G4VSL8_SCHMA Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6

AlphaFold DB , UniProt , Accession G4VSL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 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
1M44.6Very low63Low244 Ų244138.9 Ų138.9100%1.20281%0.806SS**  088.40-69.1173.5172.100107.9S3M1-S3 PolarHBondContact O-N 3.13Å
2T60.2Low64.5Low144 Ų144135.8 Ų135.888%0.88378%0.782SS**  trans-92.197.7174.645.10000107.4S4T2-S4 PolarHBondContact O-N 2.98Å
3S58.5Low66.4Low109 Ų109133.4 Ų133.476%0.76277%0.765SS**  trans-56.8109.917149.90000108.5M1 S5M1-S3 PolarHBondContact O-N 3.13Å; S3-S5 PolarHBondContact O-N 2.66Å
4S62.4Low68.2Low114 Ų114130.6 Ų130.680%0.79775%0.754SS**  trans-60.8105.9168.651.60000107.7T2T2-S4 PolarHBondContact O-N 2.98Å
5S64.7Low69.8Low102 Ų102131.8 Ų131.871%0.71375%0.75SS**  trans-55.9126.7167-50.70000107.1S3 E7S3-S5 PolarHBondContact O-N 2.66Å; S5-E7 PolarHBondContact O-N 3Å
6P61.3Low71.3Confident114 Ų114127.4 Ų127.474%0.7473%0.727SS**  trans-59.8118178.123.6-31000107.4T8P6-T8 PolarHBondContact O-N 3.33Å
7E63.2Low72.7Confident189 Ų189123.9 Ų123.988%0.88371%0.705SS**  trans-56.598.4166.6-68.5-178.2177.100105.7S5 S9S5-E7 PolarHBondContact O-N 3Å; E7-S9 PolarHBondContact O-N 3.31Å
8T59.8Low73.9Confident117 Ų117123.3 Ų123.372%0.71870%0.695SS**  trans-63.1100.5168.638.60000103.9P6 V10P6-T8 PolarHBondContact O-N 3.33Å; T8-V10 PolarHBondContact O-N 3.39Å
9S64.9Low75.1Confident98 Ų98121.7 Ų121.769%0.68568%0.684SS**  trans-59.787.416559.80000105.2E7 K11E7-S9 PolarHBondContact O-N 3.31Å; S9-K11 VanDerWaalsContact C-N 3.28Å; S9-K11 PolarHBondContact O-N 2.88Å
10V74.6Confident76.2Confident111 Ų111121.2 Ų121.267%0.67368%0.675SS**  trans-60.4104.3172.7177.50000103.4T8 I12T8-V10 PolarHBondContact O-N 3.39Å; V10-I12 PolarHBondContact O-N 3.43Å
11K78.6Confident77.2Confident186 Ų186122 Ų12281%0.80967%0.672SS**  trans-64.396.8173-67.8-178.5-179.9178.70104.5S9 D13S9-K11 VanDerWaalsContact C-N 3.28Å; S9-K11 PolarHBondContact O-N 2.88Å; K11-D13 PolarHBondContact O-N 2.91Å
12I81.9Confident79.7Confident101 Ų101116.6 Ų116.652%0.51864%0.642SS.*  trans-65.8121.7175.2-62.2166.4000105.4V10 V16 L17V10-I12 PolarHBondContact O-N 3.43Å; I12-V16 HydrophobicContact CG2-CB 4.27Å; I12-V16 HydrophobicContact CG2-CG1 4.25Å; I12-L17 HydrophobicContact CG2-CB 4.32Å
13D88.6Confident81.5Confident105 Ų105114 Ų11456%0.56162%0.622SS**  trans-55135.7178.5-65.9-38.3000109.8K11 E15 V16 L17K11-D13 PolarHBondContact O-N 2.91Å; D13-E15 PolarHBondContact O-N 2.83Å; D13-E15 VanDerWaalsContact O-N 3.17Å; D13-V16 HydrophobicContact CB-CB 4.43Å; D13-V16 HydrophobicContact CB-CG2 4.02Å; D13-V16 WeakPolarHBondContact O-CB 3.42Å; D13-V16 PolarHBondContact O-N 3.39Å; D13-L17 PolarHBondContact O-N 3.1Å
14P91.7Very high83.4Confident95 Ų95116.1 Ų116.162%0.61761%0.614SS**Hα-helixtrans-57.9-34.3-177.223-33.3000111.8L17 E18P14-L17 PolarHBondContact O-N 3.46Å; P14-E18 WeakPolarHBondContact O-CG 3.38Å; P14-E18 PolarHBondContact O-N 2.97Å
15E92.6Very high85.1Confident148 Ų148117.4 Ų117.469%0.69261%0.605SS**Hα-helixtrans-62.5-42.9176.3-60.1-173.3168.200112.3D13 L17 E18 I19D13-E15 PolarHBondContact O-N 2.83Å; D13-E15 VanDerWaalsContact O-N 3.17Å; E15-L17 VanDerWaalsContact C-N 3.32Å; E15-L17 PolarHBondContact O-N 3.19Å; E15-E18 PolarHBondContact O-N 3.5Å; E15-I19 VanDerWaalsContact O-CG1 3.27Å; E15-I19 WeakPolarHBondContact O-CG1 3.3Å; E15-I19 PolarHBondContact O-N 3.33Å
16V94.1Very high86.7Confident62 Ų62117.8 Ų117.838%0.37660%0.596SS.*Hα-helixtrans-64-41.3177.9175.30000110.4I12 D13 I19 Q20I12-V16 HydrophobicContact CG2-CB 4.27Å; I12-V16 HydrophobicContact CG2-CG1 4.25Å; D13-V16 HydrophobicContact CB-CB 4.43Å; D13-V16 HydrophobicContact CB-CG2 4.02Å; D13-V16 WeakPolarHBondContact O-CB 3.42Å; D13-V16 PolarHBondContact O-N 3.39Å; V16-I19 PolarHBondContact O-N 3.1Å; V16-Q20 WeakPolarHBondContact O-CG 3.42Å; V16-Q20 PolarHBondContact O-N 3.32Å
17L94.2Very high88.4Confident67 Ų67117.1 Ų117.135%0.35159%0.585SS.*Hα-helixtrans-65.1-38.9177.4-175.6150.1000112I12 D13 P14 E15 Q20 K21I12-L17 HydrophobicContact CG2-CB 4.32Å; D13-L17 PolarHBondContact O-N 3.1Å; P14-L17 PolarHBondContact O-N 3.46Å; E15-L17 VanDerWaalsContact C-N 3.32Å; E15-L17 PolarHBondContact O-N 3.19Å; L17-Q20 PolarHBondContact O-N 3.34Å; L17-K21 HydrophobicContact CD2-CD 3.81Å; L17-K21 HydrophobicContact CD2-CG 4.44Å; L17-K21 VanDerWaalsContact CD2-NZ 3.28Å; L17-K21 WeakPolarHBondContact O-CG 3.5Å; L17-K21 PolarHBondContact O-N 3.29Å
18E95.1Very high89.9Confident113 Ų113111.7 Ų111.753%0.52856%0.562SS.*Hα-helixtrans-64.6-42.6173-74.2-173.6-17500112.7P14 E15 K21 K22P14-E18 WeakPolarHBondContact O-CG 3.38Å; P14-E18 PolarHBondContact O-N 2.97Å; E15-E18 PolarHBondContact O-N 3.5Å; E18-K21 PolarHBondContact O-N 2.91Å; E18-K22 WeakPolarHBondContact O-CG 3.49Å; E18-K22 PolarHBondContact O-N 3.26Å
19I96.7Very high91.7Very high94 Ų94111.6 Ų111.648%0.48256%0.557SS.*Hα-helixtrans-61.1-46.5176.1-69.5164.9000110.2E15 V16 K21 K22 I23E15-I19 VanDerWaalsContact O-CG1 3.27Å; E15-I19 WeakPolarHBondContact O-CG1 3.3Å; E15-I19 PolarHBondContact O-N 3.33Å; V16-I19 PolarHBondContact O-N 3.1Å; I19-K21 PolarHBondContact O-N 2.99Å; I19-K22 PolarHBondContact O-N 2.95Å; I19-I23 HydrophobicContact CG2-CD1 3.7Å; I19-I23 HydrophobicContact CG2-CG1 4.4Å; I19-I23 WeakPolarHBondContact O-CG1 3.31Å; I19-I23 PolarHBondContact O-N 3.25Å
20Q96.3Very high93.1Very high111 Ų111113.5 Ų113.552%0.51955%0.552SS.*Hα-helixtrans-59.3-44.2176.2-74177.6-1.200112.1V16 L17 K22 I23 Y24V16-Q20 WeakPolarHBondContact O-CG 3.42Å; V16-Q20 PolarHBondContact O-N 3.32Å; L17-Q20 PolarHBondContact O-N 3.34Å; Q20-K22 PolarHBondContact O-N 3.39Å; Q20-I23 PolarHBondContact O-N 3.37Å; Q20-Y24 VanDerWaalsContact O-CB 3.27Å; Q20-Y24 WeakPolarHBondContact O-CB 3.37Å; Q20-Y24 PolarHBondContact O-N 3.25Å
21K97.2Very high94.1Very high139 Ų139112.3 Ų112.360%0.60454%0.54SS*.Hα-helixtrans-60.6-42.6175.2-76.9176.1177.5171.60112.3L17 E18 I19 K25L17-K21 HydrophobicContact CD2-CD 3.81Å; L17-K21 HydrophobicContact CD2-CG 4.44Å; L17-K21 VanDerWaalsContact CD2-NZ 3.28Å; L17-K21 WeakPolarHBondContact O-CG 3.5Å; L17-K21 PolarHBondContact O-N 3.29Å; E18-K21 PolarHBondContact O-N 2.91Å; I19-K21 PolarHBondContact O-N 2.99Å; K21-K25 WeakPolarHBondContact O-CB 3.46Å; K21-K25 PolarHBondContact O-N 3.5Å
22K97.5Very high94.8Very high130 Ų130106.2 Ų106.257%0.56552%0.524SS*.Hα-helixtrans-62.6-50.5177-74.8178-175.2170.90111.2E18 I19 Q20 Y24 K25 E26E18-K22 WeakPolarHBondContact O-CG 3.49Å; E18-K22 PolarHBondContact O-N 3.26Å; I19-K22 PolarHBondContact O-N 2.95Å; Q20-K22 PolarHBondContact O-N 3.39Å; K22-Y24 VanDerWaalsContact C-N 3.34Å; K22-Y24 PolarHBondContact O-N 2.87Å; K22-K25 PolarHBondContact O-N 2.98Å; K22-E26 WeakPolarHBondContact O-CG 3.26Å; K22-E26 PolarHBondContact O-N 3.21Å
23I98.1Very high95.4Very high90 Ų90104 Ų10446%0.46253%0.525SS..Hα-helixtrans-58.8-46.4178.2-67.4168.3000110.7I19 Q20 K25 E26 L27I19-I23 HydrophobicContact CG2-CD1 3.7Å; I19-I23 HydrophobicContact CG2-CG1 4.4Å; I19-I23 WeakPolarHBondContact O-CG1 3.31Å; I19-I23 PolarHBondContact O-N 3.25Å; Q20-I23 PolarHBondContact O-N 3.37Å; I23-K25 PolarHBondContact O-N 3.13Å; I23-E26 PolarHBondContact O-N 3.04Å; I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.47Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 2.94Å
24Y98Very high95.6Very high152 Ų152102.7 Ų102.760%0.59652%0.521SS*.Hα-helixtrans-62-43.1178.8-176.1-107.4000112.1Q20 K22 E26 L27 L28Q20-Y24 VanDerWaalsContact O-CB 3.27Å; Q20-Y24 WeakPolarHBondContact O-CB 3.37Å; Q20-Y24 PolarHBondContact O-N 3.25Å; K22-Y24 VanDerWaalsContact C-N 3.34Å; K22-Y24 PolarHBondContact O-N 2.87Å; Y24-E26 PolarHBondContact O-N 3.4Å; Y24-L27 PolarHBondContact O-N 2.97Å; Y24-L28 HydrophobicContact CD1-CD1 3.88Å; Y24-L28 HydrophobicContact CD1-CG 4.36Å; Y24-L28 HydrophobicContact CE1-CD1 3.41Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.41Å; Y24-L28 HydrophobicContact CE1-CG 4.01Å; Y24-L28 WeakPolarHBondContact O-CG 3.47Å; Y24-L28 PolarHBondContact O-N 2.67Å
25K97.9Very high95.6Very high141 Ų141100.6 Ų100.661%0.61350%0.502SS*.Hα-helixtrans-60.6-42.9174.8-178.2178.4178.6-1790111.9K21 K22 I23 L28 L29K21-K25 WeakPolarHBondContact O-CB 3.46Å; K21-K25 PolarHBondContact O-N 3.5Å; K22-K25 PolarHBondContact O-N 2.98Å; I23-K25 PolarHBondContact O-N 3.13Å; K25-L28 PolarHBondContact O-N 3.16Å; K25-L29 HydrophobicContact CG-CD1 4.39Å; K25-L29 WeakPolarHBondContact O-CG 3.39Å; K25-L29 PolarHBondContact O-N 3.18Å
26E97.8Very high95.5Very high111 Ų111104.4 Ų104.452%0.51951%0.51SS..Hα-helixtrans-64-42.5176.1-73.6-179.6-173.300112.4K22 I23 Y24 L28 L29 K30K22-E26 WeakPolarHBondContact O-CG 3.26Å; K22-E26 PolarHBondContact O-N 3.21Å; I23-E26 PolarHBondContact O-N 3.04Å; Y24-E26 PolarHBondContact O-N 3.4Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 2.73Å; E26-L29 PolarHBondContact O-N 3.4Å; E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 2.89Å
27L97.2Very high95.3Very high99 Ų99105.3 Ų105.352%0.51853%0.532SS..Hα-helixtrans-61.6-42.6175.3-72.5173.6000111.5I23 Y24 K30 Q31I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.47Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 2.94Å; Y24-L27 PolarHBondContact O-N 2.97Å; L27-K30 PolarHBondContact O-N 2.81Å; L27-Q31 VanDerWaalsContact O-CB 3.27Å; L27-Q31 WeakPolarHBondContact O-CB 3.39Å; L27-Q31 PolarHBondContact O-N 2.63Å
28L95.9Very high95.1Very high76 Ų76105 Ų10540%0.39854%0.535SS..Hα-helixtrans-62.2-43174.7-76-179.6000112.2Y24 K25 E26 Q31 A32Y24-L28 HydrophobicContact CD1-CD1 3.88Å; Y24-L28 HydrophobicContact CD1-CG 4.36Å; Y24-L28 HydrophobicContact CE1-CD1 3.41Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.41Å; Y24-L28 HydrophobicContact CE1-CG 4.01Å; Y24-L28 WeakPolarHBondContact O-CG 3.47Å; Y24-L28 PolarHBondContact O-N 2.67Å; K25-L28 PolarHBondContact O-N 3.16Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 2.73Å; L28-Q31 PolarHBondContact O-N 2.83Å; L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 3.21Å
29L96.4Very high94.9Very high115 Ų115107.6 Ų107.660%0.60255%0.545SS*.Hα-helixtrans-63.4-44.6176.4-74.5171.4000111.7K25 E26 A32 G33K25-L29 HydrophobicContact CG-CD1 4.39Å; K25-L29 WeakPolarHBondContact O-CG 3.39Å; K25-L29 PolarHBondContact O-N 3.18Å; E26-L29 PolarHBondContact O-N 3.4Å; L29-A32 PolarHBondContact O-N 3.36Å; L29-G33 PolarHBondContact O-N 3.48Å
30K95.7Very high94.5Very high137 Ų137110 Ų11060%0.59655%0.552SS**Hα-helixtrans-60.1-46.6174.2-73.8178-177.7175.60110.9E26 L27 A32 G33 V34E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 2.89Å; L27-K30 PolarHBondContact O-N 2.81Å; K30-A32 PolarHBondContact O-N 3.11Å; K30-G33 PolarHBondContact O-N 3.28Å; K30-V34 WeakPolarHBondContact O-CG2 3.38Å; K30-V34 PolarHBondContact O-N 3.27Å
