A0A060X9I2_ONCMY Loading...

Parvin, gamma

AlphaFold DB , UniProt , Accession A0A060X9I2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene parvg, Length 319 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
1M39.9Very low35Very low233 Ų233172.9 Ų172.9100%1.14887%0.868SS**  087.90-164.4138.5-175.100104.3
2E31.9Very low35Very low185 Ų185168.1 Ų168.186%0.86485%0.847SS**  trans-107.6116-177.2-75.2-177.6157.800106.6
3D30.9Very low35Very low158 Ų158162.9 Ų162.985%0.84583%0.832SS**PPolyproline II helixtrans-73.1127.6177.6-81.6-41.1000109.9
4F36Very low34.9Very low197 Ų197162.9 Ų162.986%0.86483%0.827SS**PPolyproline II helixtrans-77.2135167.3-76.5-94.7000109.3
5P36.3Very low35.1Very low114 Ų114157.9 Ų157.974%0.7480%0.804SS**PPolyproline II helixtrans-79.1129.2171.720.6-12.9000111.1M7P5-M7 PolarHBondContact O-N 2.96Å
6D37.8Very low35.3Very low160 Ų160156 Ų15686%0.85679%0.794SS**  trans-51.4114.9170.7-81.7-42.7000112.3
7M32.2Very low35.3Very low173 Ų173156.1 Ų156.185%0.85279%0.791SS**  trans-11051.7172.2-76.9-86.3-82.400111P5P5-M7 PolarHBondContact O-N 2.96Å
8Y39.4Very low35.9Very low226 Ų226151.7 Ų151.789%0.88678%0.777SS**  trans-130.776.3164.4-71.7-75.5000109.8
9Q35.8Very low36.3Very low198 Ų198147.5 Ų147.593%0.92575%0.752SS**  trans-129.7126.1160.1-78.9-172.2-6.100109.6
10G31.1Very low36.4Very low75 Ų75146.2 Ų146.277%0.77374%0.743SS**  trans110.569.616400000115.2
11K34Very low37Very low183 Ų183141.8 Ų141.880%0.79673%0.734SS**  trans-95.9122.7141.9-87.1-170.8174.9-178.80106.6
12D34.3Very low37.9Very low115 Ų115132.4 Ų132.462%0.61569%0.688SS**  trans-59.1140.8179-74-51.6000110.7E14 D15D12-E14 PolarHBondContact O-N 3.06Å; D12-E14 VanDerWaalsContact O-N 3.12Å; D12-D15 PolarHBondContact O-N 3.37Å
13P35.2Very low39.7Very low101 Ų101131.9 Ų131.966%0.65668%0.678SS**THydrogen-bonded Turntrans-64.4-12.2178.723.3-31000113.8I16P13-I16 PolarHBondContact O-N 2.8Å
14E33.7Very low41.9Very low163 Ų163129.9 Ų129.976%0.76266%0.658SS**Hα-helixtrans-71.4-26.2175.5-66.3-171.7167.800113.1D12 I16D12-E14 PolarHBondContact O-N 3.06Å; D12-E14 VanDerWaalsContact O-N 3.12Å; E14-I16 VanDerWaalsContact C-N 3.3Å; E14-I16 PolarHBondContact O-N 2.92Å
15D38.5Very low44.3Very low88 Ų88123 Ų12347%0.47163%0.628SS.*Hα-helixtrans-68.6-30.5177-87.8-19.5000111.8D12 S18 F19D12-D15 PolarHBondContact O-N 3.37Å; D15-S18 PolarHBondContact O-N 3.4Å; D15-F19 WeakPolarHBondContact O-CD2 3.41Å; D15-F19 WeakPolarHBondContact O-CE2 3.36Å
16I37.8Very low46.6Very low127 Ų127121.5 Ų121.565%0.65161%0.613SS**Hα-helixtrans-75.5-27.5-173.3-59175.4000111.4P13 E14P13-I16 PolarHBondContact O-N 2.8Å; E14-I16 VanDerWaalsContact C-N 3.3Å; E14-I16 PolarHBondContact O-N 2.92Å
17E36Very low49.1Very low158 Ų158114.6 Ų114.674%0.73858%0.576SS**Hα-helixtrans-77.9-24.9176.8-70-168.8158.700112.9F19E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.35Å
18S45.3Very low51.7Low77 Ų77107.3 Ų107.354%0.53854%0.54SS..THydrogen-bonded Turntrans-72.9-16.7-178.8-176.70000114.7D15D15-S18 PolarHBondContact O-N 3.4Å
19F43.9Very low54Low72 Ų72101.2 Ų101.232%0.31653%0.528SS..THydrogen-bonded Turntrans-92.3-7-176.9-67.1-81.4000113.9D15 E17 G21 E22 R24 V164D15-F19 WeakPolarHBondContact O-CD2 3.41Å; D15-F19 WeakPolarHBondContact O-CE2 3.36Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.35Å; F19-G21 PolarHBondContact O-N 3.43Å; F19-E22 PolarHBondContact O-N 2.86Å; F19-E22 VanDerWaalsContact O-N 3.09Å; F19-R24 VanDerWaalsContact CE1-NH2 3.27Å; F19-V164 HydrophobicContact CB-CB 4.36Å; F19-V164 HydrophobicContact CB-CG1 4.23Å; F19-V164 HydrophobicContact CB-CG2 4.27Å; F19-V164 WeakPolarHBondContact O-CB 3.3Å
20Q38.4Very low56.3Low120 Ų12096.3 Ų96.356%0.56151%0.511SS*.THydrogen-bonded Turntrans-63.2111.3-177-78-170.38.200111.2
21G49.5Very low59Low54 Ų5493.4 Ų93.456%0.55748%0.479SS*.THydrogen-bonded Turntrans87.51.9-18000000115.5F19 R23 V164F19-G21 PolarHBondContact O-N 3.43Å; G21-R23 PolarHBondContact O-N 3.17Å; G21-V164 PolarHBondContact N-O 2.83Å; G21-V164 VanDerWaalsContact N-O 3.09Å
22E57.4Low61.5Low37 Ų3787.9 Ų87.917%0.17346%0.458CS..  trans-73.1116.8173.4-73.6-156.6142.900110.6F19 R24 K124F19-E22 PolarHBondContact O-N 2.86Å; F19-E22 VanDerWaalsContact O-N 3.09Å; E22-R24 IonicContact OE2-CZ 2.93Å; E22-R24 IonicContact OE2-NE 3.52Å; E22-R24 PolarHBondContact OE2-NE 2.8Å; E22-R24 IonicContact OE2-NH2 3.65Å; E22-R24 PolarHBondContact OE2-NH2 3.44Å; E22-K124 IonicContact OE1-NZ 2.88Å; E22-K124 PolarHBondContact OE1-NZ 3Å
23R69.3Low64.1Low174 Ų17490.8 Ų90.866%0.65747%0.465SS*.EExtended strand (participates in β ladder)trans-91.3115.8166.9-71.1-178.7179.5178.2-1.7108.6G21 L161 L162 E163G21-R23 PolarHBondContact O-N 3.17Å; R23-L161 HydrophobicContact CB-CD1 4.21Å; R23-L162 WeakPolarHBondContact CA-O 3.25Å; R23-E163 HydrophobicContact CG-CB 4.26Å; R23-E163 HydrophobicContact CG-CG 4.02Å; R23-E163 IonicContact CZ-OE1 2.82Å; R23-E163 IonicContact NE-OE1 3.84Å; R23-E163 PolarHBondContact NE-OE1 3.17Å; R23-E163 IonicContact NH2-OE1 2.61Å; R23-E163 PolarHBondContact NH2-OE1 3.36Å
24R78.1Confident66.7Low115 Ų11588.3 Ų88.343%0.43445%0.446SS..EExtended strand (participates in β ladder)trans-117.9135.4177.5-64.6-175.3-177.7-162.2-1.2110.1F19 E22 I26 L161 L162F19-R24 VanDerWaalsContact CE1-NH2 3.27Å; E22-R24 IonicContact OE2-CZ 2.93Å; E22-R24 IonicContact OE2-NE 3.52Å; E22-R24 PolarHBondContact OE2-NE 2.8Å; E22-R24 IonicContact OE2-NH2 3.65Å; E22-R24 PolarHBondContact OE2-NH2 3.44Å; R24-I26 HydrophobicContact CB-CG1 4.47Å; R24-L161 CarbonylContact O-C 3.59Å; R24-L161 WeakPolarHBondContact O-CA 3.48Å; R24-L162 PolarHBondContact N-O 3.34Å; R24-L162 PolarHBondContact O-N 3.48Å
25K85.9Confident69.6Low53 Ų5385.4 Ų85.423%0.2344%0.442CS..EExtended strand (participates in β ladder)trans-108.6112.9177.4-168.2167.1-176.1158.80108.1L132 V159 E174 E176K25-L132 HydrophobicContact CD-CD2 3.96Å; K25-L132 HydrophobicContact CG-CD2 3.89Å; K25-V159 HydrophobicContact CD-CG2 4.18Å; K25-V159 HydrophobicContact CG-CB 3.93Å; K25-V159 HydrophobicContact CG-CG1 4.43Å; K25-V159 HydrophobicContact CG-CG2 3.91Å; K25-E174 IonicContact NZ-OE1 2.81Å; K25-E174 IonicContact NZ-OE2 3.24Å; K25-E174 PolarHBondContact NZ-OE2 3.39Å; K25-E176 VanDerWaalsContact CE-OE2 3.27Å; K25-E176 WeakPolarHBondContact CE-OE2 3.4Å; K25-E176 IonicContact NZ-OE2 2.63Å; K25-E176 PolarHBondContact NZ-OE2 3.25Å
26I85.4Confident72.1Confident83 Ų8385.8 Ų85.843%0.42644%0.439SS..EExtended strand (participates in β ladder)trans-120.3133.5-172.6-58.8174000109.4R24 Q28 V159 V160 L162R24-I26 HydrophobicContact CB-CG1 4.47Å; I26-Q28 PolarHBondContact O-N 3.3Å; I26-V159 CarbonylContact O-C 3.59Å; I26-V159 VanDerWaalsContact O-CA 3.23Å; I26-V159 WeakPolarHBondContact O-CA 3.44Å; I26-V160 PolarHBondContact N-O 2.95Å; I26-V160 PolarHBondContact O-N 3.04Å; I26-L162 HydrophobicContact CD1-CD1 3.69Å
27I89.3Confident74.8Confident15 Ų1579.7 Ų79.78%0.07741%0.408CS..EExtended strand (participates in β ladder)trans-65.7132.7174.8-57.3174.4000109.6L32 L131 L132 V157 V159I27-L32 HydrophobicContact CB-CD2 4.17Å; I27-L32 HydrophobicContact CB-CG 4.42Å; I27-L32 HydrophobicContact CD1-CD2 4.36Å; I27-L32 HydrophobicContact CG2-CD2 3.84Å; I27-L32 HydrophobicContact CG2-CG 3.92Å; I27-L131 HydrophobicContact CD1-CB 4.41Å; I27-L131 HydrophobicContact CD1-CD2 4.22Å; I27-L131 HydrophobicContact CD1-CG 4.27Å; I27-L132 HydrophobicContact CD1-CB 4.01Å; I27-L132 HydrophobicContact CD1-CD1 4Å; I27-L132 HydrophobicContact CG1-CB 4.06Å; I27-L132 HydrophobicContact CG1-CD1 4Å; I27-V157 HydrophobicContact CG1-CG2 4.42Å; I27-V157 HydrophobicContact CG2-CB 4.18Å; I27-V159 HydrophobicContact CG1-CG1 4.35Å
28Q87.3Confident77.6Confident19 Ų1976.2 Ų76.29%0.08939%0.392CS..  trans-65.4141.2176.6-75.3-1673800111.6I26 T30 S31 L32 E158 V160I26-Q28 PolarHBondContact O-N 3.3Å; Q28-T30 PolarHBondContact O-N 3.18Å; Q28-S31 WeakPolarHBondContact O-CB 3.36Å; Q28-S31 PolarHBondContact O-N 3.03Å; Q28-L32 PolarHBondContact O-N 3.15Å; Q28-L32 VanDerWaalsContact O-N 3.13Å; Q28-E158 HydrophobicContact CB-CB 4.36Å; Q28-E158 WeakPolarHBondContact CB-O 3.45Å; Q28-E158 VanDerWaalsContact CD-OE1 3.32Å; Q28-E158 HydrophobicContact CG-CB 4.39Å; Q28-E158 HydrophobicContact CG-CG 4.33Å; Q28-E158 PolarHBondContact N-O 3.16Å; Q28-E158 VanDerWaalsContact NE2-CG 3.3Å; Q28-E158 PolarHBondContact NE2-OE1 3.14Å; Q28-E158 PolarHBondContact OE1-OE1 3.4Å; Q28-E158 PolarHBondContact OE1-OE2 3.37Å; Q28-V160 HydrophobicContact CG-CG2 3.48Å; Q28-V160 VanDerWaalsContact CG-CG2 3.48Å; Q28-V160 VanDerWaalsContact NE2-CG2 3.34Å
29P87.9Confident80Confident98 Ų9878.1 Ų78.164%0.63639%0.39SS*.THydrogen-bonded Turntrans-55.9-26.4178.4-27.634.9000114.7
30T84.8Confident82.5Confident95 Ų9574.7 Ų74.758%0.58338%0.375SS*.THydrogen-bonded Turntrans-68.3-42.8174.146.50000111.9Q28 L32 K33Q28-T30 PolarHBondContact O-N 3.18Å; T30-L32 VanDerWaalsContact C-N 3.34Å; T30-K33 PolarHBondContact O-N 3.44Å
31S86.9Confident85.3Confident14 Ų1470.9 Ų70.910%0.09836%0.357CS..G310 helixtrans-71.1-28.7178.2-65.40000112.5Q28 K33 D34 L37 E158Q28-S31 WeakPolarHBondContact O-CB 3.36Å; Q28-S31 PolarHBondContact O-N 3.03Å; S31-K33 PolarHBondContact O-N 3.41Å; S31-K33 VanDerWaalsContact O-N 3.17Å; S31-D34 WeakPolarHBondContact O-CB 3.29Å; S31-D34 PolarHBondContact O-N 2.98Å; S31-L37 WeakPolarHBondContact O-CD2 3.41Å; S31-E158 WeakPolarHBondContact OG-CB 3.47Å; S31-E158 PolarHBondContact OG-N 2.77Å
32L87.2Confident87.5Confident67 Ų6770.9 Ų70.935%0.35135%0.349SS..G310 helixtrans-61.8-20.3172.7-71.1176.3000113.4I27 Q28 T30 L37 L131I27-L32 HydrophobicContact CB-CD2 4.17Å; I27-L32 HydrophobicContact CB-CG 4.42Å; I27-L32 HydrophobicContact CD1-CD2 4.36Å; I27-L32 HydrophobicContact CG2-CD2 3.84Å; I27-L32 HydrophobicContact CG2-CG 3.92Å; Q28-L32 PolarHBondContact O-N 3.15Å; Q28-L32 VanDerWaalsContact O-N 3.13Å; T30-L32 VanDerWaalsContact C-N 3.34Å; L32-L37 HydrophobicContact CD2-CD2 4.33Å; L32-L131 HydrophobicContact CD2-CD2 3.82Å
33K88Confident89.4Confident176 Ų17670.1 Ų70.177%0.76535%0.346SS*.G310 helixtrans-96.44.2176.7-61.6179.7-178.5-179.90112.8T30 S31T30-K33 PolarHBondContact O-N 3.44Å; S31-K33 PolarHBondContact O-N 3.41Å; S31-K33 VanDerWaalsContact O-N 3.17Å
34D91.2Very high90.8Very high49 Ų4961.8 Ų61.826%0.26232%0.315SS..  trans-67.2125179.6-170.9-43.5000110.1S31 K36 L37 E38S31-D34 WeakPolarHBondContact O-CB 3.29Å; S31-D34 PolarHBondContact O-N 2.98Å; D34-K36 PolarHBondContact O-N 3.14Å; D34-K36 VanDerWaalsContact OD1-CB 3.29Å; D34-K36 WeakPolarHBondContact OD1-CB 3.38Å; D34-K36 PolarHBondContact OD1-N 2.92Å; D34-L37 HydrophobicContact CB-CB 4.12Å; D34-L37 PolarHBondContact O-N 2.92Å; D34-L37 VanDerWaalsContact O-N 3.15Å; D34-E38 PolarHBondContact O-N 3.29Å
35P93Very high91.7Very high102 Ų10257.3 Ų57.366%0.66230%0.3SS*.Hα-helixtrans-61.1-29179.725.6-35.4000113.6K39P35-K39 WeakPolarHBondContact O-CB 3.34Å; P35-K39 PolarHBondContact O-N 3.12Å
36K92.1Very high92.2Very high96 Ų9659.4 Ų59.442%0.41731%0.314SS..Hα-helixtrans-69.7-40.8175.6-67.3-172.1174.5-169.70111.6D34 K39 L40 V155D34-K36 PolarHBondContact O-N 3.14Å; D34-K36 VanDerWaalsContact OD1-CB 3.29Å; D34-K36 WeakPolarHBondContact OD1-CB 3.38Å; D34-K36 PolarHBondContact OD1-N 2.92Å; K36-K39 PolarHBondContact O-N 2.99Å; K36-L40 PolarHBondContact O-N 3.42Å; K36-V155 HydrophobicContact CB-CG2 4.25Å
37L93.8Very high92.8Very high0 Ų055.6 Ų55.60%029%0.294CS..Hα-helixtrans-65.1-44.9176.1-179.864000110.9S31 L32 D34 K39 L40 K41 L135 V155 V157 L178S31-L37 WeakPolarHBondContact O-CD2 3.41Å; L32-L37 HydrophobicContact CD2-CD2 4.33Å; D34-L37 HydrophobicContact CB-CB 4.12Å; D34-L37 PolarHBondContact O-N 2.92Å; D34-L37 VanDerWaalsContact O-N 3.15Å; L37-K39 VanDerWaalsContact C-N 3.3Å; L37-K39 PolarHBondContact O-N 3.49Å; L37-L40 WeakPolarHBondContact O-CB 3.42Å; L37-L40 PolarHBondContact O-N 2.99Å; L37-K41 HydrophobicContact CG-CD 4.35Å; L37-K41 WeakPolarHBondContact O-CG 3.48Å; L37-K41 PolarHBondContact O-N 3.22Å; L37-L135 HydrophobicContact CD1-CD1 3.72Å; L37-V155 HydrophobicContact CB-CG1 4.44Å; L37-V155 HydrophobicContact CD1-CG1 4.29Å; L37-V157 HydrophobicContact CB-CG1 4.47Å; L37-V157 HydrophobicContact CD1-CG1 3.91Å; L37-V157 HydrophobicContact CD2-CG1 3.81Å; L37-V157 HydrophobicContact CG-CG1 4.28Å; L37-L178 HydrophobicContact CD1-CD1 3.5Å; L37-L178 VanDerWaalsContact CD1-CD1 3.5Å
