalsContact O-N 3.17Å
461G55.8Low62.6Low64 Ų6485.2 Ų85.266%0.6649%0.485SS*.  trans-54.1173.1171.100000112.1N459 D463N459-G461 PolarHBondContact O-N 3.45Å; G461-D463 PolarHBondContact O-N 3.37Å; G461-D463 VanDerWaalsContact O-N 3.15Å
462A49.4Very low62.9Low61 Ų6182.6 Ų82.650%0.50447%0.474SS..SBendtrans-34.1117.5-173.200000113.9L467A462-L467 HydrophobicContact CB-CD1 3.88Å
463D52.4Low63.5Low87 Ų8787.4 Ų87.447%0.46549%0.492SS..  trans-45.7123.1173.6-169-12.8000109.5G461 K465 D466 L467G461-D463 PolarHBondContact O-N 3.37Å; G461-D463 VanDerWaalsContact O-N 3.15Å; D463-K465 PolarHBondContact O-N 3.02Å; D463-K465 PolarHBondContact OD1-N 2.84Å; D463-D466 HydrophobicContact CB-CB 4.1Å; D463-D466 WeakPolarHBondContact O-CB 3.28Å; D463-D466 PolarHBondContact O-N 3.47Å; D463-L467 PolarHBondContact O-N 3.43Å; D463-L467 VanDerWaalsContact O-N 3.16Å
464P55.2Low63.9Low92 Ų9292.5 Ų92.560%0.59752%0.519SS*.Hα-helixtrans-52.8-30.6-177.512.8-25.9000112.7D466 L467 D468P464-D466 PolarHBondContact O-N 3.02Å; P464-L467 WeakPolarHBondContact O-CB 3.4Å; P464-L467 PolarHBondContact O-N 3.46Å; P464-D468 WeakPolarHBondContact O-CB 3.38Å; P464-D468 VanDerWaalsContact O-CG 3.27Å; P464-D468 PolarHBondContact O-N 3.19Å
465K55.5Low64.8Low157 Ų15794.5 Ų94.568%0.68353%0.526SS*.Hα-helixtrans-66.2-33.6174.2-77.5-178.2174.1178.40114.6D463 D468 E469D463-K465 PolarHBondContact O-N 3.02Å; D463-K465 PolarHBondContact OD1-N 2.84Å; K465-D468 PolarHBondContact O-N 3.19Å; K465-E469 PolarHBondContact O-N 3.01Å
466D57.6Low65.8Low53 Ų5393 Ų9328%0.28352%0.522SS..Hα-helixtrans-79.1-27.4179.7-158.718.9000110.3K397 D463 P464 K470K397-D466 IonicContact NZ-OD2 2.72Å; K397-D466 PolarHBondContact NZ-OD2 3.33Å; D463-D466 HydrophobicContact CB-CB 4.1Å; D463-D466 WeakPolarHBondContact O-CB 3.28Å; D463-D466 PolarHBondContact O-N 3.47Å; P464-D466 PolarHBondContact O-N 3.02Å; D466-K470 WeakPolarHBondContact O-CB 3.44Å; D466-K470 VanDerWaalsContact O-CG 3.29Å; D466-K470 WeakPolarHBondContact O-CG 3.18Å; D466-K470 PolarHBondContact O-N 3.34Å
467L59.5Low67.2Low92 Ų9294.1 Ų94.148%0.48252%0.517SS..Hα-helixtrans-70.2-45.6167.6-136.286.8000110.9A462 D463 P464 K470 I471A462-L467 HydrophobicContact CB-CD1 3.88Å; D463-L467 PolarHBondContact O-N 3.43Å; D463-L467 VanDerWaalsContact O-N 3.16Å; P464-L467 WeakPolarHBondContact O-CB 3.4Å; P464-L467 PolarHBondContact O-N 3.46Å; L467-K470 PolarHBondContact O-N 2.88Å; L467-I471 WeakPolarHBondContact O-CB 3.22Å; L467-I471 VanDerWaalsContact O-CG1 3.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.25Å; L467-I471 PolarHBondContact O-N 2.71Å
468D65.4Low68.5Low97 Ų9794.9 Ų94.952%0.51952%0.518SS..Hα-helixtrans-62.4-43.8177-73.2-27.4000111.6P464 K465 K470 I471 V472P464-D468 WeakPolarHBondContact O-CB 3.38Å; P464-D468 VanDerWaalsContact O-CG 3.27Å; P464-D468 PolarHBondContact O-N 3.19Å; K465-D468 PolarHBondContact O-N 3.19Å; D468-K470 VanDerWaalsContact C-N 3.33Å; D468-K470 PolarHBondContact O-N 3.48Å; D468-I471 PolarHBondContact O-N 3.07Å; D468-V472 VanDerWaalsContact O-CG2 3.27Å; D468-V472 WeakPolarHBondContact O-CG2 3.44Å; D468-V472 PolarHBondContact O-N 2.7Å
469E70.4Confident70Confident137 Ų13798 Ų9864%0.6453%0.532SS*.Hα-helixtrans-62-38.8174.8-103.8-173.8170.800112.7K465 V472 K473K465-E469 PolarHBondContact O-N 3.01Å; E469-V472 PolarHBondContact O-N 3.37Å; E469-K473 WeakPolarHBondContact O-CB 3.35Å; E469-K473 PolarHBondContact O-N 3.05Å