31Q95.1Very high94.2Very high87 Ų87109.5 Ų109.541%0.40755%0.552SS.*Hα-helixtrans-63.7-41.1179.4-167.5-177.725.500111.7L27 L28 V34 K35L27-Q31 VanDerWaalsContact O-CB 3.27Å; L27-Q31 WeakPolarHBondContact O-CB 3.39Å; L27-Q31 PolarHBondContact O-N 2.63Å; L28-Q31 PolarHBondContact O-N 2.83Å; Q31-V34 PolarHBondContact O-N 3.46Å; Q31-K35 HydrophobicContact CG-CD 4.03Å; Q31-K35 HydrophobicContact CG-CG 4.37Å; Q31-K35 VanDerWaalsContact O-CB 3.3Å; Q31-K35 WeakPolarHBondContact O-CB 3.4Å; Q31-K35 VanDerWaalsContact O-CG 3.28Å; Q31-K35 WeakPolarHBondContact O-CG 3.39Å; Q31-K35 PolarHBondContact O-N 3.21Å
32A93.7Very high93.8Very high58 Ų58107 Ų10748%0.47955%0.55SS.*Hα-helixtrans-62.5-42.9175.500000111.7L28 L29 K30 K35 R36L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 3.21Å; L29-A32 PolarHBondContact O-N 3.36Å; K30-A32 PolarHBondContact O-N 3.11Å; A32-K35 PolarHBondContact O-N 3.4Å; A32-R36 PolarHBondContact O-N 3.14Å
33G93.7Very high93.2Very high53 Ų53107 Ų10755%0.54656%0.556SS.*Hα-helixtrans-61.1-44.1174.600000113L29 K30 R36L29-G33 PolarHBondContact O-N 3.48Å; K30-G33 PolarHBondContact O-N 3.28Å; G33-R36 WeakPolarHBondContact O-CG 3.48Å
34V92.7Very high92.5Very high78 Ų78108.5 Ų108.547%0.47356%0.564SS.*Hα-helixtrans-67-44177.4173.50000111.5K30 Q31 R36 L41 P42K30-V34 WeakPolarHBondContact O-CG2 3.38Å; K30-V34 PolarHBondContact O-N 3.27Å; Q31-V34 PolarHBondContact O-N 3.46Å; V34-R36 VanDerWaalsContact C-N 3.31Å; V34-R36 PolarHBondContact O-N 3.01Å; V34-L41 HydrophobicContact CG1-CD2 3.67Å; V34-P42 HydrophobicContact CG1-CG 4.34Å; V34-P42 WeakPolarHBondContact O-CD 3.41Å
35K92.7Very high91.7Very high51 Ų51108.6 Ų108.622%0.22257%0.574CS.*Hα-helixtrans-70.1-22.2-180-74.1-178.2177.2-171.90113.6Q31 A32 G37 S38 K39 L41Q31-K35 HydrophobicContact CG-CD 4.03Å; Q31-K35 HydrophobicContact CG-CG 4.37Å; Q31-K35 VanDerWaalsContact O-CB 3.3Å; Q31-K35 WeakPolarHBondContact O-CB 3.4Å; Q31-K35 VanDerWaalsContact O-CG 3.28Å; Q31-K35 WeakPolarHBondContact O-CG 3.39Å; Q31-K35 PolarHBondContact O-N 3.21Å; A32-K35 PolarHBondContact O-N 3.4Å; K35-G37 PolarHBondContact O-N 2.8Å; K35-G37 VanDerWaalsContact O-N 3.07Å; K35-S38 WeakPolarHBondContact CB-O 3.36Å; K35-S38 WeakPolarHBondContact CD-O 3.34Å; K35-S38 PolarHBondContact O-N 2.97Å; K35-S38 PolarHBondContact O-OG 3.47Å; K35-K39 WeakPolarHBondContact CE-O 3.39Å; K35-K39 PolarHBondContact NZ-O 2.91Å; K35-L41 HydrophobicContact CG-CD2 4.18Å
36R90.1Very high91.1Very high229 Ų229104.1 Ų104.186%0.86456%0.555SS**THydrogen-bonded Turntrans50.635-178.2-58.1-177.7176.7-172.2-0.7113.7A32 G33 V34A32-R36 PolarHBondContact O-N 3.14Å; G33-R36 WeakPolarHBondContact O-CG 3.48Å; V34-R36 VanDerWaalsContact C-N 3.31Å; V34-R36 PolarHBondContact O-N 3.01Å
37G89.3Confident90.3Very high81 Ų81100.6 Ų100.684%0.83554%0.542SS*.THydrogen-bonded Turntrans87.4-5-179.400000116.1K35K35-G37 PolarHBondContact O-N 2.8Å; K35-G37 VanDerWaalsContact O-N 3.07Å
38S89.6Confident89.7Confident59 Ų5998.9 Ų98.941%0.41353%0.531SS..  trans-78.8156.2171.1580000112.3K35 F40K35-S38 WeakPolarHBondContact CB-O 3.36Å; K35-S38 WeakPolarHBondContact CD-O 3.34Å; K35-S38 PolarHBondContact O-N 2.97Å; K35-S38 PolarHBondContact O-OG 3.47Å; S38-F40 VanDerWaalsContact C-N 3.3Å; S38-F40 PolarHBondContact OG-O 3.38Å
39K90.9Very high89.2Confident169 Ų169100 Ų10074%0.73553%0.532SS*.SBendtrans-65.2-38.2172.8-172.5176.7-179.7179.80111.5K35K35-K39 WeakPolarHBondContact CE-O 3.39Å; K35-K39 PolarHBondContact NZ-O 2.91Å
40F90Very high88.8Confident145 Ų14598.8 Ų98.864%0.63652%0.522SS*.SBendtrans-96.9161.2-176.7-53.4-71.2000111.6S38S38-F40 VanDerWaalsContact C-N 3.3Å; S38-F40 PolarHBondContact OG-O 3.38Å
41L89.6Confident88.4Confident99 Ų9998.5 Ų98.552%0.51852%0.523SS..PPolyproline II helixtrans-65.6154.2168.1-68.3170.3000109.7V34 K35 I43V34-L41 HydrophobicContact CG1-CD2 3.67Å; K35-L41 HydrophobicContact CG-CD2 4.18Å; L41-I43 PolarHBondContact O-N 3.27Å; L41-I43 VanDerWaalsContact O-N 3.11Å
42P87.7Confident88.1Confident86 Ų86102 Ų10256%0.55853%0.532SS*.PPolyproline II helixtrans-58.8119.4170.525.3-32.9000108.7V34V34-P42 HydrophobicContact CG1-CG 4.34Å; V34-P42 WeakPolarHBondContact O-CD 3.41Å
43I84.8Confident87.6Confident132 Ų132103 Ų10368%0.67753%0.527SS*.PPolyproline II helixtrans-102131174.1-64.1165.8000106.8L41 L45L41-I43 PolarHBondContact O-N 3.27Å; L41-I43 VanDerWaalsContact O-N 3.11Å; I43-L45 PolarHBondContact O-N 3.28Å
44D83Confident87.2Confident121 Ų121104.2 Ų104.265%0.64752%0.515SS*.  trans-72.6112.7170.5-73.3-27.6000108.7E46D44-E46 PolarHBondContact O-N 2.68Å
45L82.8Confident86.9Confident153 Ų153106.8 Ų106.880%0.80153%0.526SS*.  trans-70.6-18.8177-65.7167000112.7I43 P47I43-L45 PolarHBondContact O-N 3.28Å; L45-P47 WeakPolarHBondContact O-CD 3.46Å
46E84.4Confident86.3Confident47 Ų47108.3 Ų108.322%0.2255%0.548CS..SBendtrans-83.7114.8-174.7-176.6176.7-169.100110.9D44 F48 K49 R67 Y70D44-E46 PolarHBondContact O-N 2.68Å; E46-F48 PolarHBondContact O-N 3.12Å; E46-K49 HydrophobicContact CB-CB 4.38Å; E46-K49 HydrophobicContact CG-CB 4.03Å; E46-K49 WeakPolarHBondContact OE2-CB 3.4Å; E46-K49 VanDerWaalsContact OE2-CD 3.3Å; E46-K49 WeakPolarHBondContact OE2-CD 3.28Å; E46-K49 WeakPolarHBondContact OE2-CG 3.46Å; E46-R67 IonicContact OE1-CZ 2.83Å; E46-R67 IonicContact OE1-NH1 2.73Å; E46-R67 PolarHBondContact OE1-NH1 2.77Å; E46-R67 IonicContact OE1-NH2 3.38Å; E46-R67 PolarHBondContact OE1-NH2 2.83Å; E46-Y70 HydrophobicContact CB-CE1 4.26Å; E46-Y70 HydrophobicContact CG-CD1 4.42Å; E46-Y70 HydrophobicContact CG-CE1 3.81Å
47P81.9Confident85.7Confident37 Ų37102.4 Ų102.424%0.2453%0.533CS..THydrogen-bonded Turntrans-64.3123.4173.226.4-32.2000109.3L45 K49 R67 Y70L45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-K49 PolarHBondContact O-N 3.24Å; P47-R67 WeakPolarHBondContact O-CD 3.4Å; P47-Y70 HydrophobicContact CG-CD2 4.41Å; P47-Y70 HydrophobicContact CG-CG 4.16Å
48F84.3Confident85.4Confident63 Ų63104 Ų10428%0.27653%0.529SS..THydrogen-bonded Turntrans52.649.7173.3-49.4-82.7000115.4E46 F50 H53 R54 F59 D63E46-F48 PolarHBondContact O-N 3.12Å; F48-F50 VanDerWaalsContact C-N 3.34Å; F48-F50 PolarHBondContact O-N 3.03Å; F48-H53 HydrophobicContact CD1-CB 4.26Å; F48-R54 HydrophobicContact CB-CG 3.69Å; F48-R54 PolarHBondContact O-NE 3.15Å; F48-F59 HydrophobicContact CB-CE2 4.29Å; F48-F59 HydrophobicContact CD1-CE2 4.38Å; F48-F59 HydrophobicContact CD2-CD2 4.44Å; F48-F59 AromaticContact CD2-CE2 3.6Å; F48-F59 HydrophobicContact CD2-CE2 3.6Å; F48-F59 HydrophobicContact CD2-CZ 4.47Å; F48-F59 AromaticContact CE2-CE2 3.94Å; F48-F59 HydrophobicContact CE2-CE2 3.94Å; F48-F59 HydrophobicContact CG-CD2 4.47Å; F48-F59 AromaticContact CG-CE2 3.84Å; F48-F59 HydrophobicContact CG-CE2 3.84Å; F48-F59 HydrophobicContact CZ-CE2 4.44Å; F48-D63 HydrophobicContact CD2-CB 4.35Å; F48-D63 HydrophobicContact CE2-CB 3.58Å; F48-D63 WeakPolarHBondContact CE2-OD1 3.11Å; F48-D63 HydrophobicContact CZ-CB 3.99Å; F48-D63 WeakPolarHBondContact CZ-OD1 3.34Å
49K84.4Confident85.1Confident99 Ų99103.1 Ų103.143%0.4352%0.518SS..  trans-41.8-54.2177.1176.3167.6-170.6175.30114.4E46 P47E46-K49 HydrophobicContact CB-CB 4.38Å; E46-K49 HydrophobicContact CG-CB 4.03Å; E46-K49 WeakPolarHBondContact OE2-CB 3.4Å; E46-K49 VanDerWaalsContact OE2-CD 3.3Å; E46-K49 WeakPolarHBondContact OE2-CD 3.28Å; E46-K49 WeakPolarHBondContact OE2-CG 3.46Å; P47-K49 PolarHBondContact O-N 3.24Å
50F87.9Confident85.1Confident91 Ų9198.1 Ų98.140%0.39950%0.501SS..SBendtrans-84.9138.6-176.2-52.6-68.6000112F48 R52 H53F48-F50 VanDerWaalsContact C-N 3.34Å; F48-F50 PolarHBondContact O-N 3.03Å; F50-R52 HydrophobicContact CB-CG 3.79Å; F50-R52 PolarHBondContact O-N 3.37Å; F50-H53 AromaticContact CD2-CD2 3.66Å; F50-H53 AromaticContact CD2-NE2 3.55Å; F50-H53 PolarHBondContact O-N 3.29Å; F50-H53 VanDerWaalsContact O-N 3.13Å
51Q87.5Confident85.2Confident130 Ų13096.7 Ų96.761%0.60750%0.5SS*.Hα-helixtrans-56.8-36176.4-169.7173.62.100112.6H53 R54 L55Q51-H53 VanDerWaalsContact C-N 3.31Å; Q51-H53 PolarHBondContact O-N 3.13Å; Q51-R54 WeakPolarHBondContact O-CA 3.4Å; Q51-R54 WeakPolarHBondContact O-CB 3.47Å; Q51-R54 PolarHBondContact O-N 2.77Å; Q51-L55 HydrophobicContact CG-CD1 3.96Å; Q51-L55 HydrophobicContact CG-CG 4.32Å; Q51-L55 WeakPolarHBondContact O-CG 3.12Å; Q51-L55 PolarHBondContact O-N 3.16Å; Q51-L55 VanDerWaalsContact O-N 3.12Å
52R88.4Confident85.3Confident160 Ų16099.7 Ų99.760%0.60451%0.512SS*.Hα-helixtrans-56.1-38.8175.861.6-179.4155.2-159.8-9.1113.9F50 R54 L55 A56F50-R52 HydrophobicContact CB-CG 3.79Å; F50-R52 PolarHBondContact O-N 3.37Å; R52-R54 PolarHBondContact O-N 3.23Å; R52-L55 PolarHBondContact O-N 3.24Å; R52-L55 VanDerWaalsContact O-N 3.16Å; R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.36Å
53H84.8Confident85.5Confident79 Ų7997.8 Ų97.837%0.36650%0.497SS..Hα-helixtrans-70-27.3179.4-63.3-60.6000111.8F48 F50 Q51 L55F48-H53 HydrophobicContact CD1-CB 4.26Å; F50-H53 AromaticContact CD2-CD2 3.66Å; F50-H53 AromaticContact CD2-NE2 3.55Å; F50-H53 PolarHBondContact O-N 3.29Å; F50-H53 VanDerWaalsContact O-N 3.13Å; Q51-H53 VanDerWaalsContact C-N 3.31Å; Q51-H53 PolarHBondContact O-N 3.13Å; H53-L55 VanDerWaalsContact C-N 3.33Å
54R85.5Confident85.7Confident79 Ų7997.7 Ų97.730%0.29849%0.488SS..Hα-helixtrans-78.2-17.6174.8-60.6179.4-86.5165.1-1.5113F48 Q51 R52 F59F48-R54 HydrophobicContact CB-CG 3.69Å; F48-R54 PolarHBondContact O-NE 3.15Å; Q51-R54 WeakPolarHBondContact O-CA 3.4Å; Q51-R54 WeakPolarHBondContact O-CB 3.47Å; Q51-R54 PolarHBondContact O-N 2.77Å; R52-R54 PolarHBondContact O-N 3.23Å; R54-F59 HydrophobicContact CB-CD1 4.25Å; R54-F59 HydrophobicContact CB-CD2 4.48Å; R54-F59 HydrophobicContact CB-CE1 4.3Å; R54-F59 HydrophobicContact CB-CG 4.34Å; R54-F59 HydrophobicContact CG-CD2 4.35Å; R54-F59 HydrophobicContact CG-CE1 4.17Å; R54-F59 HydrophobicContact CG-CE2 4.02Å; R54-F59 HydrophobicContact CG-CZ 3.95Å; R54-F59 WeakPolarHBondContact O-CB 3.21Å
55L85.2Confident86.2Confident132 Ų13294.7 Ų94.769%0.69148%0.48SS*.Hα-helixtrans-105.9-34.3-178.8-66.8178.2000113.2Q51 R52 H53Q51-L55 HydrophobicContact CG-CD1 3.96Å; Q51-L55 HydrophobicContact CG-CG 4.32Å; Q51-L55 WeakPolarHBondContact O-CG 3.12Å; Q51-L55 PolarHBondContact O-N 3.16Å; Q51-L55 VanDerWaalsContact O-N 3.12Å; R52-L55 PolarHBondContact O-N 3.24Å; R52-L55 VanDerWaalsContact O-N 3.16Å; H53-L55 VanDerWaalsContact C-N 3.33Å
56A79.6Confident86.6Confident84 Ų8489.5 Ų89.569%0.69446%0.459SS*.Hα-helixtrans-87.9-22.8-171.800000113.7R52R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.36Å
57L78.3Confident86.9Confident105 Ų10588.4 Ų88.455%0.5545%0.453SS..SBendtrans-109.6152.7174.1-68.2169.7000108.9F59L57-F59 PolarHBondContact O-N 3.09Å
58P82.1Confident87.4Confident115 Ų11593.1 Ų93.175%0.74747%0.469SS*.  trans-57.8106.7170.725.2-33.2000108.8T60P58-T60 PolarHBondContact O-N 3.21Å