38E94.9Very high93.2Very high85 Ų8554.9 Ų54.940%0.39729%0.29SS..Hα-helixtrans-61.8-39.1175.3-77.3-60.213400111.9D34 K41 S42D34-E38 PolarHBondContact O-N 3.29Å; E38-K41 PolarHBondContact O-N 2.87Å; E38-K41 IonicContact OE1-NZ 2.75Å; E38-K41 PolarHBondContact OE1-NZ 2.7Å; E38-K41 IonicContact OE2-NZ 3.65Å; E38-S42 WeakPolarHBondContact O-CB 3.46Å; E38-S42 PolarHBondContact O-N 3.43Å
39K95.3Very high93.6Very high117 Ų11755.6 Ų55.651%0.50930%0.295SS..Hα-helixtrans-62.9-43.2173.2-176.761179.8177.70111.9P35 K36 L37 S42 V43 P152P35-K39 WeakPolarHBondContact O-CB 3.34Å; P35-K39 PolarHBondContact O-N 3.12Å; K36-K39 PolarHBondContact O-N 2.99Å; L37-K39 VanDerWaalsContact C-N 3.3Å; L37-K39 PolarHBondContact O-N 3.49Å; K39-S42 PolarHBondContact O-N 3.43Å; K39-V43 HydrophobicContact CD-CG2 4.42Å; K39-V43 WeakPolarHBondContact O-CG2 3.26Å; K39-V43 PolarHBondContact O-N 3.03Å; K39-P152 HydrophobicContact CB-CG 4.28Å; K39-P152 HydrophobicContact CG-CB 4.46Å; K39-P152 HydrophobicContact CG-CG 3.72Å
40L96.4Very high94Very high0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-60.2-49.3176.3175.362.7000110.8K36 L37 S42 V43 L44 L135 V139 L151 P152 V155 L178 T179K36-L40 PolarHBondContact O-N 3.42Å; L37-L40 WeakPolarHBondContact O-CB 3.42Å; L37-L40 PolarHBondContact O-N 2.99Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.98Å; L40-V43 PolarHBondContact O-N 3.43Å; L40-L44 HydrophobicContact CD1-CD1 4.1Å; L40-L44 HydrophobicContact CD1-CG 4.15Å; L40-L44 HydrophobicContact CG-CD1 4.09Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 2.9Å; L40-L135 HydrophobicContact CD2-CD2 4.46Å; L40-V139 HydrophobicContact CD1-CG2 4.18Å; L40-V139 HydrophobicContact CD2-CG2 4.38Å; L40-L151 HydrophobicContact CD1-CD2 4.01Å; L40-P152 HydrophobicContact CB-CG 4.29Å; L40-V155 HydrophobicContact CB-CG1 4.48Å; L40-V155 HydrophobicContact CB-CG2 4.23Å; L40-V155 HydrophobicContact CD2-CB 4.23Å; L40-V155 HydrophobicContact CD2-CG1 3.94Å; L40-V155 HydrophobicContact CD2-CG2 4.31Å; L40-L178 HydrophobicContact CD2-CB 3.95Å; L40-L178 HydrophobicContact CD2-CD1 4.01Å; L40-T179 HydrophobicContact CD1-CG2 4.04Å; L40-T179 HydrophobicContact CD2-CG2 4.25Å
41K96.8Very high94.5Very high39 Ų3950.9 Ų50.917%0.1727%0.267CS..Hα-helixtrans-54.5-47.1175.8-72168.863.1-171.90111.2L37 E38 V43 L44 V45 L62 L135L37-K41 HydrophobicContact CG-CD 4.35Å; L37-K41 WeakPolarHBondContact O-CG 3.48Å; L37-K41 PolarHBondContact O-N 3.22Å; E38-K41 PolarHBondContact O-N 2.87Å; E38-K41 IonicContact OE1-NZ 2.75Å; E38-K41 PolarHBondContact OE1-NZ 2.7Å; E38-K41 IonicContact OE2-NZ 3.65Å; K41-V43 PolarHBondContact O-N 3.41Å; K41-L44 PolarHBondContact O-N 3.04Å; K41-V45 WeakPolarHBondContact O-CG2 3.43Å; K41-V45 PolarHBondContact O-N 2.88Å; K41-L62 HydrophobicContact CB-CD1 4.3Å; K41-L62 HydrophobicContact CG-CD1 4.2Å; K41-L135 HydrophobicContact CG-CD2 4.07Å
42S97.1Very high94.9Very high55 Ų5550.2 Ų50.239%0.38526%0.262SS..Hα-helixtrans-61.8-43.2178.2-179.60000112.9E38 K39 L40 V45 N46E38-S42 WeakPolarHBondContact O-CB 3.46Å; E38-S42 PolarHBondContact O-N 3.43Å; K39-S42 PolarHBondContact O-N 3.43Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.98Å; S42-V45 PolarHBondContact O-N 3.24Å; S42-N46 WeakPolarHBondContact O-CB 3.36Å; S42-N46 PolarHBondContact O-N 3.35Å; S42-N46 PolarHBondContact O-ND2 3.06Å; S42-N46 VanDerWaalsContact O-ND2 3.1Å
43V97.3Very high95.2Very high20 Ų2054.3 Ų54.312%0.12128%0.278CS..Hα-helixtrans-61.9-45176.7170.20000110.9K39 L40 K41 N46 W47 L149 L151 P152K39-V43 HydrophobicContact CD-CG2 4.42Å; K39-V43 WeakPolarHBondContact O-CG2 3.26Å; K39-V43 PolarHBondContact O-N 3.03Å; L40-V43 PolarHBondContact O-N 3.43Å; K41-V43 PolarHBondContact O-N 3.41Å; V43-N46 PolarHBondContact O-N 3.34Å; V43-W47 WeakPolarHBondContact O-CB 3.37Å; V43-W47 PolarHBondContact O-N 3.48Å; V43-L149 HydrophobicContact CG1-CD1 4.43Å; V43-L149 HydrophobicContact CG1-CD2 4.21Å; V43-L149 HydrophobicContact CG1-CG 4.36Å; V43-L151 HydrophobicContact CG1-CD2 4.02Å; V43-P152 HydrophobicContact CG2-CG 4.37Å
44L97.6Very high95.3Very high0 Ų052.5 Ų52.50%027%0.272CS..Hα-helixtrans-64.4-44.3178.3-66.7175.1000112.1L40 K41 N46 W47 I48 L62 L135 L138 V139 V142 L151L40-L44 HydrophobicContact CD1-CD1 4.1Å; L40-L44 HydrophobicContact CD1-CG 4.15Å; L40-L44 HydrophobicContact CG-CD1 4.09Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 2.9Å; K41-L44 PolarHBondContact O-N 3.04Å; L44-N46 PolarHBondContact O-N 2.96Å; L44-W47 HydrophobicContact CD2-CE3 4.46Å; L44-W47 WeakPolarHBondContact O-CB 3.42Å; L44-W47 PolarHBondContact O-N 3.09Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.32Å; L44-I48 PolarHBondContact O-N 3.48Å; L44-L62 HydrophobicContact CB-CD1 4.06Å; L44-L62 HydrophobicContact CB-CD2 4.36Å; L44-L62 HydrophobicContact CD1-CD1 4.05Å; L44-L135 HydrophobicContact CD1-CD2 3.68Å; L44-L138 HydrophobicContact CB-CD1 4.43Å; L44-L138 HydrophobicContact CD1-CB 4Å; L44-L138 HydrophobicContact CD1-CD1 4.14Å; L44-L138 HydrophobicContact CD2-CB 4.09Å; L44-V139 HydrophobicContact CD1-CG2 4.44Å; L44-V142 HydrophobicContact CD2-CG2 3.75Å; L44-L151 HydrophobicContact CD2-CD2 4.09Å
45V97.9Very high95.2Very high21 Ų2153.3 Ų53.313%0.12727%0.274CS..Hα-helixtrans-59.8-46.9175.3169.20000111K41 S42 W47 I48 N49 V59 L62K41-V45 WeakPolarHBondContact O-CG2 3.43Å; K41-V45 PolarHBondContact O-N 2.88Å; S42-V45 PolarHBondContact O-N 3.24Å; V45-W47 VanDerWaalsContact C-N 3.3Å; V45-W47 PolarHBondContact O-N 3.36Å; V45-I48 PolarHBondContact O-N 3.45Å; V45-N49 WeakPolarHBondContact CG1-ND2 3.36Å; V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 VanDerWaalsContact O-CG 3.26Å; V45-N49 PolarHBondContact O-N 2.8Å; V45-N49 PolarHBondContact O-ND2 3.39Å; V45-V59 WeakPolarHBondContact CG1-O 3.45Å; V45-V59 HydrophobicContact CG2-CG1 4.33Å; V45-L62 HydrophobicContact CG2-CD2 3.57Å; V45-L62 HydrophobicContact CG2-CG 3.91Å
46N97Very high95.2Very high96 Ų9656.5 Ų56.551%0.51328%0.28SS..Hα-helixtrans-62.9-38.7178.3-71.8-29.3000112S42 V43 L44 S50S42-N46 WeakPolarHBondContact O-CB 3.36Å; S42-N46 PolarHBondContact O-N 3.35Å; S42-N46 PolarHBondContact O-ND2 3.06Å; S42-N46 VanDerWaalsContact O-ND2 3.1Å; V43-N46 PolarHBondContact O-N 3.34Å; L44-N46 PolarHBondContact O-N 2.96Å; N46-S50 VanDerWaalsContact O-CB 3.3Å; N46-S50 WeakPolarHBondContact O-CB 3.25Å; N46-S50 PolarHBondContact O-N 3.02Å; N46-S50 PolarHBondContact O-OG 3.36Å
47W97.3Very high95.2Very high3 Ų353.3 Ų53.31%0.01127%0.267CS..Hα-helixtrans-62.9-49.8175.9168.460.3000111.9V43 L44 V45 N49 S50 T51 L79 L138 M141 V142 Q146 L149V43-W47 WeakPolarHBondContact O-CB 3.37Å; V43-W47 PolarHBondContact O-N 3.48Å; L44-W47 HydrophobicContact CD2-CE3 4.46Å; L44-W47 WeakPolarHBondContact O-CB 3.42Å; L44-W47 PolarHBondContact O-N 3.09Å; V45-W47 VanDerWaalsContact C-N 3.3Å; V45-W47 PolarHBondContact O-N 3.36Å; W47-N49 PolarHBondContact O-N 2.96Å; W47-S50 PolarHBondContact O-N 3.12Å; W47-S50 PolarHBondContact O-OG 3.14Å; W47-T51 PolarHBondContact NE1-OG1 2.81Å; W47-T51 WeakPolarHBondContact O-CB 3.5Å; W47-T51 PolarHBondContact O-N 3.2Å; W47-T51 PolarHBondContact O-OG1 3.44Å; W47-L79 HydrophobicContact CH2-CD1 4.08Å; W47-L79 HydrophobicContact CZ2-CD1 3.58Å; W47-L138 HydrophobicContact CZ3-CD2 4.16Å; W47-M141 HydrophobicContact CH2-CB 3.92Å; W47-V142 HydrophobicContact CD2-CG2 3.6Å; W47-V142 HydrophobicContact CE3-CG2 3.45Å; W47-V142 VanDerWaalsContact CE3-CG2 3.45Å; W47-V142 HydrophobicContact CG-CG2 4.31Å; W47-V142 HydrophobicContact CH2-CG2 3.85Å; W47-V142 HydrophobicContact CZ2-CG2 3.98Å; W47-V142 HydrophobicContact CZ3-CG2 3.59Å; W47-Q146 VanDerWaalsContact CD1-CD 3.5Å; W47-L149 HydrophobicContact CB-CD2 3.62Å; W47-L149 HydrophobicContact CD2-CD2 4.37Å; W47-L149 HydrophobicContact CG-CD2 3.6Å
48I97.3Very high95.3Very high0 Ų058.3 Ų58.30%030%0.297CS..Hα-helixtrans-59.6-49.4177.8-63.2167.2000110.3L44 V45 S50 T51 L52 V59 L62 I66 I71 L75 L138L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.32Å; L44-I48 PolarHBondContact O-N 3.48Å; V45-I48 PolarHBondContact O-N 3.45Å; I48-S50 VanDerWaalsContact C-N 3.31Å; I48-S50 PolarHBondContact O-N 3.02Å; I48-T51 PolarHBondContact O-N 2.86Å; I48-L52 HydrophobicContact CG2-CD1 3.95Å; I48-L52 HydrophobicContact CG2-CG 4.42Å; I48-L52 PolarHBondContact O-N 2.68Å; I48-V59 HydrophobicContact CG2-CB 4.35Å; I48-V59 HydrophobicContact CG2-CG2 3.66Å; I48-L62 HydrophobicContact CD1-CD2 3.83Å; I48-I66 HydrophobicContact CD1-CD1 4.11Å; I48-I71 HydrophobicContact CG2-CG2 3.63Å; I48-L75 HydrophobicContact CG1-CD1 4.14Å; I48-L75 HydrophobicContact CG2-CD1 4.42Å; I48-L75 HydrophobicContact CG2-CD2 4.39Å; I48-L138 HydrophobicContact CD1-CD1 4.2Å; I48-L138 HydrophobicContact CD1-CD2 3.94Å
49N97Very high95.3Very high35 Ų3554.4 Ų54.419%0.18728%0.279CS..Hα-helixtrans-63.6-35-178.4-72.9-16000113.2V45 W47 K53 V59V45-N49 WeakPolarHBondContact CG1-ND2 3.36Å; V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 VanDerWaalsContact O-CG 3.26Å; V45-N49 PolarHBondContact O-N 2.8Å; V45-N49 PolarHBondContact O-ND2 3.39Å; W47-N49 PolarHBondContact O-N 2.96Å; N49-K53 WeakPolarHBondContact O-CA 3.12Å; N49-K53 WeakPolarHBondContact O-CB 3.49Å; N49-K53 PolarHBondContact O-N 2.98Å; N49-V59 PolarHBondContact ND2-O 3.01Å; N49-V59 WeakPolarHBondContact OD1-CB 3.38Å; N49-V59 PolarHBondContact OD1-N 3.39Å
50S95.4Very high95.3Very high74 Ų7456.9 Ų56.952%0.51729%0.292SS..Hα-helixtrans-73.3-37.8175.1590000112.1N46 W47 I48N46-S50 VanDerWaalsContact O-CB 3.3Å; N46-S50 WeakPolarHBondContact O-CB 3.25Å; N46-S50 PolarHBondContact O-N 3.02Å; N46-S50 PolarHBondContact O-OG 3.36Å; W47-S50 PolarHBondContact O-N 3.12Å; W47-S50 PolarHBondContact O-OG 3.14Å; I48-S50 VanDerWaalsContact C-N 3.31Å; I48-S50 PolarHBondContact O-N 3.02Å
51T94.8Very high95.2Very high19 Ų1958.4 Ų58.412%0.11730%0.303CS..Hα-helixtrans-66.7-42.2178.5-57.10000111.9W47 I48 L75 R78 L79W47-T51 PolarHBondContact NE1-OG1 2.81Å; W47-T51 WeakPolarHBondContact O-CB 3.5Å; W47-T51 PolarHBondContact O-N 3.2Å; W47-T51 PolarHBondContact O-OG1 3.44Å; I48-T51 PolarHBondContact O-N 2.86Å; T51-L75 HydrophobicContact CG2-CD2 3.83Å; T51-R78 HydrophobicContact CG2-CB 4.28Å; T51-L79 HydrophobicContact CG2-CD2 3.86Å; T51-L79 HydrophobicContact CG2-CG 4.14Å
52L94.9Very high95.2Very high0 Ų056.7 Ų56.70%030%0.296CS..THydrogen-bonded Turntrans-98.113.7-176.2-55.4-175.7000113.7I48 E54 E55 H56 I57 I71 H74 L75 R78I48-L52 HydrophobicContact CG2-CD1 3.95Å; I48-L52 HydrophobicContact CG2-CG 4.42Å; I48-L52 PolarHBondContact O-N 2.68Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.19Å; L52-E55 PolarHBondContact O-N 3.36Å; L52-H56 PolarHBondContact O-N 3.47Å; L52-I57 HydrophobicContact CB-CB 3.95Å; L52-I57 HydrophobicContact CB-CD1 4.46Å; L52-I57 HydrophobicContact CB-CG2 4.39Å; L52-I57 HydrophobicContact CD1-CB 4.24Å; L52-I57 HydrophobicContact CD1-CD1 4.09Å; L52-I57 HydrophobicContact CD1-CG2 3.89Å; L52-I71 HydrophobicContact CD1-CG2 4.17Å; L52-H74 HydrophobicContact CD1-CB 3.98Å; L52-H74 HydrophobicContact CD2-CB 3.8Å; L52-L75 HydrophobicContact CD1-CD2 4.17Å; L52-L75 HydrophobicContact CD1-CG 4.16Å; L52-L75 HydrophobicContact CD2-CD2 3.97Å; L52-L75 HydrophobicContact CD2-CG 4.38Å; L52-L75 HydrophobicContact CG-CD2 3.93Å; L52-L75 HydrophobicContact CG-CG 4.42Å; L52-R78 HydrophobicContact CD2-CB 4.48Å; L52-R78 HydrophobicContact CD2-CG 3.92Å