470K71.4Confident71.4Confident126 Ų12695.5 Ų95.555%0.54852%0.522SS..Hα-helixtrans-68.2-37.4174.5-78178.7-175179.70112.1D466 L467 D468 K473 L474D466-K470 WeakPolarHBondContact O-CB 3.44Å; D466-K470 VanDerWaalsContact O-CG 3.29Å; D466-K470 WeakPolarHBondContact O-CG 3.18Å; D466-K470 PolarHBondContact O-N 3.34Å; L467-K470 PolarHBondContact O-N 2.88Å; D468-K470 VanDerWaalsContact C-N 3.33Å; D468-K470 PolarHBondContact O-N 3.48Å; K470-K473 PolarHBondContact O-N 2.91Å; K470-L474 WeakPolarHBondContact O-CB 3.3Å; K470-L474 VanDerWaalsContact O-CG 3.31Å; K470-L474 WeakPolarHBondContact O-CG 3.48Å; K470-L474 PolarHBondContact O-N 2.84Å
471I76.8Confident72.8Confident80 Ų8098.7 Ų98.741%0.4153%0.528SS..Hα-helixtrans-64.7-44.5174.8-71.1165.4000109.8L467 D468 L474 Q475L467-I471 WeakPolarHBondContact O-CB 3.22Å; L467-I471 VanDerWaalsContact O-CG1 3.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.25Å; L467-I471 PolarHBondContact O-N 2.71Å; D468-I471 PolarHBondContact O-N 3.07Å; I471-L474 PolarHBondContact O-N 2.88Å; I471-Q475 PolarHBondContact O-N 2.93Å
472V80.8Confident74.4Confident77 Ų77101.3 Ų101.347%0.46752%0.523SS..Hα-helixtrans-60.5-47.4175.4171.50000111D468 E469 L474 Q475 D476D468-V472 VanDerWaalsContact O-CG2 3.27Å; D468-V472 WeakPolarHBondContact O-CG2 3.44Å; D468-V472 PolarHBondContact O-N 2.7Å; E469-V472 PolarHBondContact O-N 3.37Å; V472-L474 VanDerWaalsContact C-N 3.32Å; V472-L474 PolarHBondContact O-N 3.1Å; V472-Q475 WeakPolarHBondContact O-CB 3.16Å; V472-Q475 PolarHBondContact O-N 2.95Å; V472-Q475 VanDerWaalsContact O-N 3.14Å; V472-D476 PolarHBondContact O-N 3.45Å
473K81.3Confident76.3Confident149 Ų149102.3 Ų102.365%0.64852%0.523SS*.Hα-helixtrans-61.7-37.2175.1-103178.9176.3171.50113.4E469 K470 Q475 N477E469-K473 WeakPolarHBondContact O-CB 3.35Å; E469-K473 PolarHBondContact O-N 3.05Å; K470-K473 PolarHBondContact O-N 2.91Å; K473-Q475 VanDerWaalsContact C-N 3.34Å; K473-N477 WeakPolarHBondContact O-CB 3.31Å; K473-N477 VanDerWaalsContact O-CG 3.25Å; K473-N477 PolarHBondContact O-N 2.79Å; K473-N477 PolarHBondContact O-ND2 3.06Å
474L81.8Confident78.1Confident118 Ų118104.4 Ų104.462%0.61853%0.528SS*.Hα-helixtrans-67.5-37.7175.3-81.6165.8000111.2K470 I471 V472 L478K470-L474 WeakPolarHBondContact O-CB 3.3Å; K470-L474 VanDerWaalsContact O-CG 3.31Å; K470-L474 WeakPolarHBondContact O-CG 3.48Å; K470-L474 PolarHBondContact O-N 2.84Å; I471-L474 PolarHBondContact O-N 2.88Å; V472-L474 VanDerWaalsContact C-N 3.32Å; V472-L474 PolarHBondContact O-N 3.1Å; L474-L478 VanDerWaalsContact O-CB 3.27Å; L474-L478 WeakPolarHBondContact O-CB 3.4Å; L474-L478 PolarHBondContact O-N 3.19Å
475Q86.8Confident79.7Confident112 Ų112106.6 Ų106.652%0.52353%0.528SS..Hα-helixtrans-63.2-49173-110.2167.6-47.200111.7I471 V472 K473 N477 L478 D479I471-Q475 PolarHBondContact O-N 2.93Å; V472-Q475 WeakPolarHBondContact O-CB 3.16Å; V472-Q475 PolarHBondContact O-N 2.95Å; V472-Q475 VanDerWaalsContact O-N 3.14Å; K473-Q475 VanDerWaalsContact C-N 3.34Å; Q475-N477 VanDerWaalsContact C-N 3.32Å; Q475-N477 PolarHBondContact O-N 3.5Å; Q475-L478 WeakPolarHBondContact O-CB 3.43Å; Q475-L478 PolarHBondContact O-N 3.22Å; Q475-L478 VanDerWaalsContact O-N 3.08Å; Q475-D479 PolarHBondContact O-N 3.41Å
476D87.9Confident81.3Confident90 Ų90102 Ų10248%0.48152%0.52SS..Hα-helixtrans-59.2-44177.4-73.6-16000111.5V472 L478 D479 V480V472-D476 PolarHBondContact O-N 3.45Å; D476-L478 VanDerWaalsContact C-N 3.32Å; D476-L478 PolarHBondContact O-N 2.93Å; D476-D479 PolarHBondContact O-N 3.37Å; D476-V480 WeakPolarHBondContact O-CG2 3.31Å; D476-V480 PolarHBondContact O-N 3.28Å