59F84.7Confident87.9Confident40 Ų4096 Ų9618%0.17548%0.484CS..  trans-87.397.4-179.4-168.8-132.7000108.9F48 R54 L57 D63 R64 R67F48-F59 HydrophobicContact CB-CE2 4.29Å; F48-F59 HydrophobicContact CD1-CE2 4.38Å; F48-F59 HydrophobicContact CD2-CD2 4.44Å; F48-F59 AromaticContact CD2-CE2 3.6Å; F48-F59 HydrophobicContact CD2-CE2 3.6Å; F48-F59 HydrophobicContact CD2-CZ 4.47Å; F48-F59 AromaticContact CE2-CE2 3.94Å; F48-F59 HydrophobicContact CE2-CE2 3.94Å; F48-F59 HydrophobicContact CG-CD2 4.47Å; F48-F59 AromaticContact CG-CE2 3.84Å; F48-F59 HydrophobicContact CG-CE2 3.84Å; F48-F59 HydrophobicContact CZ-CE2 4.44Å; R54-F59 HydrophobicContact CB-CD1 4.25Å; R54-F59 HydrophobicContact CB-CD2 4.48Å; R54-F59 HydrophobicContact CB-CE1 4.3Å; R54-F59 HydrophobicContact CB-CG 4.34Å; R54-F59 HydrophobicContact CG-CD2 4.35Å; R54-F59 HydrophobicContact CG-CE1 4.17Å; R54-F59 HydrophobicContact CG-CE2 4.02Å; R54-F59 HydrophobicContact CG-CZ 3.95Å; R54-F59 WeakPolarHBondContact O-CB 3.21Å; L57-F59 PolarHBondContact O-N 3.09Å; F59-D63 HydrophobicContact CD2-CB 3.6Å; F59-D63 HydrophobicContact CE2-CB 3.4Å; F59-D63 HydrophobicContact CZ-CB 4.21Å; F59-R64 HydrophobicContact CD1-CG 3.8Å; F59-R64 HydrophobicContact CE1-CB 4.14Å; F59-R64 HydrophobicContact CE1-CG 3.35Å; F59-R64 HydrophobicContact CZ-CB 4.49Å; F59-R64 HydrophobicContact CZ-CG 4.12Å; F59-R64 PolarHBondContact O-NH2 3.44Å; F59-R67 HydrophobicContact CZ-CB 4.33Å
60T91.1Very high88.3Confident64 Ų6494 Ų9439%0.39347%0.474SS..  trans-63.3159.9-174.768.60000111.3P58 E62 D63 R64P58-T60 PolarHBondContact O-N 3.21Å; T60-E62 PolarHBondContact O-N 3.11Å; T60-D63 PolarHBondContact N-OD2 3.4Å; T60-D63 PolarHBondContact O-N 2.69Å; T60-D63 PolarHBondContact OG1-N 3.48Å; T60-D63 VanDerWaalsContact OG1-N 3.16Å; T60-D63 PolarHBondContact OG1-OD2 3.31Å; T60-R64 PolarHBondContact O-N 3.13Å; T60-R64 VanDerWaalsContact O-N 3.1Å
61D91.5Very high88.5Confident114 Ų11493.8 Ų93.861%0.6148%0.477SS*.Hα-helixtrans-62.9-32.6175.8-72-29.7000111.6R64 A65D61-R64 VanDerWaalsContact O-CB 3.3Å; D61-R64 WeakPolarHBondContact O-CB 3.3Å; D61-R64 PolarHBondContact O-N 3.07Å; D61-R64 IonicContact OD1-CZ 2.66Å; D61-R64 IonicContact OD1-NE 2.63Å; D61-R64 IonicContact OD1-NH1 3.89Å; D61-R64 PolarHBondContact OD1-NH1 3.28Å; D61-R64 IonicContact OD1-NH2 2.87Å; D61-R64 PolarHBondContact OD1-NH2 3.07Å; D61-A65 PolarHBondContact O-N 3.26Å
62E91.4Very high88.8Confident163 Ų16393.6 Ų93.676%0.76247%0.474SS*.Hα-helixtrans-64.4-46.6175-63.5-173.9172.400111.6T60 R64 A65 A66T60-E62 PolarHBondContact O-N 3.11Å; E62-R64 VanDerWaalsContact C-N 3.25Å; E62-R64 PolarHBondContact O-N 3.2Å; E62-A65 WeakPolarHBondContact O-CB 3.44Å; E62-A65 PolarHBondContact O-N 3.47Å; E62-A65 VanDerWaalsContact O-N 3.13Å; E62-A66 PolarHBondContact O-N 2.91Å
63D91Very high88.9Confident45 Ų4591.2 Ų91.224%0.24147%0.473CS..Hα-helixtrans-60.8-37.4175.6-66-44000111.8F48 F59 T60 R67F48-D63 HydrophobicContact CD2-CB 4.35Å; F48-D63 HydrophobicContact CE2-CB 3.58Å; F48-D63 WeakPolarHBondContact CE2-OD1 3.11Å; F48-D63 HydrophobicContact CZ-CB 3.99Å; F48-D63 WeakPolarHBondContact CZ-OD1 3.34Å; F59-D63 HydrophobicContact CD2-CB 3.6Å; F59-D63 HydrophobicContact CE2-CB 3.4Å; F59-D63 HydrophobicContact CZ-CB 4.21Å; T60-D63 PolarHBondContact N-OD2 3.4Å; T60-D63 PolarHBondContact O-N 2.69Å; T60-D63 PolarHBondContact OG1-N 3.48Å; T60-D63 VanDerWaalsContact OG1-N 3.16Å; T60-D63 PolarHBondContact OG1-OD2 3.31Å; D63-R67 WeakPolarHBondContact O-CB 3.33Å; D63-R67 PolarHBondContact O-N 3.29Å
64R90.6Very high89.2Confident130 Ų13092.5 Ų92.549%0.49148%0.479SS..Hα-helixtrans-61.4-45.9174.1-118.5179.1-76.1146.66.7111.6F59 T60 D61 E62 R67 K68F59-R64 HydrophobicContact CD1-CG 3.8Å; F59-R64 HydrophobicContact CE1-CB 4.14Å; F59-R64 HydrophobicContact CE1-CG 3.35Å; F59-R64 HydrophobicContact CZ-CB 4.49Å; F59-R64 HydrophobicContact CZ-CG 4.12Å; F59-R64 PolarHBondContact O-NH2 3.44Å; T60-R64 PolarHBondContact O-N 3.13Å; T60-R64 VanDerWaalsContact O-N 3.1Å; D61-R64 VanDerWaalsContact O-CB 3.3Å; D61-R64 WeakPolarHBondContact O-CB 3.3Å; D61-R64 PolarHBondContact O-N 3.07Å; D61-R64 IonicContact OD1-CZ 2.66Å; D61-R64 IonicContact OD1-NE 2.63Å; D61-R64 IonicContact OD1-NH1 3.89Å; D61-R64 PolarHBondContact OD1-NH1 3.28Å; D61-R64 IonicContact OD1-NH2 2.87Å; D61-R64 PolarHBondContact OD1-NH2 3.07Å; E62-R64 VanDerWaalsContact C-N 3.25Å; E62-R64 PolarHBondContact O-N 3.2Å; R64-R67 PolarHBondContact O-N 3.01Å; R64-K68 WeakPolarHBondContact O-CB 3.5Å; R64-K68 PolarHBondContact O-N 3.25Å
65A92.7Very high89.4Confident58 Ų5895.3 Ų95.348%0.47950%0.5SS..Hα-helixtrans-64.7-45.6178.700000111.4D61 E62 R67 K68 Q69D61-A65 PolarHBondContact O-N 3.26Å; E62-A65 WeakPolarHBondContact O-CB 3.44Å; E62-A65 PolarHBondContact O-N 3.47Å; E62-A65 VanDerWaalsContact O-N 3.13Å; A65-R67 PolarHBondContact O-N 3.37Å; A65-K68 PolarHBondContact O-N 3.35Å; A65-Q69 WeakPolarHBondContact O-CB 3.48Å; A65-Q69 PolarHBondContact O-N 2.91Å
66A90.5Very high89.3Confident44 Ų4495.1 Ų95.136%0.36450%0.498SS..Hα-helixtrans-59.9-43.8176.900000111.9E62 Q69 Y70E62-A66 PolarHBondContact O-N 2.91Å; A66-Q69 PolarHBondContact O-N 3.16Å; A66-Y70 WeakPolarHBondContact O-CB 3.49Å; A66-Y70 PolarHBondContact O-N 3.45Å
67R91.3Very high89.7Confident24 Ų2494.2 Ų94.29%0.09149%0.487CS..Hα-helixtrans-64.7-41.6175.4178.754.4171.7163.6-3.3112.5E46 P47 F59 D63 R64 A65 Q69 Y70 L71E46-R67 IonicContact OE1-CZ 2.83Å; E46-R67 IonicContact OE1-NH1 2.73Å; E46-R67 PolarHBondContact OE1-NH1 2.77Å; E46-R67 IonicContact OE1-NH2 3.38Å; E46-R67 PolarHBondContact OE1-NH2 2.83Å; P47-R67 WeakPolarHBondContact O-CD 3.4Å; F59-R67 HydrophobicContact CZ-CB 4.33Å; D63-R67 WeakPolarHBondContact O-CB 3.33Å; D63-R67 PolarHBondContact O-N 3.29Å; R64-R67 PolarHBondContact O-N 3.01Å; A65-R67 PolarHBondContact O-N 3.37Å; R67-Q69 VanDerWaalsContact C-N 3.33Å; R67-Y70 PolarHBondContact O-N 3.15Å; R67-L71 HydrophobicContact CG-CD1 4.49Å; R67-L71 WeakPolarHBondContact O-CG 3.46Å; R67-L71 PolarHBondContact O-N 3.47Å
68K92.6Very high89.9Confident136 Ų13699 Ų9959%0.59151%0.507SS*.Hα-helixtrans-63.4-41177.3-174.4179.9-177.4178.60111.3R64 A65 L71 K72R64-K68 WeakPolarHBondContact O-CB 3.5Å; R64-K68 PolarHBondContact O-N 3.25Å; A65-K68 PolarHBondContact O-N 3.35Å; K68-L71 PolarHBondContact O-N 3.46Å; K68-K72 WeakPolarHBondContact O-CG 3.12Å; K68-K72 PolarHBondContact O-N 3.18Å; K68-K72 VanDerWaalsContact O-N 3.1Å
69Q93.9Very high89.9Confident123 Ų123103.6 Ų103.658%0.57551%0.509SS*.Hα-helixtrans-62.5-50.3174.6-177.2173.55.500110.7A65 A66 R67 L71 K72 D73A65-Q69 WeakPolarHBondContact O-CB 3.48Å; A65-Q69 PolarHBondContact O-N 2.91Å; A66-Q69 PolarHBondContact O-N 3.16Å; R67-Q69 VanDerWaalsContact C-N 3.33Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.37Å; Q69-K72 WeakPolarHBondContact O-CA 3.37Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.49Å; Q69-D73 PolarHBondContact O-N 2.63Å
70Y92.7Very high89.7Confident57 Ų57106.1 Ų106.122%0.22452%0.522CS..Hα-helixtrans-53-44.5176.5178.2-87.9000112.6E46 P47 A66 R67 K72 D73 Q74E46-Y70 HydrophobicContact CB-CE1 4.26Å; E46-Y70 HydrophobicContact CG-CD1 4.42Å; E46-Y70 HydrophobicContact CG-CE1 3.81Å; P47-Y70 HydrophobicContact CG-CD2 4.41Å; P47-Y70 HydrophobicContact CG-CG 4.16Å; A66-Y70 WeakPolarHBondContact O-CB 3.49Å; A66-Y70 PolarHBondContact O-N 3.45Å; R67-Y70 PolarHBondContact O-N 3.15Å; Y70-K72 VanDerWaalsContact C-N 3.35Å; Y70-K72 PolarHBondContact O-N 2.63Å; Y70-D73 PolarHBondContact O-N 3.01Å; Y70-Q74 HydrophobicContact CD1-CG 4.26Å; Y70-Q74 HydrophobicContact CE1-CG 3.9Å; Y70-Q74 WeakPolarHBondContact O-CG 3.29Å; Y70-Q74 PolarHBondContact O-N 2.93Å; Y70-Q74 VanDerWaalsContact O-N 3.13Å
71L92.7Very high89Confident88 Ų88108.3 Ų108.346%0.46154%0.537SS..Hα-helixtrans-66.7-34.5178.4-71.3174.8000113R67 K68 Q69 Q74R67-L71 HydrophobicContact CG-CD1 4.49Å; R67-L71 WeakPolarHBondContact O-CG 3.46Å; R67-L71 PolarHBondContact O-N 3.47Å; K68-L71 PolarHBondContact O-N 3.46Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.37Å; L71-Q74 PolarHBondContact O-N 2.83Å
72K93.6Very high88.4Confident126 Ų126106.8 Ų106.855%0.54853%0.531SS..Hα-helixtrans-67.2-39.7172.3-73.7178.5173.5-170.10111.2K68 Q69 Y70 Q74 L75K68-K72 WeakPolarHBondContact O-CG 3.12Å; K68-K72 PolarHBondContact O-N 3.18Å; K68-K72 VanDerWaalsContact O-N 3.1Å; Q69-K72 WeakPolarHBondContact O-CA 3.37Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.49Å; Y70-K72 VanDerWaalsContact C-N 3.35Å; Y70-K72 PolarHBondContact O-N 2.63Å; K72-Q74 PolarHBondContact O-N 2.88Å; K72-L75 VanDerWaalsContact O-CB 3.31Å; K72-L75 WeakPolarHBondContact O-CB 3.33Å; K72-L75 PolarHBondContact O-N 3.42Å
73D91.8Very high87.7Confident109 Ų109104 Ų10458%0.58352%0.521SS*.Hα-helixtrans-68-17.8178.3-59.1-18.7000112.2Q69 Y70 L75Q69-D73 PolarHBondContact O-N 2.63Å; Y70-D73 PolarHBondContact O-N 3.01Å; D73-L75 VanDerWaalsContact C-N 3.34Å
74Q90.2Very high87.2Confident106 Ų106104 Ų10450%0.49552%0.523SS..THydrogen-bonded Turntrans-79.7-11.7169.9-62.7-50.4-60.200113.6Y70 L71 K72 L76Y70-Q74 HydrophobicContact CD1-CG 4.26Å; Y70-Q74 HydrophobicContact CE1-CG 3.9Å; Y70-Q74 WeakPolarHBondContact O-CG 3.29Å; Y70-Q74 PolarHBondContact O-N 2.93Å; Y70-Q74 VanDerWaalsContact O-N 3.13Å; L71-Q74 PolarHBondContact O-N 2.83Å; K72-Q74 PolarHBondContact O-N 2.88Å; Q74-L76 PolarHBondContact O-N 2.78Å
75L89.7Confident86.5Confident139 Ų139102.6 Ų102.673%0.72853%0.531SS*.SBendtrans-74.3114.3174.2-67.9173.6000108.8K72 D73K72-L75 VanDerWaalsContact O-CB 3.31Å; K72-L75 WeakPolarHBondContact O-CB 3.33Å; K72-L75 PolarHBondContact O-N 3.42Å; D73-L75 VanDerWaalsContact C-N 3.34Å
76L84.1Confident85.9Confident127 Ų127107 Ų10767%0.66554%0.541SS*.  trans-64.9151.1174.9-73.395.1000110.5Q74 E80Q74-L76 PolarHBondContact O-N 2.78Å; L76-E80 WeakPolarHBondContact CA-OE2 3.42Å; L76-E80 HydrophobicContact CB-CB 4.08Å; L76-E80 VanDerWaalsContact CB-OE2 3.26Å; L76-E80 WeakPolarHBondContact CB-OE2 3.49Å; L76-E80 HydrophobicContact CD2-CB 3.81Å; L76-E80 HydrophobicContact CD2-CG 4.5Å
77S86.1Confident85.2Confident66 Ų66115 Ų11546%0.46256%0.562SS.*  trans-66.9154.1174.365.90000110.7R79 E80S77-R79 PolarHBondContact O-N 3.07Å; S77-E80 PolarHBondContact N-OE2 3.03Å; S77-E80 WeakPolarHBondContact O-CB 3.35Å; S77-E80 PolarHBondContact O-N 3.01Å; S77-E80 WeakPolarHBondContact OG-CG 3.46Å; S77-E80 PolarHBondContact OG-OE2 2.98Å
78E83.1Confident84.4Confident205 Ų205118.8 Ų118.896%0.95859%0.585SS**THydrogen-bonded Turntrans-58.7-21.2-179.7-63.5-179.9178.400113.7E80E78-E80 VanDerWaalsContact C-N 3.31Å
79R83.1Confident83.9Confident212 Ų212122.5 Ų122.580%0.860%0.595SS**THydrogen-bonded Turntrans-75.1-20.4176.9-176175.2178.7-1770.9112.9S77 V82S77-R79 PolarHBondContact O-N 3.07Å; R79-V82 HydrophobicContact CG-CG2 4.14Å