53K93.6Very high94.9Very high154 Ų15456.7 Ų56.767%0.6729%0.29SS*.G310 helixtrans-58.2-38.1-176.5-172.7179.5178.3-176.90113.1N49 E55 H56N49-K53 WeakPolarHBondContact O-CA 3.12Å; N49-K53 WeakPolarHBondContact O-CB 3.49Å; N49-K53 PolarHBondContact O-N 2.98Å; K53-E55 PolarHBondContact O-N 3.07Å; K53-H56 PolarHBondContact O-N 2.93Å
54E90.9Very high94.8Very high138 Ų13860.2 Ų60.265%0.64531%0.305SS*.G310 helixtrans-68.2-21.7179.6-68.1-177.9176.100112.8L52 H56 R78L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.19Å; E54-H56 VanDerWaalsContact C-N 3.34Å; E54-R78 VanDerWaalsContact CD-NH2 3.27Å; E54-R78 IonicContact OE1-NH2 3.32Å; E54-R78 IonicContact OE2-CZ 2.79Å; E54-R78 IonicContact OE2-NH1 3.81Å; E54-R78 PolarHBondContact OE2-NH1 3.48Å; E54-R78 IonicContact OE2-NH2 3.94Å; E54-R78 PolarHBondContact OE2-NH2 3.13Å
55E89.3Confident94.7Very high65 Ų6562.8 Ų62.830%0.30432%0.319SS..G310 helixtrans-94.73.7178.6-66167.9-114.100111.8L52 K53 I57 H74 R78L52-E55 PolarHBondContact O-N 3.36Å; K53-E55 PolarHBondContact O-N 3.07Å; E55-I57 HydrophobicContact CB-CD1 3.95Å; E55-I57 HydrophobicContact CB-CG1 4.12Å; E55-I57 PolarHBondContact O-N 3.1Å; E55-H74 IonicContact OE2-CE1 3.95Å; E55-H74 IonicContact OE2-CG 2.76Å; E55-H74 IonicContact OE2-ND1 2.59Å; E55-H74 PolarHBondContact OE2-ND1 3.2Å; E55-R78 WeakPolarHBondContact OE1-CD 3.36Å; E55-R78 WeakPolarHBondContact OE1-CG 3.5Å; E55-R78 IonicContact OE1-NE 3.17Å
56H92.3Very high94.6Very high170 Ų17061.8 Ų61.879%0.78731%0.313SS*.THydrogen-bonded Turntrans57.626.8-178.9-58.8-74.3000114.2L52 K53 E54L52-H56 PolarHBondContact O-N 3.47Å; K53-H56 PolarHBondContact O-N 2.93Å; E54-H56 VanDerWaalsContact C-N 3.34Å
57I92.7Very high94.5Very high29 Ų2959.2 Ų59.215%0.14930%0.297CS..  trans-87.5133.3176.9-64.7170.8000109.3L52 E55 I71 H74L52-I57 HydrophobicContact CB-CB 3.95Å; L52-I57 HydrophobicContact CB-CD1 4.46Å; L52-I57 HydrophobicContact CB-CG2 4.39Å; L52-I57 HydrophobicContact CD1-CB 4.24Å; L52-I57 HydrophobicContact CD1-CD1 4.09Å; L52-I57 HydrophobicContact CD1-CG2 3.89Å; E55-I57 HydrophobicContact CB-CD1 3.95Å; E55-I57 HydrophobicContact CB-CG1 4.12Å; E55-I57 PolarHBondContact O-N 3.1Å; I57-I71 HydrophobicContact CG2-CD1 3.24Å; I57-H74 HydrophobicContact CD1-CB 3.92Å; I57-H74 VanDerWaalsContact CD1-CD2 3.42Å; I57-H74 WeakPolarHBondContact CD1-CD2 3.35Å; I57-H74 VanDerWaalsContact CD1-CG 3.5Å
58V95Very high94.2Very high104 Ų10460.8 Ų60.863%0.6331%0.306SS*.  trans-131117.1178.1-177.20000109.8
59V95.8Very high93.9Very high3 Ų360.8 Ų60.82%0.01831%0.306CS..  trans-93136.7172.2174.70000109.7V45 I48 N49 L62 D65 I71V45-V59 WeakPolarHBondContact CG1-O 3.45Å; V45-V59 HydrophobicContact CG2-CG1 4.33Å; I48-V59 HydrophobicContact CG2-CB 4.35Å; I48-V59 HydrophobicContact CG2-CG2 3.66Å; N49-V59 PolarHBondContact ND2-O 3.01Å; N49-V59 WeakPolarHBondContact OD1-CB 3.38Å; N49-V59 PolarHBondContact OD1-N 3.39Å; V59-L62 HydrophobicContact CG1-CD2 4.27Å; V59-D65 WeakPolarHBondContact CA-OD2 3.33Å; V59-D65 HydrophobicContact CG1-CB 4.04Å; V59-D65 HydrophobicContact CG2-CB 4.26Å; V59-I71 HydrophobicContact CG2-CD1 3.59Å; V59-I71 HydrophobicContact CG2-CG1 3.88Å; V59-I71 HydrophobicContact CG2-CG2 4.11Å
60Q94.3Very high93.7Very high169 Ų16961.5 Ų61.579%0.7931%0.309SS*.SBendtrans-116.9-37174.4-61.1-175.810.500111.3D65Q60-D65 PolarHBondContact N-OD2 3.37Å
61S95.6Very high93.7Very high33 Ų3358.4 Ų58.423%0.23129%0.287CS..  trans-133.5122.3-177.8173.60000110.2E63 E64 D65S61-E63 VanDerWaalsContact C-N 3.29Å; S61-E63 PolarHBondContact O-N 3.14Å; S61-E64 PolarHBondContact O-N 2.96Å; S61-E64 PolarHBondContact OG-N 2.97Å; S61-D65 PolarHBondContact N-OD2 3.34Å; S61-D65 VanDerWaalsContact O-CB 3.25Å; S61-D65 WeakPolarHBondContact O-CB 3.4Å; S61-D65 VanDerWaalsContact O-CG 3.31Å; S61-D65 PolarHBondContact O-N 2.91Å; S61-D65 VanDerWaalsContact O-OD2 3.09Å
62L95.7Very high93.7Very high3 Ų357.5 Ų57.52%0.01628%0.281CS..Hα-helixtrans-60.2-40.7-178.2-60.2179.3000111.6K41 L44 V45 I48 V59 I66 L131 T134 L135 L138K41-L62 HydrophobicContact CB-CD1 4.3Å; K41-L62 HydrophobicContact CG-CD1 4.2Å; L44-L62 HydrophobicContact CB-CD1 4.06Å; L44-L62 HydrophobicContact CB-CD2 4.36Å; L44-L62 HydrophobicContact CD1-CD1 4.05Å; V45-L62 HydrophobicContact CG2-CD2 3.57Å; V45-L62 HydrophobicContact CG2-CG 3.91Å; I48-L62 HydrophobicContact CD1-CD2 3.83Å; V59-L62 HydrophobicContact CG1-CD2 4.27Å; L62-I66 HydrophobicContact CB-CD1 4.1Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; L62-I66 WeakPolarHBondContact O-CB 3.24Å; L62-I66 WeakPolarHBondContact O-CD1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 3.07Å; L62-L131 HydrophobicContact CB-CD1 4.48Å; L62-T134 HydrophobicContact CB-CG2 4.1Å; L62-L135 HydrophobicContact CD1-CD2 3.79Å; L62-L138 HydrophobicContact CB-CD1 4.43Å; L62-L138 HydrophobicContact CD1-CD1 3.94Å; L62-L138 HydrophobicContact CD2-CD1 3.73Å; L62-L138 HydrophobicContact CG-CD1 4.25Å
63E90.9Very high93.6Very high55 Ų5558.7 Ų58.726%0.25729%0.287SS..Hα-helixtrans-78-31.4-177.964.4-145.2138.100113.3S61 K129 L131S61-E63 VanDerWaalsContact C-N 3.29Å; S61-E63 PolarHBondContact O-N 3.14Å; E63-K129 HydrophobicContact CB-CB 4.26Å; E63-K129 WeakPolarHBondContact O-CG 3.31Å; E63-L131 HydrophobicContact CB-CD1 4.45Å; E63-L131 WeakPolarHBondContact OE2-CB 3.28Å
64E94.8Very high93.6Very high94 Ų9452.6 Ų52.644%0.43926%0.26SS..Hα-helixtrans-87.3-25.1-178-62.6-65.4146.300113.5S61 F67 K129S61-E64 PolarHBondContact O-N 2.96Å; S61-E64 PolarHBondContact OG-N 2.97Å; E64-F67 WeakPolarHBondContact O-CD1 3.39Å; E64-F67 WeakPolarHBondContact O-CE1 3.34Å; E64-K129 IonicContact OE1-NZ 2.92Å; E64-K129 IonicContact OE2-NZ 2.67Å; E64-K129 PolarHBondContact OE2-NZ 3.27Å
65D95.9Very high93.8Very high53 Ų5346 Ų4628%0.28323%0.23SC..Hα-helixtrans-102.6-18.1-175.4-59.1-40.8000113.1V59 Q60 S61 I71V59-D65 WeakPolarHBondContact CA-OD2 3.33Å; V59-D65 HydrophobicContact CG1-CB 4.04Å; V59-D65 HydrophobicContact CG2-CB 4.26Å; Q60-D65 PolarHBondContact N-OD2 3.37Å; S61-D65 PolarHBondContact N-OD2 3.34Å; S61-D65 VanDerWaalsContact O-CB 3.25Å; S61-D65 WeakPolarHBondContact O-CB 3.4Å; S61-D65 VanDerWaalsContact O-CG 3.31Å; S61-D65 PolarHBondContact O-N 2.91Å; S61-D65 VanDerWaalsContact O-OD2 3.09Å; D65-I71 HydrophobicContact CB-CG1 4.49Å; D65-I71 WeakPolarHBondContact O-CG1 3.4Å
66I95.6Very high93.9Very high0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-96.3-24-174.6-63176.7000112.8I48 L62 D68 G69 I71 L72 I126 T134 L138I48-I66 HydrophobicContact CD1-CD1 4.11Å; L62-I66 HydrophobicContact CB-CD1 4.1Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; L62-I66 WeakPolarHBondContact O-CB 3.24Å; L62-I66 WeakPolarHBondContact O-CD1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 3.07Å; I66-D68 PolarHBondContact O-N 3.2Å; I66-G69 PolarHBondContact O-N 2.88Å; I66-I71 HydrophobicContact CG1-CB 4.36Å; I66-I71 HydrophobicContact CG1-CG2 4.36Å; I66-L72 HydrophobicContact CG2-CD1 3.91Å; I66-L72 HydrophobicContact CG2-CD2 3.99Å; I66-L72 HydrophobicContact CG2-CG 3.79Å; I66-I126 HydrophobicContact CG2-CG2 4.42Å; I66-T134 HydrophobicContact CB-CG2 4.25Å; I66-T134 HydrophobicContact CD1-CG2 3.69Å; I66-T134 HydrophobicContact CG2-CG2 4.19Å; I66-L138 HydrophobicContact CD1-CD1 3.56Å; I66-L138 HydrophobicContact CD1-CD2 3.99Å; I66-L138 HydrophobicContact CD1-CG 4.13Å
67F94.9Very high93.8Very high43 Ų4336 Ų3619%0.18919%0.19CC..THydrogen-bonded Turntrans-61.9-21.1-166.782.4-78000115.4E64 L100 I126 K129E64-F67 WeakPolarHBondContact O-CD1 3.39Å; E64-F67 WeakPolarHBondContact O-CE1 3.34Å; F67-L100 VanDerWaalsContact O-CD1 3.27Å; F67-L100 WeakPolarHBondContact O-CD1 3.37Å; F67-I126 WeakPolarHBondContact CA-O 3.43Å; F67-I126 VanDerWaalsContact CB-O 3.3Å; F67-I126 WeakPolarHBondContact CB-O 3.43Å; F67-K129 HydrophobicContact CB-CG 3.75Å; F67-K129 HydrophobicContact CD2-CG 4.44Å; F67-K129 HydrophobicContact CG-CD 4.42Å; F67-K129 HydrophobicContact CG-CG 3.98Å
68D91Very high93.7Very high36 Ų3640 Ų4019%0.19320%0.203CC..THydrogen-bonded Turntrans-93.5-3.5-179.771.9-0.6000113.2I66 L70 Q96I66-D68 PolarHBondContact O-N 3.2Å; D68-L70 VanDerWaalsContact C-N 3.3Å; D68-L70 PolarHBondContact O-N 3.03Å; D68-L70 VanDerWaalsContact OD1-CB 3.28Å; D68-L70 WeakPolarHBondContact OD1-CB 3.29Å; D68-L70 PolarHBondContact OD1-N 3.16Å; D68-Q96 HydrophobicContact CB-CG 4.11Å
69G92.3Very high93.4Very high0 Ų037.3 Ų37.30%019%0.185CC..SBendtrans77.22.6-179.300000115.2I66 H73 I103I66-G69 PolarHBondContact O-N 2.88Å; G69-H73 WeakPolarHBondContact O-CB 3.24Å; G69-H73 PolarHBondContact O-N 3.32Å; G69-I103 WeakPolarHBondContact O-CD1 3.01Å
70L92.6Very high93Very high50 Ų5038.7 Ų38.726%0.26220%0.197SC..Hα-helixtrans-61.9-54178.6-178.863.3000111.3D68 L72 H73 H74 E88D68-L70 VanDerWaalsContact C-N 3.3Å; D68-L70 PolarHBondContact O-N 3.03Å; D68-L70 VanDerWaalsContact OD1-CB 3.28Å; D68-L70 WeakPolarHBondContact OD1-CB 3.29Å; D68-L70 PolarHBondContact OD1-N 3.16Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 3.37Å; L70-H73 WeakPolarHBondContact O-CB 3.22Å; L70-H73 PolarHBondContact O-N 3.09Å; L70-H73 VanDerWaalsContact O-N 3.16Å; L70-H74 VanDerWaalsContact CD1-NE2 3.34Å; L70-H74 WeakPolarHBondContact CD1-NE2 3.2Å; L70-H74 PolarHBondContact O-CD2 3.47Å; L70-H74 PolarHBondContact O-N 3.41Å; L70-E88 HydrophobicContact CD1-CG 4.27Å; L70-E88 WeakPolarHBondContact CD1-O 3.37Å
71I95.1Very high92.6Very high9 Ų933.6 Ų33.65%0.04619%0.19CC..Hα-helixtrans-58.7-43.7-179.8-59-59000111.5I48 L52 I57 V59 D65 I66 H73 H74 L75I48-I71 HydrophobicContact CG2-CG2 3.63Å; L52-I71 HydrophobicContact CD1-CG2 4.17Å; I57-I71 HydrophobicContact CG2-CD1 3.24Å; V59-I71 HydrophobicContact CG2-CD1 3.59Å; V59-I71 HydrophobicContact CG2-CG1 3.88Å; V59-I71 HydrophobicContact CG2-CG2 4.11Å; D65-I71 HydrophobicContact CB-CG1 4.49Å; D65-I71 WeakPolarHBondContact O-CG1 3.4Å; I66-I71 HydrophobicContact CG1-CB 4.36Å; I66-I71 HydrophobicContact CG1-CG2 4.36Å; I71-H73 VanDerWaalsContact C-N 3.33Å; I71-H73 PolarHBondContact O-N 3.45Å; I71-H74 PolarHBondContact O-N 3.17Å; I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.45Å
72L95Very high92Very high0 Ų033.6 Ų33.60%019%0.188CC..Hα-helixtrans-64.3-37179.3-63.5177000112.4I66 L70 L75 L76 L100 I103 L104 L107 L137 L138 M141I66-L72 HydrophobicContact CG2-CD1 3.91Å; I66-L72 HydrophobicContact CG2-CD2 3.99Å; I66-L72 HydrophobicContact CG2-CG 3.79Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 3.37Å; L72-L75 PolarHBondContact O-N 3.39Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.06Å; L72-L100 HydrophobicContact CD1-CD2 4.14Å; L72-I103 HydrophobicContact CB-CG2 3.62Å; L72-I103 HydrophobicContact CD1-CG2 4.34Å; L72-L104 HydrophobicContact CD1-CD2 4.29Å; L72-L107 HydrophobicContact CB-CD1 4.32Å; L72-L107 HydrophobicContact CD1-CD1 4.49Å; L72-L107 HydrophobicContact CD2-CD1 4.38Å; L72-L137 HydrophobicContact CD1-CD2 3.76Å; L72-L137 HydrophobicContact CD2-CD2 4.01Å; L72-L138 HydrophobicContact CD2-CD2 4.49Å; L72-M141 HydrophobicContact CD2-CE 4.39Å; L72-M141 HydrophobicContact CD2-SD 3.83Å
73H93.2Very high91.3Very high24 Ų2441.1 Ų41.111%0.11123%0.228CC..Hα-helixtrans-60.3-50174.8-176.8-168.1000111.1G69 L70 I71 L75 L76 G77 I103G69-H73 WeakPolarHBondContact O-CB 3.24Å; G69-H73 PolarHBondContact O-N 3.32Å; L70-H73 WeakPolarHBondContact O-CB 3.22Å; L70-H73 PolarHBondContact O-N 3.09Å; L70-H73 VanDerWaalsContact O-N 3.16Å; I71-H73 VanDerWaalsContact C-N 3.33Å; I71-H73 PolarHBondContact O-N 3.45Å; H73-L75 PolarHBondContact O-N 3.35Å; H73-L76 WeakPolarHBondContact O-CB 3.29Å; H73-L76 PolarHBondContact O-N 2.96Å; H73-G77 PolarHBondContact O-N 3.38Å; H73-I103 HydrophobicContact CB-CD1 3.79Å; H73-I103 HydrophobicContact CB-CG1 4.41Å