477N86.9Confident82.8Confident101 Ų101105.5 Ų105.554%0.5453%0.534SS..Hα-helixtrans-65.7-35.8176.8-75.7-27.2000112.3K473 Q475 M481K473-N477 WeakPolarHBondContact O-CB 3.31Å; K473-N477 VanDerWaalsContact O-CG 3.25Å; K473-N477 PolarHBondContact O-N 2.79Å; K473-N477 PolarHBondContact O-ND2 3.06Å; Q475-N477 VanDerWaalsContact C-N 3.32Å; Q475-N477 PolarHBondContact O-N 3.5Å; N477-M481 WeakPolarHBondContact O-CB 3.48Å; N477-M481 PolarHBondContact O-N 3.35Å
478L88.9Confident84.3Confident90 Ų90106.3 Ų106.347%0.47154%0.539SS..Hα-helixtrans-67-41.1175.8-172.867.6000111.1L474 Q475 D476 M481 Q482L474-L478 VanDerWaalsContact O-CB 3.27Å; L474-L478 WeakPolarHBondContact O-CB 3.4Å; L474-L478 PolarHBondContact O-N 3.19Å; Q475-L478 WeakPolarHBondContact O-CB 3.43Å; Q475-L478 PolarHBondContact O-N 3.22Å; Q475-L478 VanDerWaalsContact O-N 3.08Å; D476-L478 VanDerWaalsContact C-N 3.32Å; D476-L478 PolarHBondContact O-N 2.93Å; L478-M481 WeakPolarHBondContact O-CB 3.44Å; L478-M481 PolarHBondContact O-N 3.4Å; L478-Q482 WeakPolarHBondContact O-CG 3.33Å; L478-Q482 PolarHBondContact O-N 3.24Å
479D89.4Confident85.5Confident83 Ų83106.3 Ų106.344%0.44454%0.537SS..Hα-helixtrans-65.2-41.7176.6-77.3-8.6000111.7Q475 D476 M481 Q482 T483Q475-D479 PolarHBondContact O-N 3.41Å; D476-D479 PolarHBondContact O-N 3.37Å; D479-M481 VanDerWaalsContact C-N 3.31Å; D479-M481 PolarHBondContact O-N 3.15Å; D479-Q482 PolarHBondContact O-N 3.16Å; D479-T483 WeakPolarHBondContact O-CB 3.43Å; D479-T483 PolarHBondContact O-N 3.15Å; D479-T483 PolarHBondContact O-OG1 2.81Å
480V90.1Very high86.4Confident80 Ų80102.7 Ų102.749%0.48553%0.531SS..Hα-helixtrans-61.6-42.1172.6171.90000110.7D476 T483 K484D476-V480 WeakPolarHBondContact O-CG2 3.31Å; D476-V480 PolarHBondContact O-N 3.28Å; V480-T483 PolarHBondContact O-N 3.34Å; V480-K484 WeakPolarHBondContact O-CG 3.47Å; V480-K484 PolarHBondContact O-N 3.42Å
481M85.8Confident87.3Confident127 Ų127103 Ų10363%0.62653%0.534SS*.Hα-helixtrans-66.7-42.5178.6-164.1-177.7-58.400111.7N477 L478 D479 T483 K484 F485N477-M481 WeakPolarHBondContact O-CB 3.48Å; N477-M481 PolarHBondContact O-N 3.35Å; L478-M481 WeakPolarHBondContact O-CB 3.44Å; L478-M481 PolarHBondContact O-N 3.4Å; D479-M481 VanDerWaalsContact C-N 3.31Å; D479-M481 PolarHBondContact O-N 3.15Å; M481-T483 VanDerWaalsContact C-N 3.32Å; M481-T483 PolarHBondContact O-N 3.07Å; M481-K484 PolarHBondContact O-N 2.93Å; M481-F485 WeakPolarHBondContact O-CB 3.42Å; M481-F485 PolarHBondContact O-N 3.34Å
482Q90.1Very high88Confident118 Ų118105.4 Ų105.455%0.55154%0.542SS*.Hα-helixtrans-61.2-41.3173.9-78.4-175.3-4.200111.7L478 D479 F485 A486L478-Q482 WeakPolarHBondContact O-CG 3.33Å; L478-Q482 PolarHBondContact O-N 3.24Å; D479-Q482 PolarHBondContact O-N 3.16Å; Q482-F485 PolarHBondContact O-N 3.23Å; Q482-A486 WeakPolarHBondContact O-CB 3.35Å; Q482-A486 PolarHBondContact O-N 3.39Å
483T89.4Confident88.4Confident82 Ų82105.3 Ų105.350%0.50354%0.542SS..Hα-helixtrans-63.3-45.8177.1-54.90000111.3D479 V480 M481 F485 A486 Q487D479-T483 WeakPolarHBondContact O-CB 3.43Å; D479-T483 PolarHBondContact O-N 3.15Å; D479-T483 PolarHBondContact O-OG1 2.81Å; V480-T483 PolarHBondContact O-N 3.34Å; M481-T483 VanDerWaalsContact C-N 3.32Å; M481-T483 PolarHBondContact O-N 3.07Å; T483-F485 VanDerWaalsContact C-N 3.33Å; T483-F485 PolarHBondContact O-N 3.43Å; T483-A486 PolarHBondContact O-N 3.46Å; T483-Q487 PolarHBondContact O-N 3.08Å