80E80.6Confident83.4Confident93 Ų93118.2 Ų118.244%0.43558%0.577SS.*PPolyproline II helixtrans-89.3146.6-176.2-70.8170.715100111.2L76 S77 E78 V82L76-E80 WeakPolarHBondContact CA-OE2 3.42Å; L76-E80 HydrophobicContact CB-CB 4.08Å; L76-E80 VanDerWaalsContact CB-OE2 3.26Å; L76-E80 WeakPolarHBondContact CB-OE2 3.49Å; L76-E80 HydrophobicContact CD2-CB 3.81Å; L76-E80 HydrophobicContact CD2-CG 4.5Å; S77-E80 PolarHBondContact N-OE2 3.03Å; S77-E80 WeakPolarHBondContact O-CB 3.35Å; S77-E80 PolarHBondContact O-N 3.01Å; S77-E80 WeakPolarHBondContact OG-CG 3.46Å; S77-E80 PolarHBondContact OG-OE2 2.98Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E80-V82 HydrophobicContact CG-CG2 4.49Å
81P76.4Confident83.3Confident110 Ų110121 Ų12171%0.71460%0.596SS**PPolyproline II helixcis-86.7126.511.931.7-33.8000114.4
82V79Confident83.2Confident82 Ų82122.4 Ų122.450%0.49760%0.602SS.*PPolyproline II helixtrans-83.3118.5171.7-178.70000109.5R79 E80 V84R79-V82 HydrophobicContact CG-CG2 4.14Å; E80-V82 HydrophobicContact CG-CG2 4.49Å; V82-V84 HydrophobicContact CG1-CG2 4.23Å; V82-V84 PolarHBondContact O-N 3.33Å; V82-V84 VanDerWaalsContact O-N 3.11Å
83N75.9Confident83.2Confident103 Ų103124 Ų12455%0.55161%0.61SS**  trans-77.897.3176.2-174.219.1000110.7P85N83-P85 WeakPolarHBondContact O-CD 3.44Å
84V81Confident83Confident45 Ų45124.2 Ų124.227%0.27360%0.603SS.*  trans-86.9113.4173.5-176.10000109.6V82 E86 W87V82-V84 HydrophobicContact CG1-CG2 4.23Å; V82-V84 PolarHBondContact O-N 3.33Å; V82-V84 VanDerWaalsContact O-N 3.11Å; V84-E86 HydrophobicContact CG1-CB 4.13Å; V84-E86 PolarHBondContact O-N 3.39Å; V84-W87 HydrophobicContact CB-CD2 4.35Å; V84-W87 HydrophobicContact CB-CE3 4.49Å; V84-W87 HydrophobicContact CB-CG 4.47Å; V84-W87 HydrophobicContact CG1-CD2 4.42Å; V84-W87 HydrophobicContact CG1-CG 4.29Å; V84-W87 PolarHBondContact O-N 3.39Å
85P76.4Confident82.9Confident102 Ų102126.1 Ų126.166%0.66261%0.605SS**THydrogen-bonded Turntrans-65.9-26.7-177.324.9-32.8000113.1N83 W87 N88N83-P85 WeakPolarHBondContact O-CD 3.44Å; P85-W87 PolarHBondContact O-N 3.03Å; P85-N88 PolarHBondContact O-N 3.34Å
86E78.4Confident83Confident149 Ų149124.9 Ų124.970%0.69660%0.598SS**THydrogen-bonded Turntrans-69.9-28.8-176.4-60-179.6-179.900113.9V84 R89V84-E86 HydrophobicContact CG1-CB 4.13Å; V84-E86 PolarHBondContact O-N 3.39Å; E86-R89 WeakPolarHBondContact O-CG 3.28Å
87W76.9Confident83.2Confident212 Ų212125 Ų12580%0.80359%0.591SS**THydrogen-bonded Turntrans-80.2-24179.6-67.8-3.9000112.3V84 P85 R89V84-W87 HydrophobicContact CB-CD2 4.35Å; V84-W87 HydrophobicContact CB-CE3 4.49Å; V84-W87 HydrophobicContact CB-CG 4.47Å; V84-W87 HydrophobicContact CG1-CD2 4.42Å; V84-W87 HydrophobicContact CG1-CG 4.29Å; V84-W87 PolarHBondContact O-N 3.39Å; P85-W87 PolarHBondContact O-N 3.03Å; W87-R89 PolarHBondContact O-N 2.94Å; W87-R89 VanDerWaalsContact O-N 3.09Å
88N75.3Confident83.3Confident104 Ų104125.5 Ų125.556%0.55658%0.582SS**  trans-87.449.3176.1-70.5-44.1000111.4P85 V90P85-N88 PolarHBondContact O-N 3.34Å; N88-V90 WeakPolarHBondContact O-CG2 3.39Å; N88-V90 PolarHBondContact O-N 3.34Å
89R80.5Confident83.7Confident215 Ų215122.4 Ų122.481%0.81157%0.57SS**  trans-70.9115.9173.3-81.1-172-63.6161.1-0.5110.1E86 W87E86-R89 WeakPolarHBondContact O-CG 3.28Å; W87-R89 PolarHBondContact O-N 2.94Å; W87-R89 VanDerWaalsContact O-N 3.09Å
90V83.9Confident84.1Confident32 Ų32116.2 Ų116.219%0.19456%0.557CS.*  trans-116.4144.3179.7-165.70000111N88 R94 R95N88-V90 WeakPolarHBondContact O-CG2 3.39Å; N88-V90 PolarHBondContact O-N 3.34Å; V90-R94 HydrophobicContact CG1-CB 3.55Å; V90-R94 HydrophobicContact CG1-CG 3.26Å; V90-R95 HydrophobicContact CB-CG 4.27Å; V90-R95 PolarHBondContact O-NE 3.24Å
91N90.9Very high84.6Confident116 Ų116113.8 Ų113.862%0.6255%0.545SS*.  trans-51.1146173.1-63.5-1.8000111.7F93 R94 R95N91-F93 PolarHBondContact O-N 3.36Å; N91-R94 HydrophobicContact CB-CB 4.5Å; N91-R94 CarbonylContact O-C 3.45Å; N91-R94 WeakPolarHBondContact O-CA 3.29Å; N91-R94 PolarHBondContact O-N 2.97Å; N91-R95 PolarHBondContact O-N 3.27Å
92I91.1Very high85.3Confident117 Ų117110.5 Ų110.560%0.652%0.521SS*.Hα-helixtrans-56-46.7-174.6-167.2165000113.3R94 R95 I96I92-R94 PolarHBondContact O-N 3.02Å; I92-R95 WeakPolarHBondContact O-CA 3.3Å; I92-R95 WeakPolarHBondContact O-CB 3.44Å; I92-R95 PolarHBondContact O-N 3.06Å; I92-I96 HydrophobicContact CG1-CD1 4.47Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 3.42Å
93F92.3Very high85.9Confident161 Ų161109.2 Ų109.271%0.70652%0.519SS*.Hα-helixtrans-58.6-38.6176.5-61-67.1000112.2N91 R95 I96 Y97N91-F93 PolarHBondContact O-N 3.36Å; F93-R95 VanDerWaalsContact C-N 3.32Å; F93-R95 PolarHBondContact O-N 3.47Å; F93-I96 PolarHBondContact O-N 3.06Å; F93-Y97 WeakPolarHBondContact O-CD1 3.47Å; F93-Y97 PolarHBondContact O-N 3.3Å
94R88.9Confident86.7Confident113 Ų113107.7 Ų107.743%0.42651%0.511SS..Hα-helixtrans-72.8-24.2177.3179.2176.5-39152.1-5.6112.9V90 N91 I92 Y97 R98V90-R94 HydrophobicContact CG1-CB 3.55Å; V90-R94 HydrophobicContact CG1-CG 3.26Å; N91-R94 HydrophobicContact CB-CB 4.5Å; N91-R94 CarbonylContact O-C 3.45Å; N91-R94 WeakPolarHBondContact O-CA 3.29Å; N91-R94 PolarHBondContact O-N 2.97Å; I92-R94 PolarHBondContact O-N 3.02Å; R94-Y97 HydrophobicContact CB-CD1 4.47Å; R94-Y97 HydrophobicContact CB-CE1 3.65Å; R94-Y97 WeakPolarHBondContact CD-OH 3.17Å; R94-Y97 HydrophobicContact CG-CE1 3.86Å; R94-Y97 HydrophobicContact CG-CE2 4.27Å; R94-Y97 WeakPolarHBondContact CG-OH 3.39Å; R94-Y97 PolarHBondContact NE-OH 3.3Å; R94-R98 HydrophobicContact CG-CG 4.36Å; R94-R98 VanDerWaalsContact O-CB 3.26Å; R94-R98 WeakPolarHBondContact O-CB 3.13Å; R94-R98 WeakPolarHBondContact O-CD 3.26Å; R94-R98 WeakPolarHBondContact O-CG 3.11Å; R94-R98 PolarHBondContact O-N 2.97Å
95R88.2Confident87.1Confident146 Ų146105.9 Ų105.955%0.55150%0.5SS*.Hα-helixtrans-69-45.9168-62.3-178.6-173.8-157.2-2.3111.2V90 N91 I92 F93 R98 M99V90-R95 HydrophobicContact CB-CG 4.27Å; V90-R95 PolarHBondContact O-NE 3.24Å; N91-R95 PolarHBondContact O-N 3.27Å; I92-R95 WeakPolarHBondContact O-CA 3.3Å; I92-R95 WeakPolarHBondContact O-CB 3.44Å; I92-R95 PolarHBondContact O-N 3.06Å; F93-R95 VanDerWaalsContact C-N 3.32Å; F93-R95 PolarHBondContact O-N 3.47Å; R95-R98 PolarHBondContact O-N 3.25Å; R95-M99 PolarHBondContact O-N 3.5Å
96I91.8Very high87.7Confident112 Ų112105.6 Ų105.657%0.57449%0.493SS*.Hα-helixtrans-59.7-54.3-175.7-63168.2000111I92 F93 R98 M99I92-I96 HydrophobicContact CG1-CD1 4.47Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 3.42Å; F93-I96 PolarHBondContact O-N 3.06Å; I96-R98 VanDerWaalsContact C-N 3.26Å; I96-R98 PolarHBondContact O-N 2.98Å; I96-M99 WeakPolarHBondContact O-CB 3.2Å; I96-M99 PolarHBondContact O-N 2.97Å
97Y87.3Confident88.4Confident131 Ų131105 Ų10551%0.51449%0.493SS..Hα-helixtrans-71.5-20.5-177.173.9-111.8000113.6F93 R94 F101F93-Y97 WeakPolarHBondContact O-CD1 3.47Å; F93-Y97 PolarHBondContact O-N 3.3Å; R94-Y97 HydrophobicContact CB-CD1 4.47Å; R94-Y97 HydrophobicContact CB-CE1 3.65Å; R94-Y97 WeakPolarHBondContact CD-OH 3.17Å; R94-Y97 HydrophobicContact CG-CE1 3.86Å; R94-Y97 HydrophobicContact CG-CE2 4.27Å; R94-Y97 WeakPolarHBondContact CG-OH 3.39Å; R94-Y97 PolarHBondContact NE-OH 3.3Å; Y97-F101 WeakPolarHBondContact O-CD2 3.48Å
98R89.5Confident89.1Confident76 Ų7696.5 Ų96.529%0.28747%0.465SS..Hα-helixtrans-83-28.8177.1-74.2172.273.6159.1-4.4112.5R94 R95 I96 F101 D102 R121R94-R98 HydrophobicContact CG-CG 4.36Å; R94-R98 VanDerWaalsContact O-CB 3.26Å; R94-R98 WeakPolarHBondContact O-CB 3.13Å; R94-R98 WeakPolarHBondContact O-CD 3.26Å; R94-R98 WeakPolarHBondContact O-CG 3.11Å; R94-R98 PolarHBondContact O-N 2.97Å; R95-R98 PolarHBondContact O-N 3.25Å; I96-R98 VanDerWaalsContact C-N 3.26Å; I96-R98 PolarHBondContact O-N 2.98Å; R98-F101 PolarHBondContact O-N 3Å; R98-D102 WeakPolarHBondContact O-CB 3.47Å; R98-D102 VanDerWaalsContact O-CG 3.23Å; R98-D102 PolarHBondContact O-N 3.45Å; R98-R121 VanDerWaalsContact CZ-NH2 3.27Å; R98-R121 VanDerWaalsContact NH2-NE 3.18Å
99M89.9Confident89.7Confident140 Ų14095.3 Ų95.369%0.6945%0.452SS*.Hα-helixtrans-45.9-50.3-175.6-173.7177.4177.200115R95 I96 F101 D102 A103R95-M99 PolarHBondContact O-N 3.5Å; I96-M99 WeakPolarHBondContact O-CB 3.2Å; I96-M99 PolarHBondContact O-N 2.97Å; M99-F101 PolarHBondContact O-N 3.33Å; M99-D102 PolarHBondContact O-N 2.88Å; M99-A103 PolarHBondContact O-N 3.37Å; M99-A103 VanDerWaalsContact O-N 3.15Å
100P92Very high90.2Very high81 Ų8190.1 Ų90.153%0.52645%0.447SS..Hα-helixtrans-66.7-39.1-179.725.3-34.4000112.7D102 A103 L104P100-D102 VanDerWaalsContact C-N 3.34Å; P100-A103 PolarHBondContact O-N 2.95Å; P100-L104 PolarHBondContact O-N 3.47Å
101F91.5Very high90.6Very high43 Ų4395.6 Ų95.619%0.18947%0.473CS..Hα-helixtrans-71.2-32.5178.2-62.9-72.1000112.2Y97 R98 M99 L104 T105 I124 P125 T128Y97-F101 WeakPolarHBondContact O-CD2 3.48Å; R98-F101 PolarHBondContact O-N 3Å; M99-F101 PolarHBondContact O-N 3.33Å; F101-L104 PolarHBondContact O-N 3.38Å; F101-T105 WeakPolarHBondContact O-CB 3.41Å; F101-T105 WeakPolarHBondContact O-CG2 3.46Å; F101-T105 PolarHBondContact O-N 2.83Å; F101-T105 PolarHBondContact O-OG1 3.02Å; F101-I124 HydrophobicContact CD1-CG2 3.68Å; F101-I124 HydrophobicContact CE1-CG2 3.76Å; F101-P125 HydrophobicContact CB-CG 4.12Å; F101-P125 HydrophobicContact CD1-CG 4.12Å; F101-P125 HydrophobicContact CD2-CB 4.09Å; F101-P125 HydrophobicContact CD2-CG 4.02Å; F101-P125 HydrophobicContact CE2-CB 4.11Å; F101-P125 HydrophobicContact CE2-CG 4.49Å; F101-P125 HydrophobicContact CG-CB 4.31Å; F101-P125 HydrophobicContact CG-CG 3.81Å; F101-P125 HydrophobicContact CZ-CB 4.34Å; F101-T128 HydrophobicContact CE1-CG2 4.05Å; F101-T128 WeakPolarHBondContact CE1-OG1 3.33Å; F101-T128 VanDerWaalsContact CZ-OG1 3.25Å; F101-T128 WeakPolarHBondContact CZ-OG1 3.34Å
102D89.7Confident90.6Very high41 Ų4193.2 Ų93.222%0.21946%0.46CS..Hα-helixtrans-63.9-45.3175.7-73.414.6000110.8R98 M99 P100 L104 T105 N106 R121R98-D102 WeakPolarHBondContact O-CB 3.47Å; R98-D102 VanDerWaalsContact O-CG 3.23Å; R98-D102 PolarHBondContact O-N 3.45Å; M99-D102 PolarHBondContact O-N 2.88Å; P100-D102 VanDerWaalsContact C-N 3.34Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-L104 PolarHBondContact O-N 2.82Å; D102-T105 WeakPolarHBondContact CA-OG1 3.46Å; D102-T105 PolarHBondContact O-N 3.35Å; D102-T105 PolarHBondContact O-OG1 2.78Å; D102-N106 VanDerWaalsContact O-CG 3.24Å; D102-N106 PolarHBondContact O-N 3.07Å; D102-N106 PolarHBondContact O-ND2 3.12Å; D102-R121 IonicContact OD1-CZ 2.81Å; D102-R121 IonicContact OD1-NE 2.83Å; D102-R121 IonicContact OD1-NH1 2.63Å; D102-R121 PolarHBondContact OD1-NH1 3.49Å; D102-R121 IonicContact OD1-NH2 3.88Å; D102-R121 PolarHBondContact OD1-NH2 2.97Å; D102-R121 IonicContact OD2-CZ 3.18Å; D102-R121 VanDerWaalsContact OD2-CZ 3.25Å; D102-R121 IonicContact OD2-NH1 3.07Å; D102-R121 PolarHBondContact OD2-NH1 2.77Å; D102-R121 IonicContact OD2-NH2 3.77Å; D102-R121 PolarHBondContact OD2-NH2 3.41Å