74H93.6Very high90.8Very high26 Ų2639.9 Ų39.912%0.1222%0.223CC..Hα-helixtrans-65.5-40.4179.7-70.1-76.5000112.1L52 E55 I57 L70 I71 L76 G77 R78 E88L52-H74 HydrophobicContact CD1-CB 3.98Å; L52-H74 HydrophobicContact CD2-CB 3.8Å; E55-H74 IonicContact OE2-CE1 3.95Å; E55-H74 IonicContact OE2-CG 2.76Å; E55-H74 IonicContact OE2-ND1 2.59Å; E55-H74 PolarHBondContact OE2-ND1 3.2Å; I57-H74 HydrophobicContact CD1-CB 3.92Å; I57-H74 VanDerWaalsContact CD1-CD2 3.42Å; I57-H74 WeakPolarHBondContact CD1-CD2 3.35Å; I57-H74 VanDerWaalsContact CD1-CG 3.5Å; L70-H74 VanDerWaalsContact CD1-NE2 3.34Å; L70-H74 WeakPolarHBondContact CD1-NE2 3.2Å; L70-H74 PolarHBondContact O-CD2 3.47Å; L70-H74 PolarHBondContact O-N 3.41Å; I71-H74 PolarHBondContact O-N 3.17Å; H74-L76 PolarHBondContact O-N 3.17Å; H74-G77 PolarHBondContact O-N 3.26Å; H74-R78 WeakPolarHBondContact O-CG 3.5Å; H74-R78 PolarHBondContact O-N 3.31Å; H74-E88 IonicContact CE1-OE1 2.75Å; H74-E88 PolarHBondContact CE1-OE1 3.1Å; H74-E88 IonicContact NE2-OE1 3.21Å
75L94.3Very high89.9Confident0 Ų041.9 Ų41.90%025%0.247CC..Hα-helixtrans-60.2-44.2174.4-72.4172.2000112.1I48 T51 L52 I71 L72 H73 G77 R78 L79 M141I48-L75 HydrophobicContact CG1-CD1 4.14Å; I48-L75 HydrophobicContact CG2-CD1 4.42Å; I48-L75 HydrophobicContact CG2-CD2 4.39Å; T51-L75 HydrophobicContact CG2-CD2 3.83Å; L52-L75 HydrophobicContact CD1-CD2 4.17Å; L52-L75 HydrophobicContact CD1-CG 4.16Å; L52-L75 HydrophobicContact CD2-CD2 3.97Å; L52-L75 HydrophobicContact CD2-CG 4.38Å; L52-L75 HydrophobicContact CG-CD2 3.93Å; L52-L75 HydrophobicContact CG-CG 4.42Å; I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.45Å; L72-L75 PolarHBondContact O-N 3.39Å; H73-L75 PolarHBondContact O-N 3.35Å; L75-G77 VanDerWaalsContact C-N 3.34Å; L75-G77 PolarHBondContact O-N 3.47Å; L75-R78 PolarHBondContact O-N 3.1Å; L75-L79 HydrophobicContact CB-CD1 4.28Å; L75-L79 HydrophobicContact CD2-CD1 4.24Å; L75-L79 VanDerWaalsContact O-CB 3.22Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.21Å; L75-L79 PolarHBondContact O-N 3.43Å; L75-M141 HydrophobicContact CB-CE 3.82Å; L75-M141 HydrophobicContact CD1-CE 3.98Å
76L91.4Very high89.1Confident0 Ų041.1 Ų41.10%024%0.244CC..Hα-helixtrans-59-44.7174.5-91.7179.7000112.2L72 H73 H74 R78 A80 G81 V82 L84 I103 A106 L107L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.06Å; H73-L76 WeakPolarHBondContact O-CB 3.29Å; H73-L76 PolarHBondContact O-N 2.96Å; H74-L76 PolarHBondContact O-N 3.17Å; L76-R78 PolarHBondContact O-N 3.45Å; L76-A80 HydrophobicContact CD2-CB 4.3Å; L76-A80 WeakPolarHBondContact O-CA 3.27Å; L76-A80 WeakPolarHBondContact O-CB 3.43Å; L76-A80 PolarHBondContact O-N 2.9Å; L76-G81 PolarHBondContact O-N 3.41Å; L76-V82 PolarHBondContact O-N 3.2Å; L76-L84 HydrophobicContact CD1-CD1 3.71Å; L76-I103 HydrophobicContact CD1-CG2 4.02Å; L76-A106 HydrophobicContact CD1-CB 4.1Å; L76-L107 HydrophobicContact CD1-CD1 4.44Å; L76-L107 HydrophobicContact CD1-CD2 4.42Å; L76-L107 HydrophobicContact CD1-CG 3.87Å; L76-L107 HydrophobicContact CD2-CD2 3.37Å; L76-L107 HydrophobicContact CD2-CG 3.69Å; L76-L107 HydrophobicContact CG-CD1 4.37Å; L76-L107 HydrophobicContact CG-CD2 3.71Å; L76-L107 HydrophobicContact CG-CG 3.72Å
77G89.9Confident88Confident25 Ų2548 Ų4826%0.25828%0.276SS..Hα-helixtrans-59.3-46.8177.200000112H73 H74 L75 G81 V82H73-G77 PolarHBondContact O-N 3.38Å; H74-G77 PolarHBondContact O-N 3.26Å; L75-G77 VanDerWaalsContact C-N 3.34Å; L75-G77 PolarHBondContact O-N 3.47Å; G77-G81 VanDerWaalsContact O-CA 3.26Å; G77-G81 WeakPolarHBondContact O-CA 3.24Å; G77-G81 PolarHBondContact O-N 3.45Å; G77-V82 VanDerWaalsContact CA-O 3.31Å; G77-V82 WeakPolarHBondContact CA-O 3.47Å
78R90.7Very high86.6Confident114 Ų11451.6 Ų51.643%0.4329%0.294SS..Hα-helixtrans-74.1-41.6-177.4-69.8-69.1-72.9-170.8-3.3114.2T51 L52 E54 E55 H74 L75 L76T51-R78 HydrophobicContact CG2-CB 4.28Å; L52-R78 HydrophobicContact CD2-CB 4.48Å; L52-R78 HydrophobicContact CD2-CG 3.92Å; E54-R78 VanDerWaalsContact CD-NH2 3.27Å; E54-R78 IonicContact OE1-NH2 3.32Å; E54-R78 IonicContact OE2-CZ 2.79Å; E54-R78 IonicContact OE2-NH1 3.81Å; E54-R78 PolarHBondContact OE2-NH1 3.48Å; E54-R78 IonicContact OE2-NH2 3.94Å; E54-R78 PolarHBondContact OE2-NH2 3.13Å; E55-R78 WeakPolarHBondContact OE1-CD 3.36Å; E55-R78 WeakPolarHBondContact OE1-CG 3.5Å; E55-R78 IonicContact OE1-NE 3.17Å; H74-R78 WeakPolarHBondContact O-CG 3.5Å; H74-R78 PolarHBondContact O-N 3.31Å; L75-R78 PolarHBondContact O-N 3.1Å; L76-R78 PolarHBondContact O-N 3.45Å
79L89.2Confident85.8Confident47 Ų4756.1 Ų56.125%0.24632%0.316CS..Hα-helixtrans-90.5-36.3-171.7-63.1171.9000112.7W47 T51 L75 F145W47-L79 HydrophobicContact CH2-CD1 4.08Å; W47-L79 HydrophobicContact CZ2-CD1 3.58Å; T51-L79 HydrophobicContact CG2-CD2 3.86Å; T51-L79 HydrophobicContact CG2-CG 4.14Å; L75-L79 HydrophobicContact CB-CD1 4.28Å; L75-L79 HydrophobicContact CD2-CD1 4.24Å; L75-L79 VanDerWaalsContact O-CB 3.22Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.21Å; L75-L79 PolarHBondContact O-N 3.43Å; L79-F145 HydrophobicContact CB-CB 3.94Å; L79-F145 HydrophobicContact CB-CD1 4.02Å; L79-F145 HydrophobicContact CB-CD2 4.28Å; L79-F145 HydrophobicContact CB-CG 3.82Å; L79-F145 HydrophobicContact CD1-CB 3.9Å; L79-F145 HydrophobicContact CD1-CD2 4.05Å; L79-F145 HydrophobicContact CD1-CG 4.13Å; L79-F145 HydrophobicContact CD2-CB 4.21Å; L79-F145 HydrophobicContact CG-CB 4.24Å
80A86.9Confident85.1Confident31 Ų3156.5 Ų56.526%0.25632%0.32SS..Hα-helixtrans-110-5.3-175.200000113.5L76 V82 K110 F145L76-A80 HydrophobicContact CD2-CB 4.3Å; L76-A80 WeakPolarHBondContact O-CA 3.27Å; L76-A80 WeakPolarHBondContact O-CB 3.43Å; L76-A80 PolarHBondContact O-N 2.9Å; A80-V82 HydrophobicContact CB-CG2 3.86Å; A80-V82 PolarHBondContact O-N 3.08Å; A80-K110 HydrophobicContact CB-CG 4.4Å; A80-F145 HydrophobicContact CB-CE1 3.86Å; A80-F145 HydrophobicContact CB-CZ 4.17Å
81G85.4Confident84.4Confident63 Ų6360 Ų6065%0.64934%0.343SS*.  trans64.820.6-175.300000113.3L76 G77L76-G81 PolarHBondContact O-N 3.41Å; G77-G81 VanDerWaalsContact O-CA 3.26Å; G77-G81 WeakPolarHBondContact O-CA 3.24Å; G77-G81 PolarHBondContact O-N 3.45Å
82V83.4Confident84.1Confident33 Ų3363.6 Ų63.620%0.237%0.366CS..  trans-93.5117-176.81780000109.5L76 G77 A80 L84L76-V82 PolarHBondContact O-N 3.2Å; G77-V82 VanDerWaalsContact CA-O 3.31Å; G77-V82 WeakPolarHBondContact CA-O 3.47Å; A80-V82 HydrophobicContact CB-CG2 3.86Å; A80-V82 PolarHBondContact O-N 3.08Å; V82-L84 HydrophobicContact CG1-CD2 3.68Å; V82-L84 HydrophobicContact CG1-CG 4.08Å
83L80.4Confident83.8Confident160 Ų16067.1 Ų67.184%0.83839%0.39SS*.  trans-97.4111172.3-69.8166.6000109
84L81.9Confident83.5Confident30 Ų3068.5 Ų68.516%0.15741%0.406CS..  trans-87.8134.9178-62175.7000109.8L76 V82 V86 V102 I103 A106L76-L84 HydrophobicContact CD1-CD1 3.71Å; V82-L84 HydrophobicContact CG1-CD2 3.68Å; V82-L84 HydrophobicContact CG1-CG 4.08Å; L84-V86 HydrophobicContact CB-CG2 4.05Å; L84-V86 PolarHBondContact O-N 3.33Å; L84-V102 HydrophobicContact CD1-CG1 4.37Å; L84-V102 HydrophobicContact CD2-CG1 4.16Å; L84-I103 HydrophobicContact CD1-CB 4.26Å; L84-I103 HydrophobicContact CD1-CG1 3.57Å; L84-A106 HydrophobicContact CD1-CB 4.45Å; L84-A106 HydrophobicContact CD2-CB 4.01Å
85S74.9Confident83.3Confident136 Ų13668.3 Ų68.395%0.95141%0.408SS*.  trans-80.959.6175.2-64.30000110.8
86V78.2Confident83.1Confident37 Ų3769.5 Ų69.522%0.22441%0.414CS..SBendtrans-121.3145.8-179.4-172.80000109.4L84 E88 K99 V102L84-V86 HydrophobicContact CB-CG2 4.05Å; L84-V86 PolarHBondContact O-N 3.33Å; V86-E88 PolarHBondContact O-N 3.43Å; V86-K99 HydrophobicContact CG1-CB 3.71Å; V86-K99 HydrophobicContact CG1-CD 4.15Å; V86-K99 HydrophobicContact CG1-CG 3.66Å; V86-V102 HydrophobicContact CG2-CB 3.96Å; V86-V102 HydrophobicContact CG2-CG1 3.71Å; V86-V102 HydrophobicContact CG2-CG2 4.31Å
87E73.9Confident83.1Confident144 Ų14471.4 Ų71.467%0.67343%0.426SS*.  trans-55.3127.9174.7-71.3-179.8176.800110.7I89E87-I89 VanDerWaalsContact C-N 3.33Å; E87-I89 PolarHBondContact O-N 3.38Å
88E65.2Low83.1Confident119 Ų11978.4 Ų78.456%0.55644%0.444SS*.SBendtrans-63.4-42.8-176.8-163.6172.2-167.900110.5L70 H74 V86 K99L70-E88 HydrophobicContact CD1-CG 4.27Å; L70-E88 WeakPolarHBondContact CD1-O 3.37Å; H74-E88 IonicContact CE1-OE1 2.75Å; H74-E88 PolarHBondContact CE1-OE1 3.1Å; H74-E88 IonicContact NE2-OE1 3.21Å; V86-E88 PolarHBondContact O-N 3.43Å; E88-K99 PolarHBondContact O-NZ 2.91Å
89I73.3Confident83.1Confident130 Ų13073.1 Ų73.167%0.66743%0.425SS*.  trans-110.1110.2178.3-55.7176.3000109.7E87 V91E87-I89 VanDerWaalsContact C-N 3.33Å; E87-I89 PolarHBondContact O-N 3.38Å; I89-V91 HydrophobicContact CG2-CG2 3.92Å
90A78.2Confident83.4Confident8 Ų870.9 Ų70.97%0.06641%0.413CS..  trans-104.6103.3174.700000110.1A95 Q96 K99A90-A95 HydrophobicContact CB-CB 3.9Å; A90-Q96 HydrophobicContact CB-CG 3.92Å; A90-Q96 VanDerWaalsContact O-CG 3.22Å; A90-Q96 WeakPolarHBondContact O-CG 3.49Å; A90-Q96 PolarHBondContact O-NE2 3.33Å; A90-Q96 VanDerWaalsContact O-NE2 3.1Å; A90-K99 HydrophobicContact CB-CD 4.04Å
91V79.3Confident83.6Confident124 Ų12474.2 Ų74.275%0.75242%0.423SS*.  trans-84.5-29.7-173.8-175.30000112.8I89I89-V91 HydrophobicContact CG2-CG2 3.92Å
92T88.1Confident84Confident85 Ų8574.1 Ų74.152%0.52141%0.41SS..SBendtrans-94.3147.4-177.469.50000111.3A94 A95 Q96T92-A94 VanDerWaalsContact C-N 3.27Å; T92-A94 PolarHBondContact O-N 3.11Å; T92-A95 PolarHBondContact O-N 2.78Å; T92-A95 VanDerWaalsContact OG1-CB 3.25Å; T92-A95 WeakPolarHBondContact OG1-CB 3.47Å; T92-A95 PolarHBondContact OG1-N 2.86Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.7Å
93S88.2Confident84.4Confident73 Ų7372.6 Ų72.651%0.5140%0.4SS..Hα-helixtrans-50.9-46175.1173.70000112.1A95 Q96 T97 H127S93-A95 PolarHBondContact O-N 2.9Å; S93-Q96 WeakPolarHBondContact O-CB 3.36Å; S93-Q96 PolarHBondContact O-N 3.15Å; S93-T97 PolarHBondContact O-N 3.49Å; S93-T97 PolarHBondContact O-OG1 3.4Å; S93-H127 PolarHBondContact OG-CE1 3.44Å; S93-H127 VanDerWaalsContact OG-CE1 3.22Å
94A88.1Confident85Confident54 Ų5465.2 Ų65.245%0.44636%0.362SS..Hα-helixtrans-63.3-36.5177.800000113.5T92 R98T92-A94 VanDerWaalsContact C-N 3.27Å; T92-A94 PolarHBondContact O-N 3.11Å; A94-R98 WeakPolarHBondContact O-CG 3.24Å; A94-R98 PolarHBondContact O-N 3.1Å
95A87.9Confident85.4Confident21 Ų2170.5 Ų70.517%0.17439%0.386CS..Hα-helixtrans-70.4-40.3175.300000111.5A90 T92 S93 R98 K99A90-A95 HydrophobicContact CB-CB 3.9Å; T92-A95 PolarHBondContact O-N 2.78Å; T92-A95 VanDerWaalsContact OG1-CB 3.25Å; T92-A95 WeakPolarHBondContact OG1-CB 3.47Å; T92-A95 PolarHBondContact OG1-N 2.86Å; S93-A95 PolarHBondContact O-N 2.9Å; A95-R98 PolarHBondContact O-N 2.72Å; A95-K99 WeakPolarHBondContact O-CB 3.26Å; A95-K99 PolarHBondContact O-N 3.14Å
96Q90.1Very high86.2Confident25 Ų2564.7 Ų64.712%0.11735%0.346CS..Hα-helixtrans-62.1-44.3175.8-67.7168.3-11.800111.4D68 A90 T92 S93 K99 L100 H127D68-Q96 HydrophobicContact CB-CG 4.11Å; A90-Q96 HydrophobicContact CB-CG 3.92Å; A90-Q96 VanDerWaalsContact O-CG 3.22Å; A90-Q96 WeakPolarHBondContact O-CG 3.49Å; A90-Q96 PolarHBondContact O-NE2 3.33Å; A90-Q96 VanDerWaalsContact O-NE2 3.1Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.7Å; S93-Q96 WeakPolarHBondContact O-CB 3.36Å; S93-Q96 PolarHBondContact O-N 3.15Å; Q96-K99 PolarHBondContact O-N 3.01Å; Q96-L100 WeakPolarHBondContact O-CB 3.4Å; Q96-L100 PolarHBondContact O-N 2.97Å; Q96-H127 PolarHBondContact OE1-NE2 3.03Å
97T91.9Very high86.7Confident41 Ų4163 Ų6325%0.25234%0.336SS..Hα-helixtrans-58.2-50.3175.2-54.80000111.4S93 K99 L100 E101 V123S93-T97 PolarHBondContact O-N 3.49Å; S93-T97 PolarHBondContact O-OG1 3.4Å; T97-K99 VanDerWaalsContact C-N 3.32Å; T97-K99 PolarHBondContact O-N 2.76Å; T97-L100 PolarHBondContact O-N 2.75Å; T97-E101 WeakPolarHBondContact O-CG 3.24Å; T97-E101 PolarHBondContact O-N 3.3Å; T97-V123 HydrophobicContact CG2-CG1 3.64Å
98R90.2Very high87.4Confident172 Ų17256.6 Ų56.665%0.64931%0.306SS*.Hα-helixtrans-61.7-39.4177.6-71.2174.1-174.2161.72.3112.6A94 A95 E101 V102A94-R98 WeakPolarHBondContact O-CG 3.24Å; A94-R98 PolarHBondContact O-N 3.1Å; A95-R98 PolarHBondContact O-N 2.72Å; R98-E101 WeakPolarHBondContact O-CB 3.35Å; R98-E101 PolarHBondContact O-N 2.82Å; R98-V102 PolarHBondContact O-N 3.32Å