484K88.8Confident88.8Confident132 Ų132102 Ų10257%0.57454%0.537SS*.Hα-helixtrans-62.9-40174.5-75.5-174.5178.3-177.70112V480 M481 Q487 L488V480-K484 WeakPolarHBondContact O-CG 3.47Å; V480-K484 PolarHBondContact O-N 3.42Å; M481-K484 PolarHBondContact O-N 2.93Å; K484-Q487 PolarHBondContact O-N 2.87Å; K484-L488 WeakPolarHBondContact O-CB 3.44Å; K484-L488 PolarHBondContact O-N 2.97Å
485F89.9Confident89.1Confident137 Ų137100.1 Ų100.160%0.60153%0.53SS*.Hα-helixtrans-66.1-40.3177.9-158.3-90.2000111.5M481 Q482 T483 L488 M489M481-F485 WeakPolarHBondContact O-CB 3.42Å; M481-F485 PolarHBondContact O-N 3.34Å; Q482-F485 PolarHBondContact O-N 3.23Å; T483-F485 VanDerWaalsContact C-N 3.33Å; T483-F485 PolarHBondContact O-N 3.43Å; F485-L488 PolarHBondContact O-N 2.9Å; F485-M489 HydrophobicContact CD1-CG 3.88Å; F485-M489 HydrophobicContact CE1-CG 3.78Å; F485-M489 HydrophobicContact CE1-SD 4.22Å; F485-M489 WeakPolarHBondContact O-CB 3.49Å; F485-M489 VanDerWaalsContact O-CG 3.31Å; F485-M489 WeakPolarHBondContact O-CG 3.44Å; F485-M489 PolarHBondContact O-N 3.29Å
486A89.1Confident89.4Confident61 Ų6199 Ų9950%0.50453%0.525SS..Hα-helixtrans-63.5-41.6174.500000112Q482 T483 M489 A490Q482-A486 WeakPolarHBondContact O-CB 3.35Å; Q482-A486 PolarHBondContact O-N 3.39Å; T483-A486 PolarHBondContact O-N 3.46Å; A486-M489 PolarHBondContact O-N 3.38Å; A486-A490 WeakPolarHBondContact O-CB 3.36Å; A486-A490 PolarHBondContact O-N 3.26Å
487Q89Confident89.4Confident126 Ų12697.5 Ų97.559%0.58953%0.525SS*.Hα-helixtrans-61.8-46.9173.5-77.2179.7-16.600112T483 K484 M489 A490 E491T483-Q487 PolarHBondContact O-N 3.08Å; K484-Q487 PolarHBondContact O-N 2.87Å; Q487-M489 VanDerWaalsContact C-N 3.34Å; Q487-M489 PolarHBondContact O-N 3.05Å; Q487-A490 PolarHBondContact O-N 2.9Å; Q487-E491 PolarHBondContact O-N 2.69Å
488L91.3Very high89.6Confident110 Ų110101.3 Ų101.358%0.57653%0.532SS*.Hα-helixtrans-60.4-41.9176-102.8151.9000112.2K484 F485 E491 F492K484-L488 WeakPolarHBondContact O-CB 3.44Å; K484-L488 PolarHBondContact O-N 2.97Å; F485-L488 PolarHBondContact O-N 2.9Å; L488-E491 PolarHBondContact O-N 2.72Å; L488-F492 VanDerWaalsContact O-CB 3.28Å; L488-F492 WeakPolarHBondContact O-CB 3.05Å; L488-F492 PolarHBondContact O-N 3.37Å
489M90.7Very high89.5Confident96 Ų96101.7 Ų101.747%0.47353%0.534SS..Hα-helixtrans-65.5-38.5175.9-77.2-64.7-63.700112.2F485 A486 Q487 F492 T493F485-M489 HydrophobicContact CD1-CG 3.88Å; F485-M489 HydrophobicContact CE1-CG 3.78Å; F485-M489 HydrophobicContact CE1-SD 4.22Å; F485-M489 WeakPolarHBondContact O-CB 3.49Å; F485-M489 VanDerWaalsContact O-CG 3.31Å; F485-M489 WeakPolarHBondContact O-CG 3.44Å; F485-M489 PolarHBondContact O-N 3.29Å; A486-M489 PolarHBondContact O-N 3.38Å; Q487-M489 VanDerWaalsContact C-N 3.34Å; Q487-M489 PolarHBondContact O-N 3.05Å; M489-F492 PolarHBondContact O-N 2.93Å; M489-T493 WeakPolarHBondContact O-CB 3.31Å; M489-T493 PolarHBondContact O-N 3.3Å; M489-T493 PolarHBondContact O-OG1 3.08Å
490A89.6Confident89.5Confident62 Ų62104.4 Ų104.451%0.51254%0.542SS..Hα-helixtrans-66.4-44.117500000111.6A486 Q487 T493 S494A486-A490 WeakPolarHBondContact O-CB 3.36Å; A486-A490 PolarHBondContact O-N 3.26Å; Q487-A490 PolarHBondContact O-N 2.9Å; A490-T493 PolarHBondContact O-N 3.4Å; A490-S494 VanDerWaalsContact O-CB 3.3Å; A490-S494 WeakPolarHBondContact O-CB 3.42Å; A490-S494 PolarHBondContact O-N 3.38Å