103A92Very high90.5Very high55 Ų5589.1 Ų89.146%0.45545%0.446SS..Hα-helixtrans-58.4-46.5174.300000111.5M99 P100 T105 N106 L107M99-A103 PolarHBondContact O-N 3.37Å; M99-A103 VanDerWaalsContact O-N 3.15Å; P100-A103 PolarHBondContact O-N 2.95Å; A103-T105 PolarHBondContact O-N 3.27Å; A103-N106 PolarHBondContact O-N 2.97Å; A103-L107 WeakPolarHBondContact O-CG 3.32Å; A103-L107 PolarHBondContact O-N 3.15Å; A103-L107 VanDerWaalsContact O-N 3.15Å
104L93Very high90.2Very high71 Ų7185.2 Ų85.237%0.37243%0.433SS..Hα-helixtrans-60.8-45.5176.1-165.3163.9000111.4P100 F101 D102 N106 L107 V108 F120 I124P100-L104 PolarHBondContact O-N 3.47Å; F101-L104 PolarHBondContact O-N 3.38Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-L104 PolarHBondContact O-N 2.82Å; L104-N106 VanDerWaalsContact C-N 3.3Å; L104-N106 PolarHBondContact O-N 3.02Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-V108 HydrophobicContact CD2-CG2 3.96Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.06Å; L104-V108 VanDerWaalsContact O-N 3.13Å; L104-F120 HydrophobicContact CD2-CE1 3.38Å; L104-F120 HydrophobicContact CD2-CZ 3.44Å; L104-F120 VanDerWaalsContact CD2-CZ 3.44Å; L104-I124 HydrophobicContact CD2-CD1 4.15Å
105T89.9Confident90.1Very high7 Ų786.4 Ų86.44%0.04344%0.443CS..Hα-helixtrans-63.4-35.9178.661.70000112.2F101 D102 A103 V108 R109 F120 R121F101-T105 WeakPolarHBondContact O-CB 3.41Å; F101-T105 WeakPolarHBondContact O-CG2 3.46Å; F101-T105 PolarHBondContact O-N 2.83Å; F101-T105 PolarHBondContact O-OG1 3.02Å; D102-T105 WeakPolarHBondContact CA-OG1 3.46Å; D102-T105 PolarHBondContact O-N 3.35Å; D102-T105 PolarHBondContact O-OG1 2.78Å; A103-T105 PolarHBondContact O-N 3.27Å; T105-V108 PolarHBondContact O-N 3.03Å; T105-R109 WeakPolarHBondContact O-CB 3.46Å; T105-R109 PolarHBondContact O-N 3.17Å; T105-F120 HydrophobicContact CG2-CD1 3.69Å; T105-F120 HydrophobicContact CG2-CE1 4.04Å; T105-R121 HydrophobicContact CG2-CB 3.71Å; T105-R121 HydrophobicContact CG2-CG 4.08Å
106N89.4Confident90.1Very high96 Ų9685.8 Ų85.851%0.51345%0.445SS..Hα-helixtrans-68.2-34.4177.6-71.7-22.3000112.4D102 A103 L104 P110D102-N106 VanDerWaalsContact O-CG 3.24Å; D102-N106 PolarHBondContact O-N 3.07Å; D102-N106 PolarHBondContact O-ND2 3.12Å; A103-N106 PolarHBondContact O-N 2.97Å; L104-N106 VanDerWaalsContact C-N 3.3Å; L104-N106 PolarHBondContact O-N 3.02Å; N106-P110 VanDerWaalsContact O-CD 3.28Å; N106-P110 WeakPolarHBondContact O-CD 3.37Å
107L91.9Very high90Very high136 Ų13681.2 Ų81.271%0.71242%0.422SS*.Hα-helixtrans-68.2-36.3174-67.6174.3000112.3A103 L104 P110A103-L107 WeakPolarHBondContact O-CG 3.32Å; A103-L107 PolarHBondContact O-N 3.15Å; A103-L107 VanDerWaalsContact O-N 3.15Å; L104-L107 PolarHBondContact O-N 2.84Å; L107-P110 WeakPolarHBondContact O-CD 3.27Å; L107-P110 WeakPolarHBondContact O-CG 3.35Å
108V91.8Very high90Very high33 Ų3382.8 Ų82.820%0.243%0.428CS..Hα-helixtrans-87.9-24.9-175.8175.40000112.6L104 T105 P110 I111 I112 F120L104-V108 HydrophobicContact CD2-CG2 3.96Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.06Å; L104-V108 VanDerWaalsContact O-N 3.13Å; T105-V108 PolarHBondContact O-N 3.03Å; V108-P110 VanDerWaalsContact C-CD 3.49Å; V108-I111 PolarHBondContact O-N 3.39Å; V108-I112 HydrophobicContact CG1-CB 4.48Å; V108-I112 HydrophobicContact CG1-CD1 3.13Å; V108-I112 HydrophobicContact CG1-CG1 3.5Å; V108-I112 VanDerWaalsContact CG1-CG1 3.5Å; V108-I112 PolarHBondContact O-N 2.97Å; V108-I112 VanDerWaalsContact O-N 3.14Å; V108-F120 HydrophobicContact CB-CE1 3.85Å; V108-F120 HydrophobicContact CB-CZ 4.18Å; V108-F120 HydrophobicContact CG1-CD1 4.36Å; V108-F120 HydrophobicContact CG1-CE1 3.86Å; V108-F120 HydrophobicContact CG1-CZ 3.92Å; V108-F120 HydrophobicContact CG2-CE1 4.02Å; V108-F120 HydrophobicContact CG2-CZ 4.01Å
109R88.9Confident90.1Very high79 Ų7984.9 Ų84.930%0.29844%0.436SS..Hα-helixtrans-49.2-47.3178.9-173.4171.8-176.9171.10.2114.7T105 I111 G113 D114T105-R109 WeakPolarHBondContact O-CB 3.46Å; T105-R109 PolarHBondContact O-N 3.17Å; R109-I111 PolarHBondContact O-N 3.29Å; R109-G113 WeakPolarHBondContact O-CA 3.25Å; R109-G113 PolarHBondContact O-N 3.5Å; R109-D114 IonicContact CZ-OD1 2.63Å; R109-D114 IonicContact CZ-OD2 3.71Å; R109-D114 IonicContact NE-OD1 3.01Å; R109-D114 PolarHBondContact NE-OD1 3.47Å; R109-D114 IonicContact NE-OD2 2.7Å; R109-D114 IonicContact NH2-OD1 2.93Å; R109-D114 PolarHBondContact NH2-OD1 3.24Å; R109-D114 IonicContact NH2-OD2 2.92Å; R109-D114 PolarHBondContact NH2-OD2 2.9Å
110P89.6Confident90.2Very high107 Ų10780.7 Ų80.770%0.69541%0.414SS*.Hα-helixtrans-64.3-21.9179.424.8-35.2000113.6N106 L107 V108N106-P110 VanDerWaalsContact O-CD 3.28Å; N106-P110 WeakPolarHBondContact O-CD 3.37Å; L107-P110 WeakPolarHBondContact O-CD 3.27Å; L107-P110 WeakPolarHBondContact O-CG 3.35Å; V108-P110 VanDerWaalsContact C-CD 3.49Å
111I93.3Very high90.1Very high146 Ų14680 Ų8075%0.74940%0.401SS*.Hα-helixtrans-87.8-44.3-177.8-56.2171.7000111V108 R109V108-I111 PolarHBondContact O-N 3.39Å; R109-I111 PolarHBondContact O-N 3.29Å
112I90.1Very high90Very high66 Ų6680.1 Ų80.134%0.33841%0.41SS..Hα-helixtrans-94.6-21.8-171.3-47.8-171.1000111.9V108 K116V108-I112 HydrophobicContact CG1-CB 4.48Å; V108-I112 HydrophobicContact CG1-CD1 3.13Å; V108-I112 HydrophobicContact CG1-CG1 3.5Å; V108-I112 VanDerWaalsContact CG1-CG1 3.5Å; V108-I112 PolarHBondContact O-N 2.97Å; V108-I112 VanDerWaalsContact O-N 3.14Å; I112-K116 HydrophobicContact CB-CB 4.35Å; I112-K116 HydrophobicContact CG2-CB 3.29Å; I112-K116 HydrophobicContact CG2-CD 3.49Å; I112-K116 VanDerWaalsContact CG2-CD 3.49Å; I112-K116 HydrophobicContact CG2-CG 4.03Å
113G89.3Confident90.1Very high31 Ų3181.5 Ų81.532%0.3242%0.42SS..  trans85.3165.7-176.600000113.6R109 K116 S117R109-G113 WeakPolarHBondContact O-CA 3.25Å; R109-G113 PolarHBondContact O-N 3.5Å; G113-K116 PolarHBondContact O-N 3.38Å; G113-S117 WeakPolarHBondContact O-CB 3.48Å; G113-S117 PolarHBondContact O-N 2.93Å
114D86.1Confident90.2Very high80 Ų8080.2 Ų80.243%0.42841%0.405SS..Hα-helixtrans-62.6-49.1-167.8-83.210.9000113.8R109 K116 S117 W118R109-D114 IonicContact CZ-OD1 2.63Å; R109-D114 IonicContact CZ-OD2 3.71Å; R109-D114 IonicContact NE-OD1 3.01Å; R109-D114 PolarHBondContact NE-OD1 3.47Å; R109-D114 IonicContact NE-OD2 2.7Å; R109-D114 IonicContact NH2-OD1 2.93Å; R109-D114 PolarHBondContact NH2-OD1 3.24Å; R109-D114 IonicContact NH2-OD2 2.92Å; R109-D114 PolarHBondContact NH2-OD2 2.9Å; D114-K116 PolarHBondContact O-N 3.23Å; D114-S117 PolarHBondContact O-N 3.3Å; D114-S117 PolarHBondContact O-OG 2.92Å; D114-W118 PolarHBondContact O-N 2.95Å
115H86.8Confident90.2Very high138 Ų13878.2 Ų78.264%0.63940%0.396SS*.Hα-helixtrans-58.3-46.9-178.7-176.2-102.2000112.3W118 Y119H115-W118 WeakPolarHBondContact O-CB 3.37Å; H115-W118 PolarHBondContact O-N 3.46Å; H115-Y119 AromaticContact CE1-CE2 3.47Å; H115-Y119 VanDerWaalsContact CE1-CE2 3.47Å; H115-Y119 WeakPolarHBondContact CE1-CE2 3.36Å; H115-Y119 AromaticContact ND1-CE2 3.88Å; H115-Y119 AromaticContact NE2-CE2 3.82Å; H115-Y119 VanDerWaalsContact O-CD2 3.29Å; H115-Y119 WeakPolarHBondContact O-CD2 3.43Å
116K89.3Confident90.3Very high133 Ų13384.9 Ų84.958%0.57843%0.425SS*.Hα-helixtrans-73.7-32.7-179.3-69.8-179.7179.51770112.3I112 G113 D114 W118 Y119 F120I112-K116 HydrophobicContact CB-CB 4.35Å; I112-K116 HydrophobicContact CG2-CB 3.29Å; I112-K116 HydrophobicContact CG2-CD 3.49Å; I112-K116 VanDerWaalsContact CG2-CD 3.49Å; I112-K116 HydrophobicContact CG2-CG 4.03Å; G113-K116 PolarHBondContact O-N 3.38Å; D114-K116 PolarHBondContact O-N 3.23Å; K116-W118 PolarHBondContact O-N 2.95Å; K116-Y119 PolarHBondContact O-N 2.84Å; K116-F120 WeakPolarHBondContact O-CB 3.2Å; K116-F120 PolarHBondContact O-N 2.89Å
117S88.4Confident90.7Very high15 Ų1584.4 Ų84.411%0.10543%0.425CS..Hα-helixtrans-58.8-32.917579.30000112.8G113 D114 F120 R121G113-S117 WeakPolarHBondContact O-CB 3.48Å; G113-S117 PolarHBondContact O-N 2.93Å; D114-S117 PolarHBondContact O-N 3.3Å; D114-S117 PolarHBondContact O-OG 2.92Å; S117-F120 WeakPolarHBondContact O-CB 3.06Å; S117-F120 PolarHBondContact O-N 2.69Å; S117-R121 WeakPolarHBondContact O-CB 3.37Å; S117-R121 PolarHBondContact O-N 3.42Å
118W87.7Confident90.8Very high165 Ų16580 Ų8063%0.62540%0.404SS*.Hα-helixtrans-63.8-46.7176.6179.182.9000111.7D114 H115 K116 R121 A122D114-W118 PolarHBondContact O-N 2.95Å; H115-W118 WeakPolarHBondContact O-CB 3.37Å; H115-W118 PolarHBondContact O-N 3.46Å; K116-W118 PolarHBondContact O-N 2.95Å; W118-R121 PolarHBondContact O-N 3.42Å; W118-A122 PolarHBondContact O-N 3.47Å; W118-A122 VanDerWaalsContact O-N 3.16Å
119Y91.5Very high90.9Very high119 Ų11982 Ų8247%0.46742%0.418SS..Hα-helixtrans-62.3-46174.9-69.9-80.9000111.4H115 K116 R121 A122 T123H115-Y119 AromaticContact CE1-CE2 3.47Å; H115-Y119 VanDerWaalsContact CE1-CE2 3.47Å; H115-Y119 WeakPolarHBondContact CE1-CE2 3.36Å; H115-Y119 AromaticContact ND1-CE2 3.88Å; H115-Y119 AromaticContact NE2-CE2 3.82Å; H115-Y119 VanDerWaalsContact O-CD2 3.29Å; H115-Y119 WeakPolarHBondContact O-CD2 3.43Å; K116-Y119 PolarHBondContact O-N 2.84Å; Y119-R121 VanDerWaalsContact C-N 3.33Å; Y119-R121 PolarHBondContact O-N 3.33Å; Y119-A122 PolarHBondContact O-N 2.85Å; Y119-T123 WeakPolarHBondContact O-CG2 3.27Å; Y119-T123 PolarHBondContact O-N 3.3Å; Y119-T123 PolarHBondContact O-OG1 3.43Å
120F92Very high91.2Very high53 Ų5382.4 Ų82.423%0.23243%0.43CS..Hα-helixtrans-56.5-46.2179-177.1-108.5000111.9L104 T105 V108 K116 S117 A122 T123 I124L104-F120 HydrophobicContact CD2-CE1 3.38Å; L104-F120 HydrophobicContact CD2-CZ 3.44Å; L104-F120 VanDerWaalsContact CD2-CZ 3.44Å; T105-F120 HydrophobicContact CG2-CD1 3.69Å; T105-F120 HydrophobicContact CG2-CE1 4.04Å; V108-F120 HydrophobicContact CB-CE1 3.85Å; V108-F120 HydrophobicContact CB-CZ 4.18Å; V108-F120 HydrophobicContact CG1-CD1 4.36Å; V108-F120 HydrophobicContact CG1-CE1 3.86Å; V108-F120 HydrophobicContact CG1-CZ 3.92Å; V108-F120 HydrophobicContact CG2-CE1 4.02Å; V108-F120 HydrophobicContact CG2-CZ 4.01Å; K116-F120 WeakPolarHBondContact O-CB 3.2Å; K116-F120 PolarHBondContact O-N 2.89Å; S117-F120 WeakPolarHBondContact O-CB 3.06Å; S117-F120 PolarHBondContact O-N 2.69Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 2.83Å; F120-T123 PolarHBondContact O-N 2.81Å; F120-T123 PolarHBondContact O-OG1 2.94Å; F120-I124 HydrophobicContact CD1-CD1 3.44Å; F120-I124 VanDerWaalsContact CD1-CD1 3.44Å; F120-I124 HydrophobicContact CD2-CD1 3.43Å; F120-I124 VanDerWaalsContact CD2-CD1 3.43Å; F120-I124 HydrophobicContact CD2-CG1 3.93Å; F120-I124 HydrophobicContact CE1-CD1 3.15Å; F120-I124 HydrophobicContact CE2-CD1 3.15Å; F120-I124 HydrophobicContact CE2-CG1 3.88Å; F120-I124 HydrophobicContact CG-CD1 3.57Å; F120-I124 HydrophobicContact CG-CG1 4.29Å; F120-I124 HydrophobicContact CZ-CD1 3.02Å; F120-I124 HydrophobicContact CZ-CG1 4.2Å; F120-I124 VanDerWaalsContact O-CG1 3.29Å; F120-I124 WeakPolarHBondContact O-CG1 3.23Å; F120-I124 PolarHBondContact O-N 2.91Å