99K91.1Very high88.5Confident3 Ų357.5 Ų57.51%0.01331%0.311CS..Hα-helixtrans-62.1-47.1175.8171.8170.9-176.8-169.40111V86 E88 A90 A95 Q96 T97 E101 V102 I103V86-K99 HydrophobicContact CG1-CB 3.71Å; V86-K99 HydrophobicContact CG1-CD 4.15Å; V86-K99 HydrophobicContact CG1-CG 3.66Å; E88-K99 PolarHBondContact O-NZ 2.91Å; A90-K99 HydrophobicContact CB-CD 4.04Å; A95-K99 WeakPolarHBondContact O-CB 3.26Å; A95-K99 PolarHBondContact O-N 3.14Å; Q96-K99 PolarHBondContact O-N 3.01Å; T97-K99 VanDerWaalsContact C-N 3.32Å; T97-K99 PolarHBondContact O-N 2.76Å; K99-E101 VanDerWaalsContact C-N 3.35Å; K99-E101 PolarHBondContact O-N 2.8Å; K99-V102 PolarHBondContact O-N 3.28Å; K99-I103 HydrophobicContact CD-CD1 4.34Å; K99-I103 HydrophobicContact CG-CD1 3.52Å; K99-I103 HydrophobicContact CG-CG1 4.47Å; K99-I103 WeakPolarHBondContact O-CB 3.43Å; K99-I103 WeakPolarHBondContact O-CD1 3.4Å; K99-I103 VanDerWaalsContact O-CG1 3.22Å; K99-I103 WeakPolarHBondContact O-CG1 2.89Å; K99-I103 PolarHBondContact O-N 2.91Å
100L93.9Very high89Confident0 Ų055.9 Ų55.90%030%0.299CS..Hα-helixtrans-63.6-36.1175.8-81174.9000113.1F67 L72 Q96 T97 I103 L104 V123 I126 H127F67-L100 VanDerWaalsContact O-CD1 3.27Å; F67-L100 WeakPolarHBondContact O-CD1 3.37Å; L72-L100 HydrophobicContact CD1-CD2 4.14Å; Q96-L100 WeakPolarHBondContact O-CB 3.4Å; Q96-L100 PolarHBondContact O-N 2.97Å; T97-L100 PolarHBondContact O-N 2.75Å; L100-I103 PolarHBondContact O-N 2.86Å; L100-L104 VanDerWaalsContact O-CB 3.24Å; L100-L104 WeakPolarHBondContact O-CB 3.49Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.36Å; L100-V123 HydrophobicContact CB-CG1 3.86Å; L100-V123 HydrophobicContact CB-CG2 4.37Å; L100-V123 HydrophobicContact CD1-CG1 4.35Å; L100-I126 HydrophobicContact CD1-CB 4.45Å; L100-I126 HydrophobicContact CD1-CG2 4.18Å; L100-I126 HydrophobicContact CD2-CG2 3.91Å; L100-H127 HydrophobicContact CD1-CB 3.77Å
101E92.2Very high89.3Confident101 Ų10157.1 Ų57.147%0.47230%0.304SS..Hα-helixtrans-55.6-53175.1-76.1166.617700110.7T97 R98 K99 I103 E105 V123T97-E101 WeakPolarHBondContact O-CG 3.24Å; T97-E101 PolarHBondContact O-N 3.3Å; R98-E101 WeakPolarHBondContact O-CB 3.35Å; R98-E101 PolarHBondContact O-N 2.82Å; K99-E101 VanDerWaalsContact C-N 3.35Å; K99-E101 PolarHBondContact O-N 2.8Å; E101-I103 PolarHBondContact O-N 2.79Å; E101-E105 VanDerWaalsContact O-CB 3.28Å; E101-E105 WeakPolarHBondContact O-CB 3.3Å; E101-E105 PolarHBondContact O-N 3.27Å; E101-V123 HydrophobicContact CB-CG2 4.38Å; E101-V123 HydrophobicContact CG-CG1 4.28Å; E101-V123 HydrophobicContact CG-CG2 3.78Å
102V92.6Very high89.3Confident61 Ų6153.9 Ų53.937%0.3730%0.295SS..Hα-helixtrans-64.7-42.3-179.91790000111.6L84 V86 R98 K99 A106L84-V102 HydrophobicContact CD1-CG1 4.37Å; L84-V102 HydrophobicContact CD2-CG1 4.16Å; V86-V102 HydrophobicContact CG2-CB 3.96Å; V86-V102 HydrophobicContact CG2-CG1 3.71Å; V86-V102 HydrophobicContact CG2-CG2 4.31Å; R98-V102 PolarHBondContact O-N 3.32Å; K99-V102 PolarHBondContact O-N 3.28Å; V102-A106 PolarHBondContact O-N 3.1Å; V102-A106 VanDerWaalsContact O-N 3.12Å
103I93.3Very high88.6Confident0 Ų052.3 Ų52.30%028%0.284CS..Hα-helixtrans-66.2-47.2-179.6-71.2167.5000111.6G69 L72 H73 L76 L84 K99 L100 E101 A106 L107G69-I103 WeakPolarHBondContact O-CD1 3.01Å; L72-I103 HydrophobicContact CB-CG2 3.62Å; L72-I103 HydrophobicContact CD1-CG2 4.34Å; H73-I103 HydrophobicContact CB-CD1 3.79Å; H73-I103 HydrophobicContact CB-CG1 4.41Å; L76-I103 HydrophobicContact CD1-CG2 4.02Å; L84-I103 HydrophobicContact CD1-CB 4.26Å; L84-I103 HydrophobicContact CD1-CG1 3.57Å; K99-I103 HydrophobicContact CD-CD1 4.34Å; K99-I103 HydrophobicContact CG-CD1 3.52Å; K99-I103 HydrophobicContact CG-CG1 4.47Å; K99-I103 WeakPolarHBondContact O-CB 3.43Å; K99-I103 WeakPolarHBondContact O-CD1 3.4Å; K99-I103 VanDerWaalsContact O-CG1 3.22Å; K99-I103 WeakPolarHBondContact O-CG1 2.89Å; K99-I103 PolarHBondContact O-N 2.91Å; L100-I103 PolarHBondContact O-N 2.86Å; E101-I103 PolarHBondContact O-N 2.79Å; I103-A106 PolarHBondContact O-N 3.01Å; I103-L107 HydrophobicContact CG2-CD1 3.84Å; I103-L107 WeakPolarHBondContact O-CB 3.5Å; I103-L107 PolarHBondContact O-N 3.46Å
104L93Very high86.8Confident6 Ų657.5 Ų57.53%0.03130%0.3CS..Hα-helixtrans-71.3-32.3-178.1-69.3-177.5000111.6L72 L100 L107 N108 V123 I126 L137L72-L104 HydrophobicContact CD1-CD2 4.29Å; L100-L104 VanDerWaalsContact O-CB 3.24Å; L100-L104 WeakPolarHBondContact O-CB 3.49Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.36Å; L104-L107 HydrophobicContact CD2-CD1 4.22Å; L104-L107 PolarHBondContact O-N 3.19Å; L104-N108 WeakPolarHBondContact O-CB 3.34Å; L104-N108 PolarHBondContact O-N 2.8Å; L104-N108 PolarHBondContact O-ND2 3.49Å; L104-N108 PolarHBondContact O-OD1 3.45Å; L104-V123 HydrophobicContact CD1-CB 4.42Å; L104-V123 HydrophobicContact CD1-CG2 3.83Å; L104-I126 HydrophobicContact CD1-CG1 4.29Å; L104-L137 HydrophobicContact CD2-CD1 4.36Å; L104-L137 HydrophobicContact CD2-CD2 3.75Å
105E90.3Very high85.2Confident140 Ų14060 Ų6065%0.65431%0.306SS*.Hα-helixtrans-60.1-51.1170.6-175.7172.7-16200110.9E101 L107 N108 E109E101-E105 VanDerWaalsContact O-CB 3.28Å; E101-E105 WeakPolarHBondContact O-CB 3.3Å; E101-E105 PolarHBondContact O-N 3.27Å; E105-L107 PolarHBondContact O-N 2.82Å; E105-N108 PolarHBondContact O-N 3.26Å; E105-E109 PolarHBondContact O-N 2.94Å
106A90.4Very high83.6Confident15 Ų1562.8 Ų62.812%0.12432%0.324CS..Hα-helixtrans-62.6-40.7177.300000112.7L76 L84 V102 I103 K110L76-A106 HydrophobicContact CD1-CB 4.1Å; L84-A106 HydrophobicContact CD1-CB 4.45Å; L84-A106 HydrophobicContact CD2-CB 4.01Å; V102-A106 PolarHBondContact O-N 3.1Å; V102-A106 VanDerWaalsContact O-N 3.12Å; I103-A106 PolarHBondContact O-N 3.01Å; A106-K110 WeakPolarHBondContact O-CG 3.22Å; A106-K110 PolarHBondContact O-N 2.95Å
107L89.7Confident81.7Confident0 Ų066.6 Ų66.60%035%0.354CS..Hα-helixtrans-64.1-47.5175.6-84.5166.4000111.6L72 L76 I103 L104 E105 E109 K110 L111 L137 M141 F145L72-L107 HydrophobicContact CB-CD1 4.32Å; L72-L107 HydrophobicContact CD1-CD1 4.49Å; L72-L107 HydrophobicContact CD2-CD1 4.38Å; L76-L107 HydrophobicContact CD1-CD1 4.44Å; L76-L107 HydrophobicContact CD1-CD2 4.42Å; L76-L107 HydrophobicContact CD1-CG 3.87Å; L76-L107 HydrophobicContact CD2-CD2 3.37Å; L76-L107 HydrophobicContact CD2-CG 3.69Å; L76-L107 HydrophobicContact CG-CD1 4.37Å; L76-L107 HydrophobicContact CG-CD2 3.71Å; L76-L107 HydrophobicContact CG-CG 3.72Å; I103-L107 HydrophobicContact CG2-CD1 3.84Å; I103-L107 WeakPolarHBondContact O-CB 3.5Å; I103-L107 PolarHBondContact O-N 3.46Å; L104-L107 HydrophobicContact CD2-CD1 4.22Å; L104-L107 PolarHBondContact O-N 3.19Å; E105-L107 PolarHBondContact O-N 2.82Å; L107-E109 VanDerWaalsContact C-N 3.27Å; L107-E109 PolarHBondContact O-N 3.27Å; L107-K110 PolarHBondContact O-N 3.47Å; L107-K110 VanDerWaalsContact O-N 3.09Å; L107-L111 WeakPolarHBondContact O-CB 3.28Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 2.97Å; L107-L137 HydrophobicContact CD1-CD1 4.38Å; L107-M141 HydrophobicContact CD1-CE 4.46Å; L107-M141 HydrophobicContact CD1-SD 4.06Å; L107-M141 HydrophobicContact CD2-CE 3.69Å; L107-M141 HydrophobicContact CD2-CG 4.01Å; L107-M141 HydrophobicContact CD2-SD 3.85Å; L107-F145 HydrophobicContact CD2-CE2 4.2Å
108N89.3Confident80Confident11 Ų1171.1 Ų71.16%0.05938%0.375CS..Hα-helixtrans-60.5-39.1-179.4-74.3-12.3000111.3L104 E105 L111 G112 L113 W121L104-N108 WeakPolarHBondContact O-CB 3.34Å; L104-N108 PolarHBondContact O-N 2.8Å; L104-N108 PolarHBondContact O-ND2 3.49Å; L104-N108 PolarHBondContact O-OD1 3.45Å; E105-N108 PolarHBondContact O-N 3.26Å; N108-L111 PolarHBondContact O-N 3.49Å; N108-G112 PolarHBondContact O-N 3.32Å; N108-L113 HydrophobicContact CB-CB 4.21Å; N108-L113 PolarHBondContact O-N 2.87Å; N108-W121 PolarHBondContact OD1-NE1 2.83Å
109E87Confident78.9Confident138 Ų13863.9 Ų63.965%0.64535%0.351SS*.Hα-helixtrans-59-47.5173-168.5-167.5154.500111.6E105 L107 L111 G112E105-E109 PolarHBondContact O-N 2.94Å; L107-E109 VanDerWaalsContact C-N 3.27Å; L107-E109 PolarHBondContact O-N 3.27Å; E109-L111 PolarHBondContact O-N 3.36Å; E109-G112 PolarHBondContact O-N 3.01Å; E109-G112 VanDerWaalsContact O-N 3.14Å
110K83.7Confident78.7Confident96 Ų9670.3 Ų70.342%0.41738%0.375SS..Hα-helixtrans-68-32.9178.9-65.2-56.6179.5-1650113.6A80 A106 L107 G112 F145A80-K110 HydrophobicContact CB-CG 4.4Å; A106-K110 WeakPolarHBondContact O-CG 3.22Å; A106-K110 PolarHBondContact O-N 2.95Å; L107-K110 PolarHBondContact O-N 3.47Å; L107-K110 VanDerWaalsContact O-N 3.09Å; K110-G112 PolarHBondContact O-N 3.22Å; K110-F145 HydrophobicContact CB-CE1 4.35Å; K110-F145 HydrophobicContact CB-CZ 3.81Å; K110-F145 HydrophobicContact CG-CZ 4.42Å
111L84.5Confident78.6Confident33 Ų3371.1 Ų71.117%0.17338%0.379CS..THydrogen-bonded Turntrans-76.6-2.8175.2-64.1175.7000112.7L107 N108 E109 L113 W121 L137 A140 C144L107-L111 WeakPolarHBondContact O-CB 3.28Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 2.97Å; N108-L111 PolarHBondContact O-N 3.49Å; E109-L111 PolarHBondContact O-N 3.36Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 HydrophobicContact CB-CD1 4.1Å; L111-L113 HydrophobicContact CB-CG 4.11Å; L111-L113 HydrophobicContact CD1-CD1 4.38Å; L111-L113 PolarHBondContact O-N 2.77Å; L111-W121 HydrophobicContact CD1-CH2 4.13Å; L111-W121 HydrophobicContact CD1-CZ2 3.68Å; L111-L137 HydrophobicContact CD1-CD1 4.36Å; L111-A140 HydrophobicContact CD1-CB 4.1Å; L111-A140 HydrophobicContact CD2-CB 4.35Å; L111-A140 WeakPolarHBondContact CD2-O 3.32Å; L111-C144 HydrophobicContact CD2-CB 3.44Å; L111-C144 VanDerWaalsContact CD2-CB 3.44Å
112G79.1Confident78.6Confident56 Ų5668.7 Ų68.758%0.57737%0.372SS*.THydrogen-bonded Turntrans73.618.3-178.800000113.9N108 E109 K110 Q114N108-G112 PolarHBondContact O-N 3.32Å; E109-G112 PolarHBondContact O-N 3.01Å; E109-G112 VanDerWaalsContact O-N 3.14Å; K110-G112 PolarHBondContact O-N 3.22Å; G112-Q114 PolarHBondContact O-N 3.12Å
113L73.1Confident78.6Confident53 Ų5367.1 Ų67.128%0.27736%0.363SS..  trans-90.684.4179.8-61.6173.6000109.6N108 L111 D115 W121N108-L113 HydrophobicContact CB-CB 4.21Å; N108-L113 PolarHBondContact O-N 2.87Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 HydrophobicContact CB-CD1 4.1Å; L111-L113 HydrophobicContact CB-CG 4.11Å; L111-L113 HydrophobicContact CD1-CD1 4.38Å; L111-L113 PolarHBondContact O-N 2.77Å; L113-D115 VanDerWaalsContact C-N 3.26Å; L113-D115 PolarHBondContact O-N 2.85Å; L113-W121 HydrophobicContact CD1-CH2 3.57Å; L113-W121 HydrophobicContact CD1-CZ2 3.27Å
114Q50.8Low78.5Confident182 Ų18273.7 Ų73.785%0.8539%0.392SS*.  trans-70.1-22.7176.2-67-91.3-11.500112.5G112G112-Q114 PolarHBondContact O-N 3.12Å
115D55.7Low78.5Confident105 Ų10576.2 Ų76.256%0.56141%0.405SS*.  trans-113.1101.7177-84.6-41.9000111.2L113 S117 L118L113-D115 VanDerWaalsContact C-N 3.26Å; L113-D115 PolarHBondContact O-N 2.85Å; D115-S117 PolarHBondContact O-N 3.25Å; D115-L118 HydrophobicContact CB-CD1 4.28Å; D115-L118 HydrophobicContact CB-CG 4.44Å; D115-L118 PolarHBondContact O-N 3.36Å; D115-L118 VanDerWaalsContact O-N 3.14Å
116S53.2Low78.7Confident80 Ų8069.6 Ų69.656%0.55937%0.374SS*.THydrogen-bonded Turntrans-63.2-6.9176.2-64.90000114.1L118 S119S116-L118 VanDerWaalsContact C-N 3.33Å; S116-S119 PolarHBondContact O-OG 2.92Å
117S51.2Low78.9Confident106 Ų10670.8 Ų70.874%0.74138%0.377SS*.THydrogen-bonded Turntrans-80.1-14.2175.863.50000113.7D115D115-S117 PolarHBondContact O-N 3.25Å
118L55.8Low79.1Confident135 Ų13574.3 Ų74.371%0.70740%0.401SS*.SBendtrans-99.1-10.4177.9-63.8174.9000112.8D115 S116D115-L118 HydrophobicContact CB-CD1 4.28Å; D115-L118 HydrophobicContact CB-CG 4.44Å; D115-L118 PolarHBondContact O-N 3.36Å; D115-L118 VanDerWaalsContact O-N 3.14Å; S116-L118 VanDerWaalsContact C-N 3.33Å