491E89.9Confident89.4Confident133 Ų133106.5 Ų106.562%0.62155%0.546SS*.Hα-helixtrans-61.8-43.6173.5-81.5-170157.800112.1Q487 L488 T493 S494 T495Q487-E491 PolarHBondContact O-N 2.69Å; L488-E491 PolarHBondContact O-N 2.72Å; E491-T493 PolarHBondContact O-N 3.49Å; E491-S494 PolarHBondContact O-N 3.05Å; E491-T495 WeakPolarHBondContact O-CB 3.48Å; E491-T495 PolarHBondContact O-N 3.24Å; E491-T495 PolarHBondContact O-OG1 3.34Å
492F90.7Very high89.4Confident129 Ų129107.9 Ų107.957%0.56655%0.545SS*.Hα-helixtrans-61-46.3176.9-177.2-99000111.3L488 M489 T495 Q496L488-F492 VanDerWaalsContact O-CB 3.28Å; L488-F492 WeakPolarHBondContact O-CB 3.05Å; L488-F492 PolarHBondContact O-N 3.37Å; M489-F492 PolarHBondContact O-N 2.93Å; F492-T495 PolarHBondContact O-N 2.9Å; F492-Q496 WeakPolarHBondContact O-CB 3.39Å; F492-Q496 PolarHBondContact O-N 3.05Å
493T90.4Very high89.2Confident76 Ų76105.3 Ų105.347%0.46654%0.537SS..Hα-helixtrans-65-42.8179.3-53.10000111.6M489 A490 E491 Q496 A497M489-T493 WeakPolarHBondContact O-CB 3.31Å; M489-T493 PolarHBondContact O-N 3.3Å; M489-T493 PolarHBondContact O-OG1 3.08Å; A490-T493 PolarHBondContact O-N 3.4Å; E491-T493 PolarHBondContact O-N 3.49Å; T493-Q496 PolarHBondContact O-N 3.1Å; T493-A497 WeakPolarHBondContact O-CB 3.29Å; T493-A497 PolarHBondContact O-N 2.89Å
494S89.1Confident89Confident79 Ų79105.7 Ų105.755%0.55254%0.539SS*.Hα-helixtrans-58.7-46.7173.5169.70000111.6A490 E491 Q496 A497 R498A490-S494 VanDerWaalsContact O-CB 3.3Å; A490-S494 WeakPolarHBondContact O-CB 3.42Å; A490-S494 PolarHBondContact O-N 3.38Å; E491-S494 PolarHBondContact O-N 3.05Å; S494-Q496 PolarHBondContact O-N 3.24Å; S494-A497 PolarHBondContact O-N 3.42Å; S494-R498 WeakPolarHBondContact O-CB 3.44Å; S494-R498 PolarHBondContact O-N 3.42Å
495T88.7Confident88.7Confident78 Ų78105.2 Ų105.248%0.47954%0.539SS..Hα-helixtrans-64.3-42.6179.2-54.70000111E491 F492 R498 L499E491-T495 WeakPolarHBondContact O-CB 3.48Å; E491-T495 PolarHBondContact O-N 3.24Å; E491-T495 PolarHBondContact O-OG1 3.34Å; F492-T495 PolarHBondContact O-N 2.9Å; T495-R498 PolarHBondContact O-N 2.92Å; T495-L499 HydrophobicContact CG2-CD1 4.19Å; T495-L499 WeakPolarHBondContact O-CB 3.21Å; T495-L499 WeakPolarHBondContact O-CG 3.43Å; T495-L499 PolarHBondContact O-N 2.94Å
496Q92.4Very high88.3Confident90 Ų90103.8 Ų103.842%0.42154%0.535SS..Hα-helixtrans-64.7-41.7177.1-167.5-1751200112.1F492 T493 S494 L499 K500F492-Q496 WeakPolarHBondContact O-CB 3.39Å; F492-Q496 PolarHBondContact O-N 3.05Å; T493-Q496 PolarHBondContact O-N 3.1Å; S494-Q496 PolarHBondContact O-N 3.24Å; Q496-L499 PolarHBondContact O-N 2.85Å; Q496-K500 PolarHBondContact O-N 3.01Å
497A88.5Confident87.9Confident58 Ų58105.9 Ų105.948%0.47954%0.535SS..Hα-helixtrans-63.2-44.3175.600000111.4T493 S494 L499 K500 Q501T493-A497 WeakPolarHBondContact O-CB 3.29Å; T493-A497 PolarHBondContact O-N 2.89Å; S494-A497 PolarHBondContact O-N 3.42Å; A497-L499 PolarHBondContact O-N 2.98Å; A497-K500 PolarHBondContact O-N 3.26Å; A497-Q501 WeakPolarHBondContact O-CB 3.48Å; A497-Q501 PolarHBondContact O-N 2.97Å
498R89.1Confident87.2Confident181 Ų181101.8 Ų101.868%0.68353%0.527SS*.Hα-helixtrans-65.1-38.4177.6-165175.3177.9-177.5-0.4112.1S494 T495 R502S494-R498 WeakPolarHBondContact O-CB 3.44Å; S494-R498 PolarHBondContact O-N 3.42Å; T495-R498 PolarHBondContact O-N 2.92Å; R498-R502 WeakPolarHBondContact O-CG 3.46Å; R498-R502 PolarHBondContact O-N 3.02Å