121R89.1Confident91.6Very high67 Ų6780.9 Ų80.925%0.25342%0.416SS..Hα-helixtrans-61.2-34.1175-176.2-178.1173.5109.110.4113R98 D102 T105 S117 W118 Y119 P125R98-R121 VanDerWaalsContact CZ-NH2 3.27Å; R98-R121 VanDerWaalsContact NH2-NE 3.18Å; D102-R121 IonicContact OD1-CZ 2.81Å; D102-R121 IonicContact OD1-NE 2.83Å; D102-R121 IonicContact OD1-NH1 2.63Å; D102-R121 PolarHBondContact OD1-NH1 3.49Å; D102-R121 IonicContact OD1-NH2 3.88Å; D102-R121 PolarHBondContact OD1-NH2 2.97Å; D102-R121 IonicContact OD2-CZ 3.18Å; D102-R121 VanDerWaalsContact OD2-CZ 3.25Å; D102-R121 IonicContact OD2-NH1 3.07Å; D102-R121 PolarHBondContact OD2-NH1 2.77Å; D102-R121 IonicContact OD2-NH2 3.77Å; D102-R121 PolarHBondContact OD2-NH2 3.41Å; T105-R121 HydrophobicContact CG2-CB 3.71Å; T105-R121 HydrophobicContact CG2-CG 4.08Å; S117-R121 WeakPolarHBondContact O-CB 3.37Å; S117-R121 PolarHBondContact O-N 3.42Å; W118-R121 PolarHBondContact O-N 3.42Å; Y119-R121 VanDerWaalsContact C-N 3.33Å; Y119-R121 PolarHBondContact O-N 3.33Å; R121-P125 WeakPolarHBondContact O-CD 3.38Å; R121-P125 WeakPolarHBondContact O-CG 3.36Å
122A89.8Confident91.7Very high44 Ų4477.8 Ų77.836%0.36440%0.399SS..Hα-helixtrans-80.7-29.4-179.400000113.3W118 Y119 F120 K126W118-A122 PolarHBondContact O-N 3.47Å; W118-A122 VanDerWaalsContact O-N 3.16Å; Y119-A122 PolarHBondContact O-N 2.85Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 2.83Å; A122-K126 WeakPolarHBondContact O-CD 3.5Å; A122-K126 WeakPolarHBondContact O-CE 3.33Å
123T93.3Very high92.1Very high70 Ų7080.5 Ų80.543%0.42941%0.414SS..Hα-helixtrans-93.2-43.4-173.955.40000113.2Y119 F120 K126 V127Y119-T123 WeakPolarHBondContact O-CG2 3.27Å; Y119-T123 PolarHBondContact O-N 3.3Å; Y119-T123 PolarHBondContact O-OG1 3.43Å; F120-T123 PolarHBondContact O-N 2.81Å; F120-T123 PolarHBondContact O-OG1 2.94Å; T123-K126 WeakPolarHBondContact O-CB 3.32Å; T123-K126 PolarHBondContact O-N 3.43Å; T123-K126 VanDerWaalsContact O-N 3.15Å; T123-V127 WeakPolarHBondContact O-CG2 3.32Å; T123-V127 PolarHBondContact O-N 2.97Å
124I93.4Very high92.5Very high29 Ų2985.8 Ų85.815%0.14943%0.429CS..Hα-helixtrans-56.1-51.6-174.5-67.4166.2000112.9F101 L104 F120 K126 V127 T128F101-I124 HydrophobicContact CD1-CG2 3.68Å; F101-I124 HydrophobicContact CE1-CG2 3.76Å; L104-I124 HydrophobicContact CD2-CD1 4.15Å; F120-I124 HydrophobicContact CD1-CD1 3.44Å; F120-I124 VanDerWaalsContact CD1-CD1 3.44Å; F120-I124 HydrophobicContact CD2-CD1 3.43Å; F120-I124 VanDerWaalsContact CD2-CD1 3.43Å; F120-I124 HydrophobicContact CD2-CG1 3.93Å; F120-I124 HydrophobicContact CE1-CD1 3.15Å; F120-I124 HydrophobicContact CE2-CD1 3.15Å; F120-I124 HydrophobicContact CE2-CG1 3.88Å; F120-I124 HydrophobicContact CG-CD1 3.57Å; F120-I124 HydrophobicContact CG-CG1 4.29Å; F120-I124 HydrophobicContact CZ-CD1 3.02Å; F120-I124 HydrophobicContact CZ-CG1 4.2Å; F120-I124 VanDerWaalsContact O-CG1 3.29Å; F120-I124 WeakPolarHBondContact O-CG1 3.23Å; F120-I124 PolarHBondContact O-N 2.91Å; I124-K126 PolarHBondContact O-N 3.31Å; I124-K126 VanDerWaalsContact O-N 3.12Å; I124-V127 PolarHBondContact O-N 2.93Å; I124-T128 HydrophobicContact CG2-CG2 3.84Å; I124-T128 PolarHBondContact O-N 3.2Å; I124-T128 PolarHBondContact O-OG1 3.29Å
125P91.9Very high93Very high29 Ų2990 Ų9019%0.18844%0.438CS..Hα-helixtrans-59.9-33.2-175.1-2334.8000111.5F101 R121 T128 C129F101-P125 HydrophobicContact CB-CG 4.12Å; F101-P125 HydrophobicContact CD1-CG 4.12Å; F101-P125 HydrophobicContact CD2-CB 4.09Å; F101-P125 HydrophobicContact CD2-CG 4.02Å; F101-P125 HydrophobicContact CE2-CB 4.11Å; F101-P125 HydrophobicContact CE2-CG 4.49Å; F101-P125 HydrophobicContact CG-CB 4.31Å; F101-P125 HydrophobicContact CG-CG 3.81Å; F101-P125 HydrophobicContact CZ-CB 4.34Å; R121-P125 WeakPolarHBondContact O-CD 3.38Å; R121-P125 WeakPolarHBondContact O-CG 3.36Å; P125-T128 WeakPolarHBondContact CA-OG1 3.36Å; P125-T128 PolarHBondContact O-OG1 2.99Å; P125-T128 VanDerWaalsContact O-OG1 3.07Å; P125-C129 WeakPolarHBondContact O-CB 3.22Å; P125-C129 PolarHBondContact O-N 3.46Å; P125-C129 PolarHBondContact O-SG 2.94Å
126K93.9Very high93.4Very high146 Ų14689.9 Ų89.964%0.63544%0.437SS*.Hα-helixtrans-67.3-51.8176.4-59.8178.9-175.7175.70110.3A122 T123 I124 T128 C129 T130A122-K126 WeakPolarHBondContact O-CD 3.5Å; A122-K126 WeakPolarHBondContact O-CE 3.33Å; T123-K126 WeakPolarHBondContact O-CB 3.32Å; T123-K126 PolarHBondContact O-N 3.43Å; T123-K126 VanDerWaalsContact O-N 3.15Å; I124-K126 PolarHBondContact O-N 3.31Å; I124-K126 VanDerWaalsContact O-N 3.12Å; K126-T128 VanDerWaalsContact C-N 3.35Å; K126-T128 PolarHBondContact O-N 3.5Å; K126-C129 PolarHBondContact O-N 3.32Å; K126-T130 WeakPolarHBondContact O-CB 3.41Å; K126-T130 VanDerWaalsContact O-CG2 3.32Å; K126-T130 WeakPolarHBondContact O-CG2 3.26Å; K126-T130 PolarHBondContact O-N 3.17Å; K126-T130 PolarHBondContact O-OG1 3.39Å
127V95.9Very high93.5Very high87 Ų8785.6 Ų85.653%0.52743%0.426SS..Hα-helixtrans-58.7-46.3179.8175.50000111T123 I124 T130 L131T123-V127 WeakPolarHBondContact O-CG2 3.32Å; T123-V127 PolarHBondContact O-N 2.97Å; I124-V127 PolarHBondContact O-N 2.93Å; V127-T130 WeakPolarHBondContact CA-OG1 3.41Å; V127-T130 PolarHBondContact O-N 3.25Å; V127-T130 PolarHBondContact O-OG1 3.24Å; V127-L131 WeakPolarHBondContact O-CB 3.31Å; V127-L131 PolarHBondContact O-N 3.01Å
128T94Very high93.5Very high42 Ų4291.1 Ų91.126%0.25844%0.444SS..Hα-helixtrans-65.4-44.6178.853.20000111.9F101 I124 P125 K126 T130 L131 I132F101-T128 HydrophobicContact CE1-CG2 4.05Å; F101-T128 WeakPolarHBondContact CE1-OG1 3.33Å; F101-T128 VanDerWaalsContact CZ-OG1 3.25Å; F101-T128 WeakPolarHBondContact CZ-OG1 3.34Å; I124-T128 HydrophobicContact CG2-CG2 3.84Å; I124-T128 PolarHBondContact O-N 3.2Å; I124-T128 PolarHBondContact O-OG1 3.29Å; P125-T128 WeakPolarHBondContact CA-OG1 3.36Å; P125-T128 PolarHBondContact O-OG1 2.99Å; P125-T128 VanDerWaalsContact O-OG1 3.07Å; K126-T128 VanDerWaalsContact C-N 3.35Å; K126-T128 PolarHBondContact O-N 3.5Å; T128-T130 PolarHBondContact O-N 2.92Å; T128-L131 PolarHBondContact O-N 2.96Å; T128-I132 WeakPolarHBondContact O-CB 3.48Å; T128-I132 WeakPolarHBondContact O-CD1 3.47Å; T128-I132 VanDerWaalsContact O-CG1 3.23Å; T128-I132 WeakPolarHBondContact O-CG1 3.27Å; T128-I132 PolarHBondContact O-N 3.31Å
129C93.7Very high93.6Very high75 Ų7589.2 Ų89.251%0.50744%0.438SS..Hα-helixtrans-64.5-40.5177.3-74.10000112P125 K126 L131 L133P125-C129 WeakPolarHBondContact O-CB 3.22Å; P125-C129 PolarHBondContact O-N 3.46Å; P125-C129 PolarHBondContact O-SG 2.94Å; K126-C129 PolarHBondContact O-N 3.32Å; C129-L131 VanDerWaalsContact C-N 3.33Å; C129-L133 VanDerWaalsContact O-CB 3.31Å; C129-L133 WeakPolarHBondContact O-CB 3.47Å; C129-L133 PolarHBondContact O-N 3.47Å
130T96.6Very high93.3Very high88 Ų8891.3 Ų91.354%0.5445%0.445SS..Hα-helixtrans-64.7-39.4176.649.60000111.9K126 V127 T128 L133 F134K126-T130 WeakPolarHBondContact O-CB 3.41Å; K126-T130 VanDerWaalsContact O-CG2 3.32Å; K126-T130 WeakPolarHBondContact O-CG2 3.26Å; K126-T130 PolarHBondContact O-N 3.17Å; K126-T130 PolarHBondContact O-OG1 3.39Å; V127-T130 WeakPolarHBondContact CA-OG1 3.41Å; V127-T130 PolarHBondContact O-N 3.25Å; V127-T130 PolarHBondContact O-OG1 3.24Å; T128-T130 PolarHBondContact O-N 2.92Å; T130-L133 PolarHBondContact O-N 2.87Å; T130-F134 WeakPolarHBondContact O-CB 3.49Å; T130-F134 PolarHBondContact O-N 2.9Å
131L97.2Very high92.9Very high76 Ų7692.7 Ų92.740%0.39845%0.454SS..Hα-helixtrans-69.1-45.2179.9-168.1163.5000110.5V127 T128 C129 L133 F134 W135V127-L131 WeakPolarHBondContact O-CB 3.31Å; V127-L131 PolarHBondContact O-N 3.01Å; T128-L131 PolarHBondContact O-N 2.96Å; C129-L131 VanDerWaalsContact C-N 3.33Å; L131-L133 PolarHBondContact O-N 3.26Å; L131-F134 PolarHBondContact O-N 3.03Å; L131-W135 HydrophobicContact CD2-CD2 3.38Å; L131-W135 VanDerWaalsContact CD2-CE2 3.45Å; L131-W135 HydrophobicContact CD2-CE3 3.25Å; L131-W135 HydrophobicContact CD2-CG 4.25Å; L131-W135 HydrophobicContact CD2-CH2 3.35Å; L131-W135 HydrophobicContact CD2-CZ2 3.47Å; L131-W135 VanDerWaalsContact CD2-CZ2 3.47Å; L131-W135 HydrophobicContact CD2-CZ3 3.22Å; L131-W135 PolarHBondContact O-N 2.95Å
132I96.8Very high92.6Very high80 Ų8093.8 Ų93.841%0.4146%0.461SS..Hα-helixtrans-58.2-48.1173.8-71.1166.5000110.6T128 F134 W135 F136T128-I132 WeakPolarHBondContact O-CB 3.48Å; T128-I132 WeakPolarHBondContact O-CD1 3.47Å; T128-I132 VanDerWaalsContact O-CG1 3.23Å; T128-I132 WeakPolarHBondContact O-CG1 3.27Å; T128-I132 PolarHBondContact O-N 3.31Å; I132-F134 VanDerWaalsContact C-N 3.31Å; I132-F134 PolarHBondContact O-N 3.17Å; I132-W135 PolarHBondContact O-N 3.47Å; I132-F136 HydrophobicContact CG2-CD2 3.52Å; I132-F136 HydrophobicContact CG2-CE2 3.53Å; I132-F136 VanDerWaalsContact O-CD2 3.26Å; I132-F136 WeakPolarHBondContact O-CD2 3.42Å; I132-F136 PolarHBondContact O-N 2.92Å
133L97Very high92.3Very high123 Ų12397.6 Ų97.664%0.64447%0.466SS*.Hα-helixtrans-58.6-43.7177.7-177.4151.9000111.6C129 T130 L131 F136 A137C129-L133 VanDerWaalsContact O-CB 3.31Å; C129-L133 WeakPolarHBondContact O-CB 3.47Å; C129-L133 PolarHBondContact O-N 3.47Å; T130-L133 PolarHBondContact O-N 2.87Å; L131-L133 PolarHBondContact O-N 3.26Å; L133-F136 PolarHBondContact O-N 2.84Å; L133-A137 WeakPolarHBondContact O-CB 3.37Å; L133-A137 PolarHBondContact O-N 3.36Å
134F97.4Very high91.3Very high143 Ų14397.4 Ų97.463%0.62747%0.467SS*.Hα-helixtrans-65.3-42.5178.6-168.2-97.7000111.9T130 L131 I132 A137 W138T130-F134 WeakPolarHBondContact O-CB 3.49Å; T130-F134 PolarHBondContact O-N 2.9Å; L131-F134 PolarHBondContact O-N 3.03Å; I132-F134 VanDerWaalsContact C-N 3.31Å; I132-F134 PolarHBondContact O-N 3.17Å; F134-A137 PolarHBondContact O-N 2.85Å; F134-W138 VanDerWaalsContact O-CB 3.27Å; F134-W138 WeakPolarHBondContact O-CB 3.14Å; F134-W138 PolarHBondContact O-N 2.84Å
135W96.6Very high90Very high167 Ų16799 Ų9963%0.63348%0.476SS*.Hα-helixtrans-61.6-43.5173.1-82.1-22.8000112.5L131 I132 W138 Y139L131-W135 HydrophobicContact CD2-CD2 3.38Å; L131-W135 VanDerWaalsContact CD2-CE2 3.45Å; L131-W135 HydrophobicContact CD2-CE3 3.25Å; L131-W135 HydrophobicContact CD2-CG 4.25Å; L131-W135 HydrophobicContact CD2-CH2 3.35Å; L131-W135 HydrophobicContact CD2-CZ2 3.47Å; L131-W135 VanDerWaalsContact CD2-CZ2 3.47Å; L131-W135 HydrophobicContact CD2-CZ3 3.22Å; L131-W135 PolarHBondContact O-N 2.95Å; I132-W135 PolarHBondContact O-N 3.47Å; W135-W138 PolarHBondContact O-N 2.82Å; W135-Y139 WeakPolarHBondContact O-CB 3.33Å; W135-Y139 PolarHBondContact O-N 3.44Å