119S67.9Low79.4Confident21 Ų2177.1 Ų77.115%0.14741%0.413CS..  trans-73.2135.417854.80000110.5S116 W121S116-S119 PolarHBondContact O-OG 2.92Å; S119-W121 PolarHBondContact O-N 2.98Å; S119-W121 PolarHBondContact OG-O 2.95Å; S119-W121 VanDerWaalsContact OG-O 3.06Å
120R86.2Confident79.7Confident137 Ų13772.2 Ų72.252%0.51739%0.391SS..SBendtrans-776.8176.1-64-176.7172.6125.4-1.5113.3H136 E176R120-H136 HydrophobicContact CB-CB 3.96Å; R120-H136 WeakPolarHBondContact CD-CE1 3.31Å; R120-H136 WeakPolarHBondContact CD-ND1 3.26Å; R120-H136 WeakPolarHBondContact CD-NE2 3.13Å; R120-E176 VanDerWaalsContact CD-OE1 3.26Å; R120-E176 WeakPolarHBondContact CD-OE1 3.13Å; R120-E176 IonicContact CZ-OE1 3.57Å; R120-E176 IonicContact NE-OE1 3.79Å; R120-E176 PolarHBondContact NE-OE1 3.48Å; R120-E176 IonicContact NH2-OE1 3.08Å
121W92.1Very high80.2Confident18 Ų1868.3 Ų68.37%0.06838%0.375CS..  trans-131.8157.217857.388.9000110.2N108 L111 L113 S119 I126 A133 H136 L137 A140N108-W121 PolarHBondContact OD1-NE1 2.83Å; L111-W121 HydrophobicContact CD1-CH2 4.13Å; L111-W121 HydrophobicContact CD1-CZ2 3.68Å; L113-W121 HydrophobicContact CD1-CH2 3.57Å; L113-W121 HydrophobicContact CD1-CZ2 3.27Å; S119-W121 PolarHBondContact O-N 2.98Å; S119-W121 PolarHBondContact OG-O 2.95Å; S119-W121 VanDerWaalsContact OG-O 3.06Å; W121-I126 HydrophobicContact CB-CD1 4.19Å; W121-I126 HydrophobicContact CB-CG1 4.37Å; W121-A133 HydrophobicContact CB-CB 4.06Å; W121-H136 HydrophobicContact CE3-CB 3.94Å; W121-H136 HydrophobicContact CZ3-CB 4.16Å; W121-L137 HydrophobicContact CB-CB 4.41Å; W121-L137 HydrophobicContact CD2-CB 3.99Å; W121-L137 HydrophobicContact CD2-CD1 4.05Å; W121-L137 HydrophobicContact CE3-CB 4.16Å; W121-L137 HydrophobicContact CG-CB 4.11Å; W121-L137 HydrophobicContact CG-CD1 4.29Å; W121-L137 HydrophobicContact CZ2-CD1 4.01Å; W121-A140 HydrophobicContact CH2-CB 3.71Å; W121-A140 HydrophobicContact CZ3-CB 4.15Å
122S91.1Very high80.6Confident49 Ų4967.2 Ų67.234%0.34337%0.369SS..  trans-150.5166.2171.965.90000109.4K124 L125 I126S122-K124 PolarHBondContact O-N 3.2Å; S122-L125 PolarHBondContact O-N 3.49Å; S122-L125 VanDerWaalsContact O-N 3.1Å; S122-L125 WeakPolarHBondContact OG-CG 3.44Å; S122-L125 PolarHBondContact OG-N 3.44Å; S122-I126 WeakPolarHBondContact O-CG1 3.44Å; S122-I126 PolarHBondContact O-N 2.86Å
123V93.3Very high81.3Confident29 Ų2964.6 Ų64.618%0.17634%0.342CS..Hα-helixtrans-52.2-45.9174.5176.90000111T97 L100 E101 L104 L125 H127T97-V123 HydrophobicContact CG2-CG1 3.64Å; L100-V123 HydrophobicContact CB-CG1 3.86Å; L100-V123 HydrophobicContact CB-CG2 4.37Å; L100-V123 HydrophobicContact CD1-CG1 4.35Å; E101-V123 HydrophobicContact CB-CG2 4.38Å; E101-V123 HydrophobicContact CG-CG1 4.28Å; E101-V123 HydrophobicContact CG-CG2 3.78Å; L104-V123 HydrophobicContact CD1-CB 4.42Å; L104-V123 HydrophobicContact CD1-CG2 3.83Å; V123-L125 PolarHBondContact O-N 3.49Å; V123-H127 WeakPolarHBondContact O-CB 3.3Å; V123-H127 PolarHBondContact O-N 3.39Å
124K91.8Very high82.4Confident137 Ų13762.1 Ų62.160%0.59633%0.329SS*.Hα-helixtrans-58.9-46.8178.7-176.6178177.1179.20111.4E22 S122 S128E22-K124 IonicContact OE1-NZ 2.88Å; E22-K124 PolarHBondContact OE1-NZ 3Å; S122-K124 PolarHBondContact O-N 3.2Å; K124-S128 VanDerWaalsContact O-CB 3.23Å; K124-S128 WeakPolarHBondContact O-CB 3.42Å; K124-S128 PolarHBondContact O-N 2.96Å; K124-S128 PolarHBondContact O-OG 3.05Å
125L92.8Very high84.6Confident60 Ų6053.4 Ų53.431%0.31429%0.289SS..Hα-helixtrans-67.7-45.8-177-68.6170.5000112.1S122 V123 S128 K129 D130 A133S122-L125 PolarHBondContact O-N 3.49Å; S122-L125 VanDerWaalsContact O-N 3.1Å; S122-L125 WeakPolarHBondContact OG-CG 3.44Å; S122-L125 PolarHBondContact OG-N 3.44Å; V123-L125 PolarHBondContact O-N 3.49Å; L125-S128 WeakPolarHBondContact CA-OG 3.49Å; L125-S128 PolarHBondContact O-N 3.5Å; L125-S128 PolarHBondContact O-OG 3.48Å; L125-K129 PolarHBondContact O-N 3.19Å; L125-D130 HydrophobicContact CB-CB 4.05Å; L125-D130 HydrophobicContact CD2-CB 4.26Å; L125-D130 WeakPolarHBondContact O-CB 3.31Å; L125-D130 PolarHBondContact O-N 3.5Å; L125-A133 HydrophobicContact CB-CB 3.67Å; L125-A133 HydrophobicContact CD1-CB 4.14Å; L125-A133 HydrophobicContact CG-CB 4.46Å
126I95.2Very high86.4Confident0 Ų049 Ų490%026%0.264CS..Hα-helixtrans-65.4-46.4178.9-61.2-58000110.3I66 F67 L100 L104 W121 S122 S128 K129 A133 L137I66-I126 HydrophobicContact CG2-CG2 4.42Å; F67-I126 WeakPolarHBondContact CA-O 3.43Å; F67-I126 VanDerWaalsContact CB-O 3.3Å; F67-I126 WeakPolarHBondContact CB-O 3.43Å; L100-I126 HydrophobicContact CD1-CB 4.45Å; L100-I126 HydrophobicContact CD1-CG2 4.18Å; L100-I126 HydrophobicContact CD2-CG2 3.91Å; L104-I126 HydrophobicContact CD1-CG1 4.29Å; W121-I126 HydrophobicContact CB-CD1 4.19Å; W121-I126 HydrophobicContact CB-CG1 4.37Å; S122-I126 WeakPolarHBondContact O-CG1 3.44Å; S122-I126 PolarHBondContact O-N 2.86Å; I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.06Å; I126-K129 PolarHBondContact O-N 2.75Å; I126-A133 HydrophobicContact CD1-CB 4.06Å; I126-L137 HydrophobicContact CD1-CD2 4.06Å; I126-L137 HydrophobicContact CG1-CD2 4.36Å
127H94.8Very high88.4Confident41 Ų4145.1 Ų45.119%0.1924%0.238CC..Hα-helixtrans-63.8-33.1178.5-169.4-108000112.6S93 Q96 L100 V123 K129S93-H127 PolarHBondContact OG-CE1 3.44Å; S93-H127 VanDerWaalsContact OG-CE1 3.22Å; Q96-H127 PolarHBondContact OE1-NE2 3.03Å; L100-H127 HydrophobicContact CD1-CB 3.77Å; V123-H127 WeakPolarHBondContact O-CB 3.3Å; V123-H127 PolarHBondContact O-N 3.39Å; H127-K129 PolarHBondContact O-N 2.76Å
128S92.9Very high90.6Very high73 Ų7340.1 Ų40.151%0.5120%0.202SC..THydrogen-bonded Turntrans-79.311.7174.269.60000114.6K124 L125 I126 D130K124-S128 VanDerWaalsContact O-CB 3.23Å; K124-S128 WeakPolarHBondContact O-CB 3.42Å; K124-S128 PolarHBondContact O-N 2.96Å; K124-S128 PolarHBondContact O-OG 3.05Å; L125-S128 WeakPolarHBondContact CA-OG 3.49Å; L125-S128 PolarHBondContact O-N 3.5Å; L125-S128 PolarHBondContact O-OG 3.48Å; I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.06Å; S128-D130 VanDerWaalsContact C-N 3.27Å; S128-D130 PolarHBondContact O-N 2.95Å
129K94.6Very high92.4Very high71 Ų7133.9 Ų33.931%0.30917%0.17SC..THydrogen-bonded Turntrans58.836.2-179.9-50.6-172.3178.21790113.3E63 E64 F67 L125 I126 H127 L131E63-K129 HydrophobicContact CB-CB 4.26Å; E63-K129 WeakPolarHBondContact O-CG 3.31Å; E64-K129 IonicContact OE1-NZ 2.92Å; E64-K129 IonicContact OE2-NZ 2.67Å; E64-K129 PolarHBondContact OE2-NZ 3.27Å; F67-K129 HydrophobicContact CB-CG 3.75Å; F67-K129 HydrophobicContact CD2-CG 4.44Å; F67-K129 HydrophobicContact CG-CD 4.42Å; F67-K129 HydrophobicContact CG-CG 3.98Å; L125-K129 PolarHBondContact O-N 3.19Å; I126-K129 PolarHBondContact O-N 2.75Å; H127-K129 PolarHBondContact O-N 2.76Å; K129-L131 PolarHBondContact O-N 3.36Å; K129-L131 VanDerWaalsContact O-N 3.09Å
130D93.4Very high93.6Very high34 Ų3434.1 Ų34.118%0.18217%0.173CC..  trans-71.2107.2176.3-170.8-63.1000109.7L125 S128 L132 A133 T134L125-D130 HydrophobicContact CB-CB 4.05Å; L125-D130 HydrophobicContact CD2-CB 4.26Å; L125-D130 WeakPolarHBondContact O-CB 3.31Å; L125-D130 PolarHBondContact O-N 3.5Å; S128-D130 VanDerWaalsContact C-N 3.27Å; S128-D130 PolarHBondContact O-N 2.95Å; D130-L132 VanDerWaalsContact C-N 3.27Å; D130-L132 PolarHBondContact O-N 3.35Å; D130-L132 WeakPolarHBondContact OD1-CA 3.38Å; D130-L132 WeakPolarHBondContact OD1-CB 3.49Å; D130-L132 PolarHBondContact OD1-N 2.85Å; D130-A133 HydrophobicContact CB-CB 4.03Å; D130-A133 PolarHBondContact O-N 2.95Å; D130-A133 PolarHBondContact OD1-N 3.49Å; D130-T134 WeakPolarHBondContact O-CB 3.3Å; D130-T134 PolarHBondContact O-N 2.8Å; D130-T134 PolarHBondContact O-OG1 3.25Å
131L94.5Very high93.9Very high15 Ų1527.6 Ų27.68%0.07915%0.148CC..Hα-helixtrans-59.5-37.8-179.4-178.358.9000112.2I27 L32 L62 E63 K129 T134 L135I27-L131 HydrophobicContact CD1-CB 4.41Å; I27-L131 HydrophobicContact CD1-CD2 4.22Å; I27-L131 HydrophobicContact CD1-CG 4.27Å; L32-L131 HydrophobicContact CD2-CD2 3.82Å; L62-L131 HydrophobicContact CB-CD1 4.48Å; E63-L131 HydrophobicContact CB-CD1 4.45Å; E63-L131 WeakPolarHBondContact OE2-CB 3.28Å; K129-L131 PolarHBondContact O-N 3.36Å; K129-L131 VanDerWaalsContact O-N 3.09Å; L131-T134 PolarHBondContact O-N 3.33Å; L131-L135 HydrophobicContact CD1-CD1 4.07Å; L131-L135 HydrophobicContact CD1-CG 4.01Å; L131-L135 HydrophobicContact CG-CD1 3.85Å; L131-L135 HydrophobicContact CG-CG 4.25Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 WeakPolarHBondContact O-CG 3.3Å; L131-L135 PolarHBondContact O-N 3.18Å
132L94Very high93.9Very high9 Ų926.8 Ų26.85%0.04715%0.145CC..Hα-helixtrans-66.6-48.4-177.3-172.970.5000110.6K25 I27 D130 T134 L135 H136 V157 V159 E176 L178K25-L132 HydrophobicContact CD-CD2 3.96Å; K25-L132 HydrophobicContact CG-CD2 3.89Å; I27-L132 HydrophobicContact CD1-CB 4.01Å; I27-L132 HydrophobicContact CD1-CD1 4Å; I27-L132 HydrophobicContact CG1-CB 4.06Å; I27-L132 HydrophobicContact CG1-CD1 4Å; D130-L132 VanDerWaalsContact C-N 3.27Å; D130-L132 PolarHBondContact O-N 3.35Å; D130-L132 WeakPolarHBondContact OD1-CA 3.38Å; D130-L132 WeakPolarHBondContact OD1-CB 3.49Å; D130-L132 PolarHBondContact OD1-N 2.85Å; L132-T134 VanDerWaalsContact C-N 3.3Å; L132-T134 PolarHBondContact O-N 3.02Å; L132-L135 PolarHBondContact O-N 3.19Å; L132-H136 PolarHBondContact O-CD2 2.87Å; L132-H136 PolarHBondContact O-N 3.09Å; L132-V157 HydrophobicContact CD1-CG2 3.78Å; L132-V159 HydrophobicContact CD1-CG1 4.38Å; L132-V159 HydrophobicContact CD2-CG1 3.97Å; L132-E176 HydrophobicContact CD1-CB 4.31Å; L132-E176 HydrophobicContact CD1-CG 4.04Å; L132-E176 HydrophobicContact CD2-CG 4.32Å; L132-L178 HydrophobicContact CD1-CD2 3.95Å
133A93.8Very high93.7Very high1 Ų128.8 Ų28.81%0.00815%0.146CC..Hα-helixtrans-60.2-42.3175.100000111.6W121 L125 I126 D130 H136 L137W121-A133 HydrophobicContact CB-CB 4.06Å; L125-A133 HydrophobicContact CB-CB 3.67Å; L125-A133 HydrophobicContact CD1-CB 4.14Å; L125-A133 HydrophobicContact CG-CB 4.46Å; I126-A133 HydrophobicContact CD1-CB 4.06Å; D130-A133 HydrophobicContact CB-CB 4.03Å; D130-A133 PolarHBondContact O-N 2.95Å; D130-A133 PolarHBondContact OD1-N 3.49Å; A133-H136 PolarHBondContact O-N 3.05Å; A133-L137 WeakPolarHBondContact O-CB 3.37Å; A133-L137 PolarHBondContact O-N 3.35Å
134T96.1Very high93.4Very high1 Ų130 Ų301%0.00616%0.155CC..Hα-helixtrans-61.9-45.5177.9-57.60000111.4L62 I66 D130 L131 L132 L137 L138L62-T134 HydrophobicContact CB-CG2 4.1Å; I66-T134 HydrophobicContact CB-CG2 4.25Å; I66-T134 HydrophobicContact CD1-CG2 3.69Å; I66-T134 HydrophobicContact CG2-CG2 4.19Å; D130-T134 WeakPolarHBondContact O-CB 3.3Å; D130-T134 PolarHBondContact O-N 2.8Å; D130-T134 PolarHBondContact O-OG1 3.25Å; L131-T134 PolarHBondContact O-N 3.33Å; L132-T134 VanDerWaalsContact C-N 3.3Å; L132-T134 PolarHBondContact O-N 3.02Å; T134-L137 PolarHBondContact O-N 3.35Å; T134-L138 HydrophobicContact CG2-CD1 4.03Å; T134-L138 HydrophobicContact CG2-CG 4.49Å; T134-L138 VanDerWaalsContact O-CG 3.28Å; T134-L138 WeakPolarHBondContact O-CG 3.44Å; T134-L138 PolarHBondContact O-N 3.18Å
135L96.1Very high93.2Very high0 Ų025.7 Ų25.70%014%0.136CC..Hα-helixtrans-62.7-45.4177.2-72.5168.9000111.8L37 L40 K41 L44 L62 L131 L132 L137 L138 V139 L178L37-L135 HydrophobicContact CD1-CD1 3.72Å; L40-L135 HydrophobicContact CD2-CD2 4.46Å; K41-L135 HydrophobicContact CG-CD2 4.07Å; L44-L135 HydrophobicContact CD1-CD2 3.68Å; L62-L135 HydrophobicContact CD1-CD2 3.79Å; L131-L135 HydrophobicContact CD1-CD1 4.07Å; L131-L135 HydrophobicContact CD1-CG 4.01Å; L131-L135 HydrophobicContact CG-CD1 3.85Å; L131-L135 HydrophobicContact CG-CG 4.25Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 WeakPolarHBondContact O-CG 3.3Å; L131-L135 PolarHBondContact O-N 3.18Å; L132-L135 PolarHBondContact O-N 3.19Å; L135-L137 PolarHBondContact O-N 3.14Å; L135-L138 PolarHBondContact O-N 3.48Å; L135-V139 WeakPolarHBondContact O-CB 3.3Å; L135-V139 VanDerWaalsContact O-CG2 3.28Å; L135-V139 WeakPolarHBondContact O-CG2 3.22Å; L135-V139 PolarHBondContact O-N 2.86Å; L135-L178 HydrophobicContact CB-CD2 3.96Å; L135-L178 HydrophobicContact CD1-CD1 3.92Å