499L87.9Confident86.4Confident98 Ų98103.5 Ų103.551%0.51353%0.529SS..Hα-helixtrans-63.5-48.3172.9-85.8163.3000111.5T495 Q496 A497 Q501 R502 V503T495-L499 HydrophobicContact CG2-CD1 4.19Å; T495-L499 WeakPolarHBondContact O-CB 3.21Å; T495-L499 WeakPolarHBondContact O-CG 3.43Å; T495-L499 PolarHBondContact O-N 2.94Å; Q496-L499 PolarHBondContact O-N 2.85Å; A497-L499 PolarHBondContact O-N 2.98Å; L499-Q501 VanDerWaalsContact C-N 3.34Å; L499-Q501 PolarHBondContact O-N 2.92Å; L499-R502 PolarHBondContact O-N 3.12Å; L499-V503 WeakPolarHBondContact O-CG2 3.49Å; L499-V503 PolarHBondContact O-N 2.92Å
500K88.6Confident85.4Confident139 Ų139103.8 Ų103.860%0.60454%0.536SS*.Hα-helixtrans-56.8-46.6175.3-82.3-176.9174.7-178.70111.7Q496 A497 R502 V503 T504Q496-K500 PolarHBondContact O-N 3.01Å; A497-K500 PolarHBondContact O-N 3.26Å; K500-R502 VanDerWaalsContact C-N 3.32Å; K500-R502 PolarHBondContact O-N 3.28Å; K500-V503 PolarHBondContact O-N 3.45Å; K500-V503 VanDerWaalsContact O-N 3.15Å; K500-T504 PolarHBondContact O-N 3.21Å; K500-T504 PolarHBondContact O-OG1 3Å
501Q88.4Confident84.5Confident124 Ų124109.2 Ų109.258%0.57955%0.548SS*.Hα-helixtrans-62-39.4178.8-165.2-179.36.500112.3A497 L499 T504 Q505A497-Q501 WeakPolarHBondContact O-CB 3.48Å; A497-Q501 PolarHBondContact O-N 2.97Å; L499-Q501 VanDerWaalsContact C-N 3.34Å; L499-Q501 PolarHBondContact O-N 2.92Å; Q501-T504 PolarHBondContact O-N 3.15Å; Q501-Q505 PolarHBondContact O-N 2.89Å
502R86.3Confident83.3Confident156 Ų156107 Ų10759%0.58955%0.548SS*.Hα-helixtrans-65.1-41.8173.5-76.9-179.872.8178.33.2112R498 L499 K500 Q505 M506R498-R502 WeakPolarHBondContact O-CG 3.46Å; R498-R502 PolarHBondContact O-N 3.02Å; L499-R502 PolarHBondContact O-N 3.12Å; K500-R502 VanDerWaalsContact C-N 3.32Å; K500-R502 PolarHBondContact O-N 3.28Å; R502-Q505 PolarHBondContact O-N 2.79Å; R502-M506 WeakPolarHBondContact O-CB 3.39Å; R502-M506 WeakPolarHBondContact O-CG 3.5Å; R502-M506 PolarHBondContact O-N 3.23Å
503V84.9Confident82.1Confident65 Ų65105 Ų10539%0.39454%0.542SS..Hα-helixtrans-61.8-47.1175.8172.50000110.2L499 K500 Q505 M506 E507L499-V503 WeakPolarHBondContact O-CG2 3.49Å; L499-V503 PolarHBondContact O-N 2.92Å; K500-V503 PolarHBondContact O-N 3.45Å; K500-V503 VanDerWaalsContact O-N 3.15Å; V503-Q505 VanDerWaalsContact C-N 3.34Å; V503-Q505 PolarHBondContact O-N 3.04Å; V503-M506 HydrophobicContact CG2-CE 4.26Å; V503-M506 CarbonylContact O-C 3.59Å; V503-M506 PolarHBondContact O-N 3.04Å; V503-M506 VanDerWaalsContact O-N 3.11Å; V503-E507 HydrophobicContact CG1-CG 4.37Å; V503-E507 WeakPolarHBondContact O-CG 3.07Å; V503-E507 PolarHBondContact O-N 3.45Å
504T86.2Confident80.9Confident90 Ų90107.9 Ų107.955%0.55255%0.548SS*.Hα-helixtrans-62-39.2176.9-520000112.5K500 Q501 E507 G508K500-T504 PolarHBondContact O-N 3.21Å; K500-T504 PolarHBondContact O-OG1 3Å; Q501-T504 PolarHBondContact O-N 3.15Å; T504-E507 PolarHBondContact O-N 2.94Å; T504-G508 PolarHBondContact O-N 2.98Å
505Q83.1Confident79.5Confident122 Ų122109.5 Ų109.557%0.5756%0.556SS**Hα-helixtrans-65-40.3172.9-82.5-174.3-0.800112.4Q501 R502 V503 G508 K509Q501-Q505 PolarHBondContact O-N 2.89Å; R502-Q505 PolarHBondContact O-N 2.79Å; V503-Q505 VanDerWaalsContact C-N 3.34Å; V503-Q505 PolarHBondContact O-N 3.04Å; Q505-G508 PolarHBondContact O-N 3.03Å; Q505-K509 WeakPolarHBondContact O-CG 3.39Å; Q505-K509 PolarHBondContact O-N 3.26Å