136F95.2Very high88.8Confident137 Ų137102.1 Ų102.160%0.60149%0.491SS*.Hα-helixtrans-62.3-46.5175-89.3-71.8000111.6I132 L133 W138 Y139 R140I132-F136 HydrophobicContact CG2-CD2 3.52Å; I132-F136 HydrophobicContact CG2-CE2 3.53Å; I132-F136 VanDerWaalsContact O-CD2 3.26Å; I132-F136 WeakPolarHBondContact O-CD2 3.42Å; I132-F136 PolarHBondContact O-N 2.92Å; L133-F136 PolarHBondContact O-N 2.84Å; F136-W138 PolarHBondContact O-N 3.28Å; F136-Y139 PolarHBondContact O-N 2.94Å; F136-R140 WeakPolarHBondContact O-CB 3.21Å; F136-R140 WeakPolarHBondContact O-CG 3.27Å; F136-R140 PolarHBondContact O-N 3.48Å
137A91.4Very high87.5Confident42 Ų42104.6 Ų104.635%0.34750%0.497SS..Hα-helixtrans-60.5-46.1177.600000111.4L133 F134 R140 I141L133-A137 WeakPolarHBondContact O-CB 3.37Å; L133-A137 PolarHBondContact O-N 3.36Å; F134-A137 PolarHBondContact O-N 2.85Å; A137-R140 PolarHBondContact O-N 3.35Å; A137-I141 WeakPolarHBondContact O-CB 3.39Å; A137-I141 VanDerWaalsContact O-CG1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.32Å; A137-I141 PolarHBondContact O-N 3.45Å
138W89.9Confident86.1Confident131 Ų131106.9 Ų106.950%0.49650%0.501SS..Hα-helixtrans-60.8-46.8176177.685.2000112F134 W135 F136 R140 I141 K142F134-W138 VanDerWaalsContact O-CB 3.27Å; F134-W138 WeakPolarHBondContact O-CB 3.14Å; F134-W138 PolarHBondContact O-N 2.84Å; W135-W138 PolarHBondContact O-N 2.82Å; F136-W138 PolarHBondContact O-N 3.28Å; W138-R140 VanDerWaalsContact C-N 3.34Å; W138-R140 PolarHBondContact O-N 2.89Å; W138-I141 PolarHBondContact O-N 3.45Å; W138-K142 HydrophobicContact CH2-CD 3.51Å; W138-K142 HydrophobicContact CZ2-CD 3.55Å; W138-K142 HydrophobicContact CZ3-CD 4.07Å; W138-K142 WeakPolarHBondContact O-CB 3.27Å; W138-K142 PolarHBondContact O-N 3.29Å
139Y89.4Confident84.5Confident126 Ų126108.2 Ų108.249%0.49451%0.51SS..Hα-helixtrans-60.8-44.2177.6-176.6-89.1000111.1W135 F136 K142 Y143W135-Y139 WeakPolarHBondContact O-CB 3.33Å; W135-Y139 PolarHBondContact O-N 3.44Å; F136-Y139 PolarHBondContact O-N 2.94Å; Y139-K142 PolarHBondContact O-N 2.92Å; Y139-Y143 HydrophobicContact CD1-CD2 4.19Å; Y139-Y143 AromaticContact CD2-CD2 3.35Å; Y139-Y143 HydrophobicContact CD2-CD2 3.35Å; Y139-Y143 AromaticContact CD2-CE2 3.46Å; Y139-Y143 HydrophobicContact CD2-CE2 3.46Å; Y139-Y143 VanDerWaalsContact CD2-CE2 3.46Å; Y139-Y143 HydrophobicContact CE1-CD2 4.12Å; Y139-Y143 AromaticContact CE2-CD2 3.26Å; Y139-Y143 HydrophobicContact CE2-CD2 3.26Å; Y139-Y143 AromaticContact CE2-CE2 3.38Å; Y139-Y143 HydrophobicContact CE2-CE2 3.38Å; Y139-Y143 HydrophobicContact CE2-CG 4.14Å; Y139-Y143 AromaticContact CG-CD2 3.82Å; Y139-Y143 HydrophobicContact CG-CD2 3.82Å; Y139-Y143 HydrophobicContact CG-CE2 4.32Å; Y139-Y143 AromaticContact CZ-CD2 3.67Å; Y139-Y143 WeakPolarHBondContact O-CD2 3.48Å; Y139-Y143 PolarHBondContact O-N 3.34Å
140R85Confident82.9Confident163 Ų163111.8 Ų111.862%0.61552%0.518SS*.Hα-helixtrans-60.6-46.7176.1-72.1-70.5-64.9-166.61.1111.5F136 A137 W138 K142 C144F136-R140 WeakPolarHBondContact O-CB 3.21Å; F136-R140 WeakPolarHBondContact O-CG 3.27Å; F136-R140 PolarHBondContact O-N 3.48Å; A137-R140 PolarHBondContact O-N 3.35Å; W138-R140 VanDerWaalsContact C-N 3.34Å; W138-R140 PolarHBondContact O-N 2.89Å; R140-K142 VanDerWaalsContact C-N 3.31Å; R140-K142 PolarHBondContact O-N 3.34Å; R140-C144 WeakPolarHBondContact O-CB 2.93Å; R140-C144 PolarHBondContact O-N 3Å
141I82.6Confident81.1Confident81 Ų81109.4 Ų109.442%0.41551%0.508SS..Hα-helixtrans-62.4-40.1177.3-71.5165.4000111.3A137 W138A137-I141 WeakPolarHBondContact O-CB 3.39Å; A137-I141 VanDerWaalsContact O-CG1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.32Å; A137-I141 PolarHBondContact O-N 3.45Å; W138-I141 PolarHBondContact O-N 3.45Å
142K83.9Confident79.4Confident91 Ų91112.2 Ų112.240%0.39652%0.517SS..Hα-helixtrans-73.8-41.5-175.8-175.5175.7177.5-167.20113.6W138 Y139 R140W138-K142 HydrophobicContact CH2-CD 3.51Å; W138-K142 HydrophobicContact CZ2-CD 3.55Å; W138-K142 HydrophobicContact CZ3-CD 4.07Å; W138-K142 WeakPolarHBondContact O-CB 3.27Å; W138-K142 PolarHBondContact O-N 3.29Å; Y139-K142 PolarHBondContact O-N 2.92Å; R140-K142 VanDerWaalsContact C-N 3.31Å; R140-K142 PolarHBondContact O-N 3.34Å
143Y82.9Confident77.9Confident124 Ų124111.9 Ų111.949%0.48652%0.522SS..Hα-helixtrans-110.3-10.1-169.2-65.1-75.3000114.8Y139 D145Y139-Y143 HydrophobicContact CD1-CD2 4.19Å; Y139-Y143 AromaticContact CD2-CD2 3.35Å; Y139-Y143 HydrophobicContact CD2-CD2 3.35Å; Y139-Y143 AromaticContact CD2-CE2 3.46Å; Y139-Y143 HydrophobicContact CD2-CE2 3.46Å; Y139-Y143 VanDerWaalsContact CD2-CE2 3.46Å; Y139-Y143 HydrophobicContact CE1-CD2 4.12Å; Y139-Y143 AromaticContact CE2-CD2 3.26Å; Y139-Y143 HydrophobicContact CE2-CD2 3.26Å; Y139-Y143 AromaticContact CE2-CE2 3.38Å; Y139-Y143 HydrophobicContact CE2-CE2 3.38Å; Y139-Y143 HydrophobicContact CE2-CG 4.14Å; Y139-Y143 AromaticContact CG-CD2 3.82Å; Y139-Y143 HydrophobicContact CG-CD2 3.82Å; Y139-Y143 HydrophobicContact CG-CE2 4.32Å; Y139-Y143 AromaticContact CZ-CD2 3.67Å; Y139-Y143 WeakPolarHBondContact O-CD2 3.48Å; Y139-Y143 PolarHBondContact O-N 3.34Å; Y143-D145 PolarHBondContact O-N 3.01Å
144C72.2Confident76.4Confident66 Ų66112.2 Ų112.245%0.44653%0.529SS..  trans-8449.4173.5-1530000110.5R140R140-C144 WeakPolarHBondContact O-CB 2.93Å; R140-C144 PolarHBondContact O-N 3Å
145D67.6Low75Confident62 Ų62111.3 Ų111.333%0.33252%0.524SS..  trans-103.799.5172.5-165.717.1000107.5Y143 H150Y143-D145 PolarHBondContact O-N 3.01Å; D145-H150 WeakPolarHBondContact OD1-CA 3.41Å
146N66.2Low73.6Confident94 Ų94108.7 Ų108.750%0.50353%0.532SS..  trans-88.2137.9171.1-739.3000108E148 T149 H150N146-E148 PolarHBondContact O-N 2.96Å; N146-T149 PolarHBondContact O-N 3.3Å; N146-T149 PolarHBondContact O-OG1 2.66Å; N146-H150 PolarHBondContact O-N 3.5Å
147W66Low72.5Confident199 Ų199111.4 Ų111.475%0.75454%0.543SS*.THydrogen-bonded Turntrans-51-29.1178.566.3-91.2000113.5T149 H150W147-T149 VanDerWaalsContact C-N 3.29Å; W147-T149 PolarHBondContact O-N 2.77Å; W147-H150 PolarHBondContact O-CD2 3.36Å; W147-H150 PolarHBondContact O-NE2 3.27Å
148E66.7Low71.5Confident134 Ų134113.5 Ų113.563%0.62656%0.561SS**THydrogen-bonded Turntrans-70.4-20.2176.9-63.9179174.500114.1N146N146-E148 PolarHBondContact O-N 2.96Å
149T60.4Low70.7Confident71 Ų71115.8 Ų115.844%0.43657%0.574SS.*THydrogen-bonded Turntrans-131.8-5.3-16348.10000116.6N146 W147 A151 K155N146-T149 PolarHBondContact O-N 3.3Å; N146-T149 PolarHBondContact O-OG1 2.66Å; W147-T149 VanDerWaalsContact C-N 3.29Å; W147-T149 PolarHBondContact O-N 2.77Å; T149-A151 WeakPolarHBondContact O-CB 3.36Å; T149-A151 PolarHBondContact O-N 2.84Å; T149-K155 PolarHBondContact O-NZ 3.37Å; T149-K155 VanDerWaalsContact O-NZ 3.16Å
150H60Low69.9Low149 Ų149120 Ų12069%0.6959%0.589SS**  trans30.721.1165.8-83.4-56.7000119.3D145 N146 W147D145-H150 WeakPolarHBondContact OD1-CA 3.41Å; N146-H150 PolarHBondContact O-N 3.5Å; W147-H150 PolarHBondContact O-CD2 3.36Å; W147-H150 PolarHBondContact O-NE2 3.27Å
151A58.7Low69.4Low38 Ų38122.3 Ų122.331%0.31460%0.598SS.*  trans-128.3108.1-176.900000106.8T149 S153T149-A151 WeakPolarHBondContact O-CB 3.36Å; T149-A151 PolarHBondContact O-N 2.84Å; A151-S153 PolarHBondContact O-N 3Å
152K61.3Low69.1Low136 Ų136124.6 Ų124.659%0.59161%0.607SS**  trans-64.426.9173-62.5177.7178.7172.90113
153S65.3Low68.9Low73 Ų73124.1 Ų124.151%0.5161%0.608SS.*SBendtrans-107.4148.5-16864.20000112.5A151 K155A151-S153 PolarHBondContact O-N 3Å; S153-K155 VanDerWaalsContact C-N 3.34Å; S153-K155 PolarHBondContact O-N 3.25Å
154V66Low68.9Low130 Ų130125.1 Ų125.179%0.78861%0.611SS**  trans-70.191.2169.4-178.30000107.9S156V154-S156 PolarHBondContact O-N 3.02Å
155K67.8Low69.4Low123 Ų123126.8 Ų126.854%0.53562%0.621SS.*  trans-76.3112.3176.8-63.7-173.1-173.3177.30109.7T149 S153 K157T149-K155 PolarHBondContact O-NZ 3.37Å; T149-K155 VanDerWaalsContact O-NZ 3.16Å; S153-K155 VanDerWaalsContact C-N 3.34Å; S153-K155 PolarHBondContact O-N 3.25Å; K155-K157 PolarHBondContact O-N 2.88Å
156S67.5Low70.2Confident113 Ų113127.7 Ų127.779%0.7965%0.645SS**  trans-85.2105.3164.4-174.90000108.1V154 A158V154-S156 PolarHBondContact O-N 3.02Å; S156-A158 PolarHBondContact O-N 3.3Å
157K71Confident71Confident193 Ų193127.5 Ų127.584%0.83964%0.641SS**  trans-71.6113.8163.7-68.7-172.6-178.9-1780105.9K155 F159K155-K157 PolarHBondContact O-N 2.88Å; K157-F159 PolarHBondContact O-N 3.17Å
158A71.1Confident71.8Confident87 Ų87124.2 Ų124.272%0.71965%0.646SS**  trans-53.5118.9170.900000107.4S156 R160S156-A158 PolarHBondContact O-N 3.3Å; A158-R160 PolarHBondContact O-N 3.37Å
159F73.4Confident72.3Confident179 Ų179121.1 Ų121.179%0.78565%0.65SS**  trans-61.2103.3177.9179.2-96.8000107.5K157 R161K157-F159 PolarHBondContact O-N 3.17Å; F159-R161 PolarHBondContact O-N 3.16Å
160R72.7Confident73.1Confident214 Ų214121.1 Ų121.181%0.80864%0.644SS**  trans-67.5122.7167.4-63.6-164.1-132.3178.25105.8A158 Q162A158-R160 PolarHBondContact O-N 3.37Å; R160-Q162 PolarHBondContact O-N 3.39Å
161R74.7Confident73.6Confident211 Ų211117.4 Ų117.480%0.79664%0.635SS**  trans-54.8136.8172-73.1-179.7167.3167-3.5108F159 L163F159-R161 PolarHBondContact O-N 3.16Å; R161-L163 PolarHBondContact O-N 2.94Å
162Q75.9Confident74.1Confident130 Ų130122 Ų12261%0.60766%0.659SS**  trans-61.4106.3172-174168.9-6.200107.5R160 W164R160-Q162 PolarHBondContact O-N 3.39Å; Q162-W164 HydrophobicContact CG-CZ2 4.12Å
163L79.2Confident74.2Confident80 Ų80118.3 Ų118.342%0.41965%0.654SS.*PPolyproline II helixtrans-83.2130176.2-71.5160.7000107.4R161 Q167 F170R161-L163 PolarHBondContact O-N 2.94Å; L163-Q167 HydrophobicContact CD2-CB 4.34Å; L163-F170 HydrophobicContact CB-CB 4.3Å; L163-F170 HydrophobicContact CB-CD2 3.85Å; L163-F170 VanDerWaalsContact O-CD2 3.26Å; L163-F170 WeakPolarHBondContact O-CD2 3.3Å; L163-F170 VanDerWaalsContact O-CE2 3.3Å; L163-F170 WeakPolarHBondContact O-CE2 3.26Å
164W83.6Confident73.8Confident145 Ų145126.4 Ų126.455%0.54967%0.673SS.*PPolyproline II helixtrans-96.1153.3177-58.795.2000110.7Q162 G166 Q167 F170Q162-W164 HydrophobicContact CG-CZ2 4.12Å; W164-G166 PolarHBondContact O-N 3.14Å; W164-G166 VanDerWaalsContact O-N 3.14Å; W164-Q167 PolarHBondContact O-N 3.07Å; W164-F170 WeakPolarHBondContact O-CB 3.29Å; W164-F170 VanDerWaalsContact O-CD2 3.22Å; W164-F170 WeakPolarHBondContact O-CD2 3.22Å; W164-F170 VanDerWaalsContact O-CG 3.29Å; W164-F170 WeakPolarHBondContact O-CG 3.44Å
165P83.4Confident73.3Confident101 Ų101127.9 Ų127.966%0.65667%0.669SS**THydrogen-bonded Turntrans-48.5121.8173.1-24.431.2000111.6F170P165-F170 VanDerWaalsContact CA-CE1 3.49Å; P165-F170 HydrophobicContact CB-CD1 4.42Å; P165-F170 HydrophobicContact CB-CE1 3.89Å; P165-F170 HydrophobicContact CB-CZ 3.96Å; P165-F170 HydrophobicContact CG-CE1 4.02Å; P165-F170 HydrophobicContact CG-CE2 4.05Å; P165-F170 HydrophobicContact CG-CZ 3.56Å
166G83.4Confident72.9Confident81 Ų81126.9 Ų126.984%0.83567%0.673SS**THydrogen-bonded Turntrans98.6-8.1179.700000116.5W164W164-G166 PolarHBondContact O-N 3.14Å; W164-G166 VanDerWaalsContact O-N 3.14Å