136H94.4Very high93Very high11 Ų1125.8 Ų25.85%0.05114%0.135CC..Hα-helixtrans-60.8-43.6177.1-79.4-59.4000112.8R120 W121 L132 A133 A140 E176 I177R120-H136 HydrophobicContact CB-CB 3.96Å; R120-H136 WeakPolarHBondContact CD-CE1 3.31Å; R120-H136 WeakPolarHBondContact CD-ND1 3.26Å; R120-H136 WeakPolarHBondContact CD-NE2 3.13Å; W121-H136 HydrophobicContact CE3-CB 3.94Å; W121-H136 HydrophobicContact CZ3-CB 4.16Å; L132-H136 PolarHBondContact O-CD2 2.87Å; L132-H136 PolarHBondContact O-N 3.09Å; A133-H136 PolarHBondContact O-N 3.05Å; H136-A140 WeakPolarHBondContact O-CB 3.25Å; H136-A140 PolarHBondContact O-N 3.46Å; H136-E176 IonicContact CE1-OE1 3.35Å; H136-E176 VanDerWaalsContact NE2-CG 3.28Å; H136-E176 WeakPolarHBondContact NE2-CG 3.46Å; H136-E176 IonicContact NE2-OE1 2.81Å; H136-E176 PolarHBondContact NE2-OE1 3.38Å; H136-I177 PolarHBondContact CE1-O 3.48Å
137L95.3Very high92.5Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-60.5-50.2177.2174.561000110.9L72 L104 L107 L111 W121 I126 A133 T134 L135 A140 M141L72-L137 HydrophobicContact CD1-CD2 3.76Å; L72-L137 HydrophobicContact CD2-CD2 4.01Å; L104-L137 HydrophobicContact CD2-CD1 4.36Å; L104-L137 HydrophobicContact CD2-CD2 3.75Å; L107-L137 HydrophobicContact CD1-CD1 4.38Å; L111-L137 HydrophobicContact CD1-CD1 4.36Å; W121-L137 HydrophobicContact CB-CB 4.41Å; W121-L137 HydrophobicContact CD2-CB 3.99Å; W121-L137 HydrophobicContact CD2-CD1 4.05Å; W121-L137 HydrophobicContact CE3-CB 4.16Å; W121-L137 HydrophobicContact CG-CB 4.11Å; W121-L137 HydrophobicContact CG-CD1 4.29Å; W121-L137 HydrophobicContact CZ2-CD1 4.01Å; I126-L137 HydrophobicContact CD1-CD2 4.06Å; I126-L137 HydrophobicContact CG1-CD2 4.36Å; A133-L137 WeakPolarHBondContact O-CB 3.37Å; A133-L137 PolarHBondContact O-N 3.35Å; T134-L137 PolarHBondContact O-N 3.35Å; L135-L137 PolarHBondContact O-N 3.14Å; L137-A140 WeakPolarHBondContact O-CB 3.46Å; L137-A140 PolarHBondContact O-N 2.91Å; L137-M141 HydrophobicContact CD1-CG 4.3Å; L137-M141 HydrophobicContact CD1-SD 4.24Å; L137-M141 HydrophobicContact CG-SD 4.15Å; L137-M141 WeakPolarHBondContact O-CG 3.42Å; L137-M141 PolarHBondContact O-N 3.29Å
138L96.3Very high92Very high0 Ų034.8 Ų34.80%019%0.189CC..Hα-helixtrans-65.8-40.3-178.2-68.4173.1000112.8L44 W47 I48 L62 I66 L72 T134 L135 A140 M141 V142L44-L138 HydrophobicContact CB-CD1 4.43Å; L44-L138 HydrophobicContact CD1-CB 4Å; L44-L138 HydrophobicContact CD1-CD1 4.14Å; L44-L138 HydrophobicContact CD2-CB 4.09Å; W47-L138 HydrophobicContact CZ3-CD2 4.16Å; I48-L138 HydrophobicContact CD1-CD1 4.2Å; I48-L138 HydrophobicContact CD1-CD2 3.94Å; L62-L138 HydrophobicContact CB-CD1 4.43Å; L62-L138 HydrophobicContact CD1-CD1 3.94Å; L62-L138 HydrophobicContact CD2-CD1 3.73Å; L62-L138 HydrophobicContact CG-CD1 4.25Å; I66-L138 HydrophobicContact CD1-CD1 3.56Å; I66-L138 HydrophobicContact CD1-CD2 3.99Å; I66-L138 HydrophobicContact CD1-CG 4.13Å; L72-L138 HydrophobicContact CD2-CD2 4.49Å; T134-L138 HydrophobicContact CG2-CD1 4.03Å; T134-L138 HydrophobicContact CG2-CG 4.49Å; T134-L138 VanDerWaalsContact O-CG 3.28Å; T134-L138 WeakPolarHBondContact O-CG 3.44Å; T134-L138 PolarHBondContact O-N 3.18Å; L135-L138 PolarHBondContact O-N 3.48Å; L138-A140 VanDerWaalsContact C-N 3.32Å; L138-A140 PolarHBondContact O-N 3.36Å; L138-M141 HydrophobicContact CD2-SD 4.47Å; L138-M141 PolarHBondContact O-N 2.85Å; L138-V142 WeakPolarHBondContact O-CG2 3.42Å; L138-V142 PolarHBondContact O-N 3Å
139V94.8Very high91.8Very high4 Ų433.4 Ų33.42%0.02418%0.176CC..Hα-helixtrans-61-43.4174.2168.50000110.5L40 L44 L135 M141 V142 R143 L151 L178 T179L40-V139 HydrophobicContact CD1-CG2 4.18Å; L40-V139 HydrophobicContact CD2-CG2 4.38Å; L44-V139 HydrophobicContact CD1-CG2 4.44Å; L135-V139 WeakPolarHBondContact O-CB 3.3Å; L135-V139 VanDerWaalsContact O-CG2 3.28Å; L135-V139 WeakPolarHBondContact O-CG2 3.22Å; L135-V139 PolarHBondContact O-N 2.86Å; V139-M141 VanDerWaalsContact C-N 3.34Å; V139-M141 PolarHBondContact O-N 3.47Å; V139-V142 PolarHBondContact O-N 2.74Å; V139-R143 WeakPolarHBondContact O-CB 3.5Å; V139-R143 VanDerWaalsContact O-CG 3.31Å; V139-R143 WeakPolarHBondContact O-CG 3.45Å; V139-R143 PolarHBondContact O-N 2.98Å; V139-L151 HydrophobicContact CB-CD1 4.43Å; V139-L151 HydrophobicContact CG1-CD1 3.86Å; V139-L151 HydrophobicContact CG2-CD1 4.29Å; V139-L178 WeakPolarHBondContact CG1-O 3.43Å; V139-T179 HydrophobicContact CG1-CG2 4.46Å; V139-T179 HydrophobicContact CG2-CG2 4.34Å
140A91.3Very high91.6Very high26 Ų2636.6 Ų36.622%0.21519%0.192CC..Hα-helixtrans-62.1-41.6175.700000112L111 W121 H136 L137 L138 R143 C144L111-A140 HydrophobicContact CD1-CB 4.1Å; L111-A140 HydrophobicContact CD2-CB 4.35Å; L111-A140 WeakPolarHBondContact CD2-O 3.32Å; W121-A140 HydrophobicContact CH2-CB 3.71Å; W121-A140 HydrophobicContact CZ3-CB 4.15Å; H136-A140 WeakPolarHBondContact O-CB 3.25Å; H136-A140 PolarHBondContact O-N 3.46Å; L137-A140 WeakPolarHBondContact O-CB 3.46Å; L137-A140 PolarHBondContact O-N 2.91Å; L138-A140 VanDerWaalsContact C-N 3.32Å; L138-A140 PolarHBondContact O-N 3.36Å; A140-R143 PolarHBondContact O-N 2.74Å; A140-C144 WeakPolarHBondContact O-CB 3.4Å; A140-C144 PolarHBondContact O-N 2.96Å
141M92.4Very high91.5Very high0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-63.2-45.7175.5-70.7178.767.400112.3W47 L72 L75 L107 L137 L138 V139 R143 C144 F145W47-M141 HydrophobicContact CH2-CB 3.92Å; L72-M141 HydrophobicContact CD2-CE 4.39Å; L72-M141 HydrophobicContact CD2-SD 3.83Å; L75-M141 HydrophobicContact CB-CE 3.82Å; L75-M141 HydrophobicContact CD1-CE 3.98Å; L107-M141 HydrophobicContact CD1-CE 4.46Å; L107-M141 HydrophobicContact CD1-SD 4.06Å; L107-M141 HydrophobicContact CD2-CE 3.69Å; L107-M141 HydrophobicContact CD2-CG 4.01Å; L107-M141 HydrophobicContact CD2-SD 3.85Å; L137-M141 HydrophobicContact CD1-CG 4.3Å; L137-M141 HydrophobicContact CD1-SD 4.24Å; L137-M141 HydrophobicContact CG-SD 4.15Å; L137-M141 WeakPolarHBondContact O-CG 3.42Å; L137-M141 PolarHBondContact O-N 3.29Å; L138-M141 HydrophobicContact CD2-SD 4.47Å; L138-M141 PolarHBondContact O-N 2.85Å; V139-M141 VanDerWaalsContact C-N 3.34Å; V139-M141 PolarHBondContact O-N 3.47Å; M141-R143 VanDerWaalsContact C-N 3.32Å; M141-R143 PolarHBondContact O-N 2.94Å; M141-C144 PolarHBondContact O-N 3.37Å; M141-F145 HydrophobicContact CB-CD2 4.17Å; M141-F145 HydrophobicContact CB-CE2 4.48Å; M141-F145 HydrophobicContact CG-CE2 4.42Å; M141-F145 WeakPolarHBondContact O-CB 3.37Å; M141-F145 VanDerWaalsContact O-CD2 3.25Å; M141-F145 WeakPolarHBondContact O-CD2 3.34Å; M141-F145 PolarHBondContact O-N 3.07Å
142V92.9Very high91.3Very high1 Ų135.6 Ų35.61%0.00619%0.188CC..Hα-helixtrans-57.3-47.7175.4167.40000110.4L44 W47 L138 V139 C144 F145 Q146 L149 L151L44-V142 HydrophobicContact CD2-CG2 3.75Å; W47-V142 HydrophobicContact CD2-CG2 3.6Å; W47-V142 HydrophobicContact CE3-CG2 3.45Å; W47-V142 VanDerWaalsContact CE3-CG2 3.45Å; W47-V142 HydrophobicContact CG-CG2 4.31Å; W47-V142 HydrophobicContact CH2-CG2 3.85Å; W47-V142 HydrophobicContact CZ2-CG2 3.98Å; W47-V142 HydrophobicContact CZ3-CG2 3.59Å; L138-V142 WeakPolarHBondContact O-CG2 3.42Å; L138-V142 PolarHBondContact O-N 3Å; V139-V142 PolarHBondContact O-N 2.74Å; V142-C144 VanDerWaalsContact C-N 3.28Å; V142-C144 PolarHBondContact O-N 3.02Å; V142-F145 PolarHBondContact O-N 2.89Å; V142-Q146 CarbonylContact O-C 3.47Å; V142-Q146 VanDerWaalsContact O-CA 3.3Å; V142-Q146 WeakPolarHBondContact O-CA 3.42Å; V142-Q146 PolarHBondContact O-N 2.87Å; V142-L149 HydrophobicContact CG1-CB 3.96Å; V142-L149 HydrophobicContact CG1-CD2 3.78Å; V142-L149 HydrophobicContact CG1-CG 4.27Å; V142-L149 HydrophobicContact CG2-CD2 4.05Å; V142-L151 HydrophobicContact CB-CD1 4.31Å; V142-L151 HydrophobicContact CG1-CD1 3.93Å; V142-L151 HydrophobicContact CG1-CD2 4.04Å; V142-L151 HydrophobicContact CG1-CG 3.99Å
143R87.6Confident91Very high91 Ų9138.3 Ų38.334%0.34321%0.206SC..Hα-helixtrans-62-36.1-179.5-73.4172.5172.9-172.4-9.7112.8V139 A140 M141 D180 D183V139-R143 WeakPolarHBondContact O-CB 3.5Å; V139-R143 VanDerWaalsContact O-CG 3.31Å; V139-R143 WeakPolarHBondContact O-CG 3.45Å; V139-R143 PolarHBondContact O-N 2.98Å; A140-R143 PolarHBondContact O-N 2.74Å; M141-R143 VanDerWaalsContact C-N 3.32Å; M141-R143 PolarHBondContact O-N 2.94Å; R143-D180 IonicContact CZ-OD2 2.76Å; R143-D180 VanDerWaalsContact CZ-OD2 3.24Å; R143-D180 IonicContact NH1-OD2 2.74Å; R143-D180 PolarHBondContact NH1-OD2 3.15Å; R143-D180 IonicContact NH2-OD2 3.77Å; R143-D180 PolarHBondContact NH2-OD2 2.93Å; R143-D183 IonicContact NH2-OD1 2.79Å; R143-D183 IonicContact NH2-OD2 3.88Å; R143-D183 PolarHBondContact NH2-OD2 3.24Å; R143-D183 VanDerWaalsContact NH2-OD2 3.08Å
144C87.6Confident90.7Very high55 Ų5540.2 Ų40.237%0.37222%0.216SC..Hα-helixtrans-77.7-45.8179.6-175.70000112.8L111 A140 M141 V142L111-C144 HydrophobicContact CD2-CB 3.44Å; L111-C144 VanDerWaalsContact CD2-CB 3.44Å; A140-C144 WeakPolarHBondContact O-CB 3.4Å; A140-C144 PolarHBondContact O-N 2.96Å; M141-C144 PolarHBondContact O-N 3.37Å; V142-C144 VanDerWaalsContact C-N 3.28Å; V142-C144 PolarHBondContact O-N 3.02Å
145F86.9Confident90.5Very high47 Ų4740.2 Ų40.221%0.20622%0.216CC..Hα-helixtrans-103.8-21.2-167.8-60.8-62.5000114.3L79 A80 L107 K110 M141 V142L79-F145 HydrophobicContact CB-CB 3.94Å; L79-F145 HydrophobicContact CB-CD1 4.02Å; L79-F145 HydrophobicContact CB-CD2 4.28Å; L79-F145 HydrophobicContact CB-CG 3.82Å; L79-F145 HydrophobicContact CD1-CB 3.9Å; L79-F145 HydrophobicContact CD1-CD2 4.05Å; L79-F145 HydrophobicContact CD1-CG 4.13Å; L79-F145 HydrophobicContact CD2-CB 4.21Å; L79-F145 HydrophobicContact CG-CB 4.24Å; A80-F145 HydrophobicContact CB-CE1 3.86Å; A80-F145 HydrophobicContact CB-CZ 4.17Å; L107-F145 HydrophobicContact CD2-CE2 4.2Å; K110-F145 HydrophobicContact CB-CE1 4.35Å; K110-F145 HydrophobicContact CB-CZ 3.81Å; K110-F145 HydrophobicContact CG-CZ 4.42Å; M141-F145 HydrophobicContact CB-CD2 4.17Å; M141-F145 HydrophobicContact CB-CE2 4.48Å; M141-F145 HydrophobicContact CG-CE2 4.42Å; M141-F145 WeakPolarHBondContact O-CB 3.37Å; M141-F145 VanDerWaalsContact O-CD2 3.25Å; M141-F145 WeakPolarHBondContact O-CD2 3.34Å; M141-F145 PolarHBondContact O-N 3.07Å; V142-F145 PolarHBondContact O-N 2.89Å
146Q88.1Confident90.3Very high62 Ų6245.3 Ų45.329%0.2924%0.235SC..  trans-142.163.4-179.6-162170.9-51.900111.7W47 V142 N148 L149W47-Q146 VanDerWaalsContact CD1-CD 3.5Å; V142-Q146 CarbonylContact O-C 3.47Å; V142-Q146 VanDerWaalsContact O-CA 3.3Å; V142-Q146 WeakPolarHBondContact O-CA 3.42Å; V142-Q146 PolarHBondContact O-N 2.87Å; Q146-N148 PolarHBondContact O-N 3.25Å; Q146-L149 HydrophobicContact CB-CB 4.47Å; Q146-L149 HydrophobicContact CG-CB 3.99Å; Q146-L149 WeakPolarHBondContact O-CB 3.17Å; Q146-L149 PolarHBondContact O-N 3.03Å
147P84.5Confident90.1Very high88 Ų8844.9 Ų44.957%0.57123%0.233SC*.THydrogen-bonded Turntrans-62.6-18.7-176.125.9-36000114.1L149P147-L149 VanDerWaalsContact C-N 3.28Å; P147-L149 PolarHBondContact O-N 3.26Å
148N84Confident89.8Confident142 Ų14247.6 Ų47.676%0.75925%0.246SC*.THydrogen-bonded Turntrans-79.7-6.9176-61.1-28.5000113.4Q146 E150Q146-N148 PolarHBondContact O-N 3.25Å; N148-E150 PolarHBondContact O-N 2.74Å
149L89.8Confident89.6Confident44 Ų4447.6 Ų47.623%0.2325%0.246CC..SBendtrans-79.3116174.9-177.766.9000109.6V43 W47 V142 Q146 P147 L151V43-L149 HydrophobicContact CG1-CD1 4.43Å; V43-L149 HydrophobicContact CG1-CD2 4.21Å; V43-L149 HydrophobicContact CG1-CG 4.36Å; W47-L149 HydrophobicContact CB-CD2 3.62Å; W47-L149 HydrophobicContact CD2-CD2 4.37Å; W47-L149 HydrophobicContact CG-CD2 3.6Å; V142-L149 HydrophobicContact CG1-CB 3.96Å; V142-L149 HydrophobicContact CG1-CD2 3.78Å; V142-L149 HydrophobicContact CG1-CG 4.27Å; V142-L149 HydrophobicContact CG2-CD2 4.05Å; Q146-L149 HydrophobicContact CB-CB 4.47Å; Q146-L149 HydrophobicContact CG-CB 3.99Å; Q146-L149 WeakPolarHBondContact O-CB 3.17Å; Q146-L149 PolarHBondContact O-N 3.03Å; P147-L149 VanDerWaalsContact C-N 3.28Å; P147-L149 PolarHBondContact O-N 3.26Å; L149-L151 PolarHBondContact O-N 2.92Å