506M79.9Confident78Confident106 Ų106112.9 Ų112.952%0.52257%0.567SS.*Hα-helixtrans-66.1-43175.9-74-171.2-59.400111.3R502 V503 G508 K509 V510R502-M506 WeakPolarHBondContact O-CB 3.39Å; R502-M506 WeakPolarHBondContact O-CG 3.5Å; R502-M506 PolarHBondContact O-N 3.23Å; V503-M506 HydrophobicContact CG2-CE 4.26Å; V503-M506 CarbonylContact O-C 3.59Å; V503-M506 PolarHBondContact O-N 3.04Å; V503-M506 VanDerWaalsContact O-N 3.11Å; M506-G508 VanDerWaalsContact C-N 3.33Å; M506-G508 PolarHBondContact O-N 3.01Å; M506-K509 PolarHBondContact O-N 3Å; M506-V510 WeakPolarHBondContact O-CB 3.49Å; M506-V510 VanDerWaalsContact O-CG2 3.26Å; M506-V510 WeakPolarHBondContact O-CG2 3.29Å; M506-V510 PolarHBondContact O-N 3.39Å
507E80.4Confident76.3Confident106 Ų106113.2 Ų113.250%0.49557%0.572SS.*Hα-helixtrans-60.8-41.2173.7-74.5178.5169.800112V503 T504 V510 K511V503-E507 HydrophobicContact CG1-CG 4.37Å; V503-E507 WeakPolarHBondContact O-CG 3.07Å; V503-E507 PolarHBondContact O-N 3.45Å; T504-E507 PolarHBondContact O-N 2.94Å; E507-V510 PolarHBondContact O-N 2.95Å; E507-K511 WeakPolarHBondContact O-CB 3.48Å; E507-K511 WeakPolarHBondContact O-CG 3.33Å; E507-K511 PolarHBondContact O-N 2.98Å
508G75.9Confident74.8Confident40 Ų40115.7 Ų115.741%0.41258%0.576SS.*Hα-helixtrans-61.6-45.117400000112.2T504 Q505 M506 K511 S512T504-G508 PolarHBondContact O-N 2.98Å; Q505-G508 PolarHBondContact O-N 3.03Å; M506-G508 VanDerWaalsContact C-N 3.33Å; M506-G508 PolarHBondContact O-N 3.01Å; G508-K511 PolarHBondContact O-N 2.94Å; G508-S512 PolarHBondContact O-N 3.48Å; G508-S512 VanDerWaalsContact O-N 3.08Å; G508-S512 PolarHBondContact O-OG 3.12Å
509K72.9Confident73Confident146 Ų146111 Ų11164%0.63557%0.571SS**Hα-helixtrans-62.4-43.8174.9-77.5-177.1175.8-174.50112Q505 M506 K511 S512 I513Q505-K509 WeakPolarHBondContact O-CG 3.39Å; Q505-K509 PolarHBondContact O-N 3.26Å; M506-K509 PolarHBondContact O-N 3Å; K509-K511 PolarHBondContact O-N 2.73Å; K509-S512 WeakPolarHBondContact CA-OG 3.45Å; K509-S512 PolarHBondContact O-N 3.36Å; K509-S512 PolarHBondContact O-OG 2.96Å; K509-I513 WeakPolarHBondContact O-CG1 3.21Å; K509-I513 PolarHBondContact O-N 2.96Å
510V71.1Confident71.3Confident101 Ų101113.9 Ų113.961%0.61258%0.582SS**Hα-helixtrans-64.3-39.7178.3171.10000111.3M506 E507 S512 I513M506-V510 WeakPolarHBondContact O-CB 3.49Å; M506-V510 VanDerWaalsContact O-CG2 3.26Å; M506-V510 WeakPolarHBondContact O-CG2 3.29Å; M506-V510 PolarHBondContact O-N 3.39Å; E507-V510 PolarHBondContact O-N 2.95Å; V510-S512 VanDerWaalsContact C-N 3.29Å; V510-S512 PolarHBondContact O-N 2.9Å; V510-I513 PolarHBondContact O-N 3.03Å
511K70Confident69.6Low177 Ų177112.5 Ų112.577%0.7759%0.585SS**Hα-helixtrans-69.1-24.2175.4-76.5179.6179176.90113.8E507 G508 K509E507-K511 WeakPolarHBondContact O-CB 3.48Å; E507-K511 WeakPolarHBondContact O-CG 3.33Å; E507-K511 PolarHBondContact O-N 2.98Å; G508-K511 PolarHBondContact O-N 2.94Å; K509-K511 PolarHBondContact O-N 2.73Å
512S65.3Low67.8Low87 Ų87111.5 Ų111.561%0.60859%0.587SS**Hα-helixtrans-83.3-9176.7630000114.6G508 K509 V510 K514G508-S512 PolarHBondContact O-N 3.48Å; G508-S512 VanDerWaalsContact O-N 3.08Å; G508-S512 PolarHBondContact O-OG 3.12Å; K509-S512 WeakPolarHBondContact CA-OG 3.45Å; K509-S512 PolarHBondContact O-N 3.36Å; K509-S512 PolarHBondContact O-OG 2.96Å; V510-S512 VanDerWaalsContact C-N 3.29Å; V510-S512 PolarHBondContact O-N 2.9Å; S512-K514 PolarHBondContact O-N 3.16Å