167Q84.1Confident72.4Confident90 Ų90126.7 Ų126.742%0.42166%0.663SS.*SBendtrans-77148.1172.6-72.7-171.4-28.900112.2L163 W164 G169 F170L163-Q167 HydrophobicContact CD2-CB 4.34Å; W164-Q167 PolarHBondContact O-N 3.07Å; Q167-G169 PolarHBondContact O-N 3.08Å; Q167-F170 VanDerWaalsContact O-CB 3.25Å; Q167-F170 WeakPolarHBondContact O-CB 3.25Å; Q167-F170 PolarHBondContact O-N 3.3Å
168P82.8Confident71.8Confident130 Ų130122.7 Ų122.784%0.84465%0.651SS**THydrogen-bonded Turntrans-59.9123.7174.724.6-32.7000110
169G76Confident71.3Confident69 Ų69126.7 Ų126.771%0.71165%0.653SS**THydrogen-bonded Turntrans94.4-5.8-175.300000115.4Q167 S171Q167-G169 PolarHBondContact O-N 3.08Å; G169-S171 PolarHBondContact O-N 3.2Å
170F78.4Confident71Confident71 Ų71121.7 Ų121.731%0.31165%0.652SS.*  trans-69.2114.6167.9-174.9-93.4000109.3L163 W164 P165 Q167 T172L163-F170 HydrophobicContact CB-CB 4.3Å; L163-F170 HydrophobicContact CB-CD2 3.85Å; L163-F170 VanDerWaalsContact O-CD2 3.26Å; L163-F170 WeakPolarHBondContact O-CD2 3.3Å; L163-F170 VanDerWaalsContact O-CE2 3.3Å; L163-F170 WeakPolarHBondContact O-CE2 3.26Å; W164-F170 WeakPolarHBondContact O-CB 3.29Å; W164-F170 VanDerWaalsContact O-CD2 3.22Å; W164-F170 WeakPolarHBondContact O-CD2 3.22Å; W164-F170 VanDerWaalsContact O-CG 3.29Å; W164-F170 WeakPolarHBondContact O-CG 3.44Å; P165-F170 VanDerWaalsContact CA-CE1 3.49Å; P165-F170 HydrophobicContact CB-CD1 4.42Å; P165-F170 HydrophobicContact CB-CE1 3.89Å; P165-F170 HydrophobicContact CB-CZ 3.96Å; P165-F170 HydrophobicContact CG-CE1 4.02Å; P165-F170 HydrophobicContact CG-CE2 4.05Å; P165-F170 HydrophobicContact CG-CZ 3.56Å; Q167-F170 VanDerWaalsContact O-CB 3.25Å; Q167-F170 WeakPolarHBondContact O-CB 3.25Å; Q167-F170 PolarHBondContact O-N 3.3Å; F170-T172 PolarHBondContact O-N 2.99Å
171S70.3Confident70.5Confident71 Ų71115.4 Ų115.450%0.49763%0.632SS.*  trans-68.6115.7177.160.50000109.7G169 A173G169-S171 PolarHBondContact O-N 3.2Å; S171-A173 CarbonylContact C-O 3.54Å; S171-A173 WeakPolarHBondContact CB-O 3.39Å; S171-A173 PolarHBondContact O-N 3.48Å; S171-A173 PolarHBondContact OG-O 3.19Å; S171-A173 VanDerWaalsContact OG-O 3.08Å
172T67.5Low70.2Confident134 Ų134111.9 Ų111.982%0.82263%0.625SS**SBendtrans-68.5-28.9175-21.80000111.9F170F170-T172 PolarHBondContact O-N 2.99Å
173A63.4Low70Confident59 Ų59110.3 Ų110.349%0.48862%0.621SS.*SBendtrans-73.8128.6164.800000107.7S171 K175S171-A173 CarbonylContact C-O 3.54Å; S171-A173 WeakPolarHBondContact CB-O 3.39Å; S171-A173 PolarHBondContact O-N 3.48Å; S171-A173 PolarHBondContact OG-O 3.19Å; S171-A173 VanDerWaalsContact OG-O 3.08Å; A173-K175 PolarHBondContact O-N 3.06Å
174W57.3Low69.7Low243 Ų243111.5 Ų111.592%0.9262%0.623SS**  trans-52.491.1145.8-5.172.1000105.7V176W174-V176 PolarHBondContact O-N 3.47Å
175K56.4Low69.2Low161 Ų161110.3 Ų110.370%0.763%0.627SS**  trans-68.191.5152.3-91.4-172.3171-173.60103.4A173 D177A173-K175 PolarHBondContact O-N 3.06Å; K175-D177 PolarHBondContact O-N 2.67Å
176V59.1Low68.8Low102 Ų102112.3 Ų112.362%0.61863%0.626SS**  trans-54.1107.8141.8-174.30000102.1W174 D178W174-V176 PolarHBondContact O-N 3.47Å; V176-D178 PolarHBondContact O-N 2.81Å
177D56.2Low68.4Low109 Ų109115.1 Ų115.158%0.58361%0.611SS**  trans-58.498156.9-74.7-24.4000101.9K175 F179K175-D177 PolarHBondContact O-N 2.67Å; D177-F179 PolarHBondContact O-N 3.03Å
178D58.3Low67.9Low110 Ų110116.2 Ų116.259%0.58862%0.624SS**  trans-64.186.5174.6-106-7.9000104.7V176 G180 M181 E182V176-D178 PolarHBondContact O-N 2.81Å; D178-G180 PolarHBondContact O-N 2.73Å; D178-M181 HydrophobicContact CB-CB 4.46Å; D178-M181 PolarHBondContact O-N 3.08Å; D178-E182 PolarHBondContact O-N 2.92Å
179F61.1Low67.4Low170 Ų170114.5 Ų114.575%0.74662%0.621SS**THydrogen-bonded Turntrans-58.2-24.2-177.4-129.1-82.2000110D177 M181D177-F179 PolarHBondContact O-N 3.03Å; F179-M181 VanDerWaalsContact C-N 3.3Å; F179-M181 PolarHBondContact O-N 2.93Å
180G67.8Low66.9Low74 Ų74115.9 Ų115.976%0.76361%0.611SS**THydrogen-bonded Turntrans-67.5-25174.500000114.3D178D178-G180 PolarHBondContact O-N 2.73Å
181M61.9Low66.3Low82 Ų82118.7 Ų118.740%0.40463%0.629SS.*THydrogen-bonded Turntrans-114.7-19.1-169.5-59.4-55.8-78.500115.2D178 F179 D183 F184 D185D178-M181 HydrophobicContact CB-CB 4.46Å; D178-M181 PolarHBondContact O-N 3.08Å; F179-M181 VanDerWaalsContact C-N 3.3Å; F179-M181 PolarHBondContact O-N 2.93Å; M181-D183 VanDerWaalsContact C-N 3.26Å; M181-D183 PolarHBondContact O-N 3.4Å; M181-F184 WeakPolarHBondContact O-CA 3.43Å; M181-F184 WeakPolarHBondContact O-CB 3.25Å; M181-F184 PolarHBondContact O-N 3.43Å; M181-D185 VanDerWaalsContact CE-OD1 3.26Å; M181-D185 WeakPolarHBondContact CE-OD1 3.43Å
182E68.7Low66.2Low137 Ų137117.4 Ų117.464%0.6463%0.627SS**THydrogen-bonded Turntrans29.753.4176.2-70.6-165.2167.400115.7D178 F184D178-E182 PolarHBondContact O-N 2.92Å; E182-F184 PolarHBondContact O-N 2.89Å; E182-F184 VanDerWaalsContact O-N 3.08Å
183D70.8Confident66.2Low98 Ų98119.4 Ų119.452%0.52463%0.633SS.*THydrogen-bonded Turntrans57.918.8-177.8-70.6-20.8000115.7M181 D185 K186 R187M181-D183 VanDerWaalsContact C-N 3.26Å; M181-D183 PolarHBondContact O-N 3.4Å; D183-D185 VanDerWaalsContact C-N 3.28Å; D183-D185 PolarHBondContact O-N 2.7Å; D183-K186 HydrophobicContact CB-CB 4.41Å; D183-K186 HydrophobicContact CB-CD 3.97Å; D183-K186 HydrophobicContact CB-CG 4.34Å; D183-K186 WeakPolarHBondContact O-CA 3.31Å; D183-K186 VanDerWaalsContact O-CB 3.31Å; D183-K186 WeakPolarHBondContact O-CB 3.26Å; D183-K186 PolarHBondContact O-N 3.11Å; D183-K186 VanDerWaalsContact OD1-CE 3.26Å; D183-K186 WeakPolarHBondContact OD1-CE 3.03Å; D183-K186 IonicContact OD1-NZ 3.11Å; D183-K186 PolarHBondContact OD1-NZ 2.89Å; D183-K186 IonicContact OD2-NZ 3.25Å; D183-K186 PolarHBondContact OD2-NZ 2.92Å; D183-K186 VanDerWaalsContact OD2-NZ 3.11Å; D183-R187 PolarHBondContact O-N 3.36Å
184F73.2Confident66Low104 Ų104125.8 Ų125.846%0.45665%0.649SS.*G310 helixtrans-57-39.9175.8-167.9-96.6000111.7M181 E182 K186 R187 L190M181-F184 WeakPolarHBondContact O-CA 3.43Å; M181-F184 WeakPolarHBondContact O-CB 3.25Å; M181-F184 PolarHBondContact O-N 3.43Å; E182-F184 PolarHBondContact O-N 2.89Å; E182-F184 VanDerWaalsContact O-N 3.08Å; F184-K186 PolarHBondContact O-N 3.18Å; F184-R187 VanDerWaalsContact O-CB 3.25Å; F184-R187 WeakPolarHBondContact O-CB 3.26Å; F184-R187 PolarHBondContact O-N 3.19Å; F184-L190 HydrophobicContact CE1-CD1 3.96Å; F184-L190 HydrophobicContact CE2-CD1 3.96Å; F184-L190 HydrophobicContact CZ-CD1 3.27Å
185D73.9Confident65.9Low121 Ų121119.5 Ų119.565%0.64763%0.633SS**G310 helixtrans-61-24.6173.3-73.9-1.8000113.1M181 D183 R187M181-D185 VanDerWaalsContact CE-OD1 3.26Å; M181-D185 WeakPolarHBondContact CE-OD1 3.43Å; D183-D185 VanDerWaalsContact C-N 3.28Å; D183-D185 PolarHBondContact O-N 2.7Å; D185-R187 VanDerWaalsContact C-N 3.33Å
186K74.4Confident66Low142 Ų142118 Ų11862%0.61764%0.637SS**G310 helixtrans-83.1-10.7174.6-56.6-179.8-174.1153.90112.5D183 F184 T188D183-K186 HydrophobicContact CB-CB 4.41Å; D183-K186 HydrophobicContact CB-CD 3.97Å; D183-K186 HydrophobicContact CB-CG 4.34Å; D183-K186 WeakPolarHBondContact O-CA 3.31Å; D183-K186 VanDerWaalsContact O-CB 3.31Å; D183-K186 WeakPolarHBondContact O-CB 3.26Å; D183-K186 PolarHBondContact O-N 3.11Å; D183-K186 VanDerWaalsContact OD1-CE 3.26Å; D183-K186 WeakPolarHBondContact OD1-CE 3.03Å; D183-K186 IonicContact OD1-NZ 3.11Å; D183-K186 PolarHBondContact OD1-NZ 2.89Å; D183-K186 IonicContact OD2-NZ 3.25Å; D183-K186 PolarHBondContact OD2-NZ 2.92Å; D183-K186 VanDerWaalsContact OD2-NZ 3.11Å; F184-K186 PolarHBondContact O-N 3.18Å; K186-T188 PolarHBondContact O-N 2.68Å
187R74.4Confident65.9Low140 Ų140118.6 Ų118.653%0.52864%0.641SS.*  trans-78.9103180-60.4179.9-173.6-131.73.8109D183 F184 D185 A189D183-R187 PolarHBondContact O-N 3.36Å; F184-R187 VanDerWaalsContact O-CB 3.25Å; F184-R187 WeakPolarHBondContact O-CB 3.26Å; F184-R187 PolarHBondContact O-N 3.19Å; D185-R187 VanDerWaalsContact C-N 3.33Å; R187-A189 PolarHBondContact O-N 3.21Å
188T73.9Confident65.9Low114 Ų114119.2 Ų119.270%0.69965%0.654SS**G310 helixtrans-70.7-8.4175.252.20000113.8K186 L190 L191K186-T188 PolarHBondContact O-N 2.68Å; T188-L190 PolarHBondContact O-N 3.17Å; T188-L190 VanDerWaalsContact O-N 3.14Å; T188-L191 PolarHBondContact O-N 3.14Å; T188-L191 VanDerWaalsContact O-N 3.17Å
189A72.5Confident65.7Low94 Ų94117.4 Ų117.478%0.77766%0.661SS**G310 helixtrans-60-25.7-176.700000114.1R187R187-A189 PolarHBondContact O-N 3.21Å
190L65.1Low64.8Low97 Ų97117.6 Ų117.651%0.50869%0.694SS.*G310 helixtrans-104.4-3.9-179.5-65.5173.1000114F184 T188F184-L190 HydrophobicContact CE1-CD1 3.96Å; F184-L190 HydrophobicContact CE2-CD1 3.96Å; F184-L190 HydrophobicContact CZ-CD1 3.27Å; T188-L190 PolarHBondContact O-N 3.17Å; T188-L190 VanDerWaalsContact O-N 3.14Å
191L66.1Low64.6Low131 Ų131119.8 Ų119.869%0.68669%0.69SS**  trans-93.54.3-177-84.3153.9000113.4T188T188-L191 PolarHBondContact O-N 3.14Å; T188-L191 VanDerWaalsContact O-N 3.17Å
192G69.2Low64.8Low43 Ų43121.7 Ų121.744%0.44371%0.706SS.*SBendtrans-82.7137.2176.500000112.5K194 L195G192-K194 CarbonylContact O-C 3.55Å; G192-K194 PolarHBondContact O-N 3.06Å; G192-L195 PolarHBondContact O-N 2.8Å
193D67.3Low64.6Low177 Ų177120.9 Ų120.995%0.94771%0.709SS**SBendtrans-53.3-20.9177.8-67.4-18.7000114.1L195D193-L195 VanDerWaalsContact C-N 3.31Å; D193-L195 PolarHBondContact O-N 3.03Å
194K58.3Low64.2Low193 Ų193122.2 Ų122.284%0.83972%0.72SS**  trans-87.965.4169.4-82.9-176173.6-179.40111G192 V196G192-K194 CarbonylContact O-C 3.55Å; G192-K194 PolarHBondContact O-N 3.06Å; K194-V196 VanDerWaalsContact C-N 3.31Å; K194-V196 PolarHBondContact O-N 3.3Å
195L55.8Low63.6Low110 Ų110123.4 Ų123.458%0.57674%0.737SS**  trans-67.2102.4152.1-77.1163.1000106G192 D193 T197G192-L195 PolarHBondContact O-N 2.8Å; D193-L195 VanDerWaalsContact C-N 3.31Å; D193-L195 PolarHBondContact O-N 3.03Å; L195-T197 HydrophobicContact CB-CG2 4.4Å; L195-T197 PolarHBondContact O-N 2.93Å
196V57.6Low63Low130 Ų130123.5 Ų123.579%0.78874%0.743SS**  trans-70.475.7167.6-172.90000106.2K194 S198K194-V196 VanDerWaalsContact C-N 3.31Å; K194-V196 PolarHBondContact O-N 3.3Å; V196-S198 VanDerWaalsContact C-N 3.32Å; V196-S198 PolarHBondContact O-N 2.77Å
197T57.1Low62.1Low114 Ų114122.2 Ų122.270%0.69975%0.751SS**  trans-70.999.4163.148.50000105.4L195 G199L195-T197 HydrophobicContact CB-CG2 4.4Å; L195-T197 PolarHBondContact O-N 2.93Å; T197-G199 PolarHBondContact O-N 3.25Å
198S56.5Low61.2Low123 Ų123120.8 Ų120.886%0.8677%0.769SS**SBendtrans-63.282.2167.553.60000107.9V196V196-S198 VanDerWaalsContact C-N 3.32Å; V196-S198 PolarHBondContact O-N 2.77Å
199G54.1Low60.2Low71 Ų71121.4 Ų121.473%0.73277%0.774SS**  trans-171.19.4-17000000117.3T197T197-G199 PolarHBondContact O-N 3.25Å
200A42.3Very low59Low174 Ų174123.9 Ų123.9100%1.43877%0.774SS**  trans-142.10168.700000110.7

Retrieved 200 of 200 residues in 54 ms (Link to these results)