150E89.1Confident89.1Confident137 Ų13748.8 Ų48.864%0.6425%0.253SS*.  trans-70.5111.3176.2-64.9-178.6175.700110.9N148N148-E150 PolarHBondContact O-N 2.74Å
151L92.2Very high88.9Confident8 Ų849.9 Ų49.94%0.04226%0.255CS..PPolyproline II helixtrans-84.9146.1168.5-64.7177.5000109.4L40 V43 L44 V139 V142 L149 T179L40-L151 HydrophobicContact CD1-CD2 4.01Å; V43-L151 HydrophobicContact CG1-CD2 4.02Å; L44-L151 HydrophobicContact CD2-CD2 4.09Å; V139-L151 HydrophobicContact CB-CD1 4.43Å; V139-L151 HydrophobicContact CG1-CD1 3.86Å; V139-L151 HydrophobicContact CG2-CD1 4.29Å; V142-L151 HydrophobicContact CB-CD1 4.31Å; V142-L151 HydrophobicContact CG1-CD1 3.93Å; V142-L151 HydrophobicContact CG1-CD2 4.04Å; V142-L151 HydrophobicContact CG1-CG 3.99Å; L149-L151 PolarHBondContact O-N 2.92Å; L151-T179 HydrophobicContact CB-CG2 4.08Å; L151-T179 HydrophobicContact CD1-CG2 4.31Å
152P90.3Very high88.3Confident20 Ų2052.4 Ų52.413%0.1327%0.269CS..PPolyproline II helixtrans-57.2126.9174.1-23.734.4000109.9K39 L40 V43 V155 T179K39-P152 HydrophobicContact CB-CG 4.28Å; K39-P152 HydrophobicContact CG-CB 4.46Å; K39-P152 HydrophobicContact CG-CG 3.72Å; L40-P152 HydrophobicContact CB-CG 4.29Å; V43-P152 HydrophobicContact CG2-CG 4.37Å; P152-V155 HydrophobicContact CB-CG2 3.83Å; P152-V155 VanDerWaalsContact O-CG2 3.32Å; P152-V155 WeakPolarHBondContact O-CG2 3.32Å; P152-T179 VanDerWaalsContact O-CB 3.29Å; P152-T179 WeakPolarHBondContact O-CB 3.32Å; P152-T179 PolarHBondContact O-OG1 3.4Å
153P88.2Confident87.6Confident67 Ų6753.8 Ų53.844%0.43528%0.275SS..SBendtrans-74.5150.8-176.829-34.8000111V155 D180P153-V155 PolarHBondContact O-N 2.88Å; P153-D180 WeakPolarHBondContact CA-O 3.44Å
154N87Confident86.9Confident41 Ų4151.2 Ų51.222%0.21927%0.269CS..SBendtrans55.746.1170.9-156.39.7000114R156 T179 D180 E181N154-R156 PolarHBondContact O-N 3.18Å; N154-R156 PolarHBondContact OD1-NE 2.91Å; N154-R156 PolarHBondContact OD1-NH2 2.64Å; N154-T179 PolarHBondContact N-OG1 2.93Å; N154-D180 PolarHBondContact N-O 2.9Å; N154-E181 HydrophobicContact CB-CG 4.06Å; N154-E181 PolarHBondContact ND2-OE1 2.93Å
155V91.6Very high86.1Confident1 Ų151.6 Ų51.61%0.00627%0.267CS..  trans-81.5115172.5-176.50000107.3K36 L37 L40 P152 P153 L178 T179K36-V155 HydrophobicContact CB-CG2 4.25Å; L37-V155 HydrophobicContact CB-CG1 4.44Å; L37-V155 HydrophobicContact CD1-CG1 4.29Å; L40-V155 HydrophobicContact CB-CG1 4.48Å; L40-V155 HydrophobicContact CB-CG2 4.23Å; L40-V155 HydrophobicContact CD2-CB 4.23Å; L40-V155 HydrophobicContact CD2-CG1 3.94Å; L40-V155 HydrophobicContact CD2-CG2 4.31Å; P152-V155 HydrophobicContact CB-CG2 3.83Å; P152-V155 VanDerWaalsContact O-CG2 3.32Å; P152-V155 WeakPolarHBondContact O-CG2 3.32Å; P153-V155 PolarHBondContact O-N 2.88Å; V155-L178 HydrophobicContact CB-CB 4.19Å; V155-L178 HydrophobicContact CG1-CB 4.17Å; V155-L178 HydrophobicContact CG1-CD1 3.93Å; V155-L178 WeakPolarHBondContact O-CB 3.31Å; V155-L178 PolarHBondContact O-N 3.08Å; V155-T179 HydrophobicContact CB-CG2 4.49Å; V155-T179 VanDerWaalsContact CB-OG1 3.29Å; V155-T179 WeakPolarHBondContact CB-OG1 3.38Å; V155-T179 HydrophobicContact CG2-CG2 4.41Å; V155-T179 VanDerWaalsContact CG2-OG1 3.26Å; V155-T179 WeakPolarHBondContact CG2-OG1 3.49Å; V155-T179 PolarHBondContact N-OG1 3.47Å; V155-T179 PolarHBondContact O-N 2.97Å
156R91.3Very high85.3Confident107 Ų10760.3 Ų60.340%0.40430%0.299SS..EExtended strand (participates in β ladder)trans-124.3142.2179.2-57-173.9-175.3170.17.6109.1N154 I175 E176 I177 E181N154-R156 PolarHBondContact O-N 3.18Å; N154-R156 PolarHBondContact OD1-NE 2.91Å; N154-R156 PolarHBondContact OD1-NH2 2.64Å; R156-I175 HydrophobicContact CB-CG2 3.86Å; R156-I175 HydrophobicContact CG-CG2 4.43Å; R156-E176 CarbonylContact C-O 3.6Å; R156-E176 VanDerWaalsContact CA-O 3.31Å; R156-E176 WeakPolarHBondContact CA-O 3.47Å; R156-I177 HydrophobicContact CG-CG1 4.18Å; R156-E181 IonicContact NH2-OE1 2.64Å; R156-E181 PolarHBondContact NH2-OE1 3.42Å
157V91.6Very high84.3Confident1 Ų163.1 Ų63.11%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-128.5136.3178.1-65.50000110.1I27 L37 L132 V159 E176 L178I27-V157 HydrophobicContact CG1-CG2 4.42Å; I27-V157 HydrophobicContact CG2-CB 4.18Å; L37-V157 HydrophobicContact CB-CG1 4.47Å; L37-V157 HydrophobicContact CD1-CG1 3.91Å; L37-V157 HydrophobicContact CD2-CG1 3.81Å; L37-V157 HydrophobicContact CG-CG1 4.28Å; L132-V157 HydrophobicContact CD1-CG2 3.78Å; V157-V159 HydrophobicContact CG2-CG1 4.04Å; V157-E176 HydrophobicContact CG2-CB 3.98Å; V157-E176 PolarHBondContact N-O 2.85Å; V157-E176 PolarHBondContact O-N 3Å; V157-L178 HydrophobicContact CG1-CD1 3.84Å; V157-L178 HydrophobicContact CG2-CD1 4.11Å; V157-L178 HydrophobicContact CG2-CG 4.3Å
158E88.9Confident83.6Confident57 Ų5760.7 Ų60.727%0.26632%0.317SS..EExtended strand (participates in β ladder)trans-76.2129.2170.9-161.5-173.3166.600108.6Q28 S31 K173 E174Q28-E158 HydrophobicContact CB-CB 4.36Å; Q28-E158 WeakPolarHBondContact CB-O 3.45Å; Q28-E158 VanDerWaalsContact CD-OE1 3.32Å; Q28-E158 HydrophobicContact CG-CB 4.39Å; Q28-E158 HydrophobicContact CG-CG 4.33Å; Q28-E158 PolarHBondContact N-O 3.16Å; Q28-E158 VanDerWaalsContact NE2-CG 3.3Å; Q28-E158 PolarHBondContact NE2-OE1 3.14Å; Q28-E158 PolarHBondContact OE1-OE1 3.4Å; Q28-E158 PolarHBondContact OE1-OE2 3.37Å; S31-E158 WeakPolarHBondContact OG-CB 3.47Å; S31-E158 PolarHBondContact OG-N 2.77Å; E158-K173 VanDerWaalsContact OE1-CD 3.24Å; E158-K173 WeakPolarHBondContact OE1-CD 3.42Å; E158-K173 WeakPolarHBondContact OE1-CE 2.94Å; E158-K173 IonicContact OE1-NZ 3.48Å; E158-K173 PolarHBondContact OE1-NZ 3.43Å; E158-E174 WeakPolarHBondContact CA-O 3.42Å
159V90.9Very high83.3Confident0 Ų059.7 Ų59.70%031%0.31CS..EExtended strand (participates in β ladder)trans-122.8149.6-178.5-59.70000109.8K25 I26 I27 L132 V157 K173 E174 E176K25-V159 HydrophobicContact CD-CG2 4.18Å; K25-V159 HydrophobicContact CG-CB 3.93Å; K25-V159 HydrophobicContact CG-CG1 4.43Å; K25-V159 HydrophobicContact CG-CG2 3.91Å; I26-V159 CarbonylContact O-C 3.59Å; I26-V159 VanDerWaalsContact O-CA 3.23Å; I26-V159 WeakPolarHBondContact O-CA 3.44Å; I27-V159 HydrophobicContact CG1-CG1 4.35Å; L132-V159 HydrophobicContact CD1-CG1 4.38Å; L132-V159 HydrophobicContact CD2-CG1 3.97Å; V157-V159 HydrophobicContact CG2-CG1 4.04Å; V159-K173 WeakPolarHBondContact O-CA 3.26Å; V159-E174 HydrophobicContact CG2-CB 3.79Å; V159-E174 HydrophobicContact CG2-CG 4.47Å; V159-E174 WeakPolarHBondContact CG2-O 3.36Å; V159-E174 PolarHBondContact N-O 3.38Å; V159-E174 PolarHBondContact O-N 3.17Å; V159-E176 HydrophobicContact CG1-CB 3.92Å; V159-E176 HydrophobicContact CG2-CB 4.4Å
160V86.1Confident82.7Confident30 Ų3062.8 Ų62.818%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-110120.2172.8-1750000108.1I26 Q28 L162 E172I26-V160 PolarHBondContact N-O 2.95Å; I26-V160 PolarHBondContact O-N 3.04Å; Q28-V160 HydrophobicContact CG-CG2 3.48Å; Q28-V160 VanDerWaalsContact CG-CG2 3.48Å; Q28-V160 VanDerWaalsContact NE2-CG2 3.34Å; V160-L162 HydrophobicContact CG1-CD2 3.68Å; V160-L162 HydrophobicContact CG1-CG 4.17Å; V160-E172 CarbonylContact C-O 3.57Å; V160-E172 WeakPolarHBondContact CA-O 3.06Å
161L85.1Confident82.3Confident48 Ų4860.2 Ų60.225%0.25132%0.319SS..EExtended strand (participates in β ladder)trans-82.9112.2166.6-176.863.8000108.3R23 R24 S171 E172R23-L161 HydrophobicContact CB-CD1 4.21Å; R24-L161 CarbonylContact O-C 3.59Å; R24-L161 WeakPolarHBondContact O-CA 3.48Å; L161-S171 WeakPolarHBondContact O-CA 3.38Å; L161-E172 HydrophobicContact CB-CB 4.49Å; L161-E172 PolarHBondContact N-O 3.23Å; L161-E172 PolarHBondContact O-N 3.04Å
162L80.8Confident81.8Confident54 Ų5464.9 Ų64.928%0.28334%0.341SS..EExtended strand (participates in β ladder)trans-96.5119.9172.1-60.9177.8000108.5R23 R24 I26 V160 I169R23-L162 WeakPolarHBondContact CA-O 3.25Å; R24-L162 PolarHBondContact N-O 3.34Å; R24-L162 PolarHBondContact O-N 3.48Å; I26-L162 HydrophobicContact CD1-CD1 3.69Å; V160-L162 HydrophobicContact CG1-CD2 3.68Å; V160-L162 HydrophobicContact CG1-CG 4.17Å; L162-I169 HydrophobicContact CD2-CG2 4.04Å
163E77.8Confident81.6Confident30 Ų3070.3 Ų70.314%0.1436%0.362CS..EExtended strand (participates in β ladder)trans-118.4113.8171.4-176.6177.2-140.500108.5R23 N165 K170R23-E163 HydrophobicContact CG-CB 4.26Å; R23-E163 HydrophobicContact CG-CG 4.02Å; R23-E163 IonicContact CZ-OE1 2.82Å; R23-E163 IonicContact NE-OE1 3.84Å; R23-E163 PolarHBondContact NE-OE1 3.17Å; R23-E163 IonicContact NH2-OE1 2.61Å; R23-E163 PolarHBondContact NH2-OE1 3.36Å; E163-N165 PolarHBondContact O-N 3.46Å; E163-K170 HydrophobicContact CB-CB 4.37Å; E163-K170 PolarHBondContact N-O 2.94Å; E163-K170 PolarHBondContact O-N 3.49Å
164V72.3Confident81.5Confident37 Ų3771.6 Ų71.622%0.22436%0.362CS..EExtended strand (participates in β ladder)trans-89.1107.7178.5-177.90000108.8F19 G21 I169F19-V164 HydrophobicContact CB-CB 4.36Å; F19-V164 HydrophobicContact CB-CG1 4.23Å; F19-V164 HydrophobicContact CB-CG2 4.27Å; F19-V164 WeakPolarHBondContact O-CB 3.3Å; G21-V164 PolarHBondContact N-O 2.83Å; G21-V164 VanDerWaalsContact N-O 3.09Å; V164-I169 HydrophobicContact CG2-CG1 4.36Å
165N71.4Confident81.5Confident62 Ų6274.8 Ų74.833%0.33238%0.379SS..EExtended strand (participates in β ladder)trans-104.1163.2175.8-69.1-27.5000110E163 S167 G168E163-N165 PolarHBondContact O-N 3.46Å; N165-S167 PolarHBondContact O-N 3.31Å; N165-G168 PolarHBondContact N-O 2.96Å; N165-G168 PolarHBondContact O-N 3.5Å; N165-G168 VanDerWaalsContact O-O 3.11Å
166R69.6Low81.4Confident230 Ų23075.5 Ų75.587%0.86838%0.382SS*.THydrogen-bonded Turntrans-57.2-18.6176-64.4-179.1-179.3169.60.7113.6
167S68.8Low81.3Confident121 Ų12173.7 Ų73.785%0.84638%0.379SS*.THydrogen-bonded Turntrans-97.9-0.9179.355.50000114.6N165N165-S167 PolarHBondContact O-N 3.31Å
168G69.6Low81.2Confident38 Ų3873.9 Ų73.939%0.39238%0.38SS..EExtended strand (participates in β ladder)trans133.3-174.4-178.700000113.6N165N165-G168 PolarHBondContact N-O 2.96Å; N165-G168 PolarHBondContact O-N 3.5Å; N165-G168 VanDerWaalsContact O-O 3.11Å
169I77.6Confident81.1Confident121 Ų12171.1 Ų71.162%0.62137%0.367SS*.EExtended strand (participates in β ladder)trans-90.3115.7179-53.9176000108.5L162 V164L162-I169 HydrophobicContact CD2-CG2 4.04Å; V164-I169 HydrophobicContact CG2-CG1 4.36Å
170K77.6Confident80.7Confident108 Ų10875 Ų7547%0.4739%0.388SS..EExtended strand (participates in β ladder)trans-85.7126.2166.8-174.2-177.7172.9-1630107.9E163 E172E163-K170 HydrophobicContact CB-CB 4.37Å; E163-K170 PolarHBondContact N-O 2.94Å; E163-K170 PolarHBondContact O-N 3.49Å; K170-E172 IonicContact NZ-OE2 3.2Å
171S79.8Confident79.4Confident84 Ų8480 Ų8059%0.58741%0.409SS*.EExtended strand (participates in β ladder)trans-117131.3173.6610000109.8L161L161-S171 WeakPolarHBondContact O-CA 3.38Å
172E81.9Confident77.8Confident106 Ų10682.1 Ų82.150%0.49543%0.429SS..EExtended strand (participates in β ladder)trans-131.4135.5177-174.2167.1-18000109.1V160 L161 K170V160-E172 CarbonylContact C-O 3.57Å; V160-E172 WeakPolarHBondContact CA-O 3.06Å; L161-E172 HydrophobicContact CB-CB 4.49Å; L161-E172 PolarHBondContact N-O 3.23Å; L161-E172 PolarHBondContact O-N 3.04Å; K170-E172 IonicContact NZ-OE2 3.2Å
173K85.3Confident76.2Confident133 Ų13381.8 Ų81.858%0.57843%0.427SS*.EExtended strand (participates in β ladder)trans-95.3131.6-179.4-66178150.6-132.20109.2E158 V159E158-K173 VanDerWaalsContact OE1-CD 3.24Å; E158-K173 WeakPolarHBondContact OE1-CD 3.42Å; E158-K173 WeakPolarHBondContact OE1-CE 2.94Å; E158-K173 IonicContact OE1-NZ 3.48Å; E158-K173 PolarHBondContact OE1-NZ