513I65Low65.9Low87 Ų87107.5 Ų107.545%0.44659%0.587SS.*  trans-75.2119.9176.7-67.4167.5000108.5K509 V510 D517 L518K509-I513 WeakPolarHBondContact O-CG1 3.21Å; K509-I513 PolarHBondContact O-N 2.96Å; V510-I513 PolarHBondContact O-N 3.03Å; I513-D517 HydrophobicContact CG2-CB 4.37Å; I513-L518 HydrophobicContact CG2-CD1 4.3Å; I513-L518 HydrophobicContact CG2-CG 4.42Å
514K64.8Low64.1Low136 Ų136110.6 Ų110.659%0.59160%0.602SS**  trans-77.1151.3172.4-69.8-179.1-179.91790109.5S512 E516 D517S512-K514 PolarHBondContact O-N 3.16Å; K514-E516 PolarHBondContact O-N 2.92Å; K514-D517 PolarHBondContact O-N 3.21Å; K514-D517 VanDerWaalsContact O-N 3.16Å
515P59.9Low62.3Low112 Ų112114.7 Ų114.773%0.72761%0.612SS**THydrogen-bonded Turntrans-57.4-22.7179.2-21.731.5000114
516E57.1Low60.6Low150 Ų150116 Ų11670%0.70162%0.623SS**THydrogen-bonded Turntrans-70.6-34-178.3-64.1166.9-163.200112.1K514 L518 S519K514-E516 PolarHBondContact O-N 2.92Å; E516-L518 VanDerWaalsContact C-N 3.3Å; E516-L518 PolarHBondContact O-N 3.06Å; E516-S519 PolarHBondContact O-N 3.42Å; E516-S519 PolarHBondContact O-OG 3.45Å
517D57.3Low59.1Low97 Ų97119.8 Ų119.852%0.51964%0.636SS.*THydrogen-bonded Turntrans-75.1-15.1-179.2-62.6-36.8000113.4I513 K514 S519I513-D517 HydrophobicContact CG2-CB 4.37Å; K514-D517 PolarHBondContact O-N 3.21Å; K514-D517 VanDerWaalsContact O-N 3.16Å; D517-S519 VanDerWaalsContact C-N 3.3Å
518L56.1Low57.5Low110 Ų110124 Ų12458%0.57665%0.653SS**Hα-helixtrans-75.7-20.1175.3-87.7147.3000112.5I513 E516I513-L518 HydrophobicContact CG2-CD1 4.3Å; I513-L518 HydrophobicContact CG2-CG 4.42Å; E516-L518 VanDerWaalsContact C-N 3.3Å; E516-L518 PolarHBondContact O-N 3.06Å
519S52.7Low56.2Low81 Ų81128.5 Ų128.557%0.56667%0.672SS**Hα-helixtrans-75.9-28.7-176.468.50000113.6E516 D517E516-S519 PolarHBondContact O-N 3.42Å; E516-S519 PolarHBondContact O-OG 3.45Å; D517-S519 VanDerWaalsContact C-N 3.3Å
520E52.1Low54.5Low159 Ų159134.5 Ų134.574%0.74370%0.702SS**Hα-helixtrans-71.4-31.2176-86.9-170.3153.700112.8
521V51.8Low53.7Low110 Ų110136.2 Ų136.267%0.66771%0.707SS**Hα-helixtrans-78.5-24.8-175.4-172.60000112.5
522V51Low52.8Low103 Ų103134 Ų13462%0.62470%0.704SS**Hα-helixtrans-78.3-30.5178.6-176.80000111.5D524V522-D524 VanDerWaalsContact C-N 3.3Å; V522-D524 PolarHBondContact O-N 3.01Å
523A47.3Very low52.1Low73 Ų73136.6 Ų136.660%0.60371%0.709SS**Hα-helixtrans-70-22.2-178.900000114.2
524D47.3Very low51.4Low130 Ų130139.5 Ų139.570%0.69572%0.724SS**THydrogen-bonded Turntrans-88.4-5.5-175.7-149.125.2000113.8V522V522-D524 VanDerWaalsContact C-N 3.3Å; V522-D524 PolarHBondContact O-N 3.01Å
525K47.9Very low50.5Low176 Ų176139.8 Ų139.877%0.76573%0.733SS**SBendtrans-86.2-23.8177.5-96.4-174.6175.7179.60114.8K527K525-K527 VanDerWaalsContact C-N 3.35Å; K525-K527 PolarHBondContact O-N 2.81Å
526D46.9Very low49.9Very low149 Ų149141.6 Ų141.680%0.79773%0.733SS**THydrogen-bonded Turntrans-84-4.5-174.7-76.7-19.5000114.4
527K47.5Very low49.4Very low186 Ų186141 Ų14181%0.80974%0.735SS**THydrogen-bonded Turntrans-99.22.9-179.7-83.2-173.6178.6176.40116.2K525K525-K527 VanDerWaalsContact C-N 3.35Å; K525-K527 PolarHBondContact O-N 2.81Å
528K47.4Very low48.8Very low193 Ų193144.4 Ų144.484%0.83975%0.752SS**SBendtrans-120.922.5-175.4-89.3-173.2179.9173.70116.3
529V49.1Very low48.2Very low136 Ų136147.3 Ų147.382%0.82477%0.767SS**  trans-13079.7165.8-169.50000110
530Q37.2Very low47.8Very low271 Ų271153.3 Ų153.3100%1.26679%0.785SS**  trans-151.70149.7-11617910.800109.8

Retrieved 530 of 530 residues in 418.7 ms (Link to these results)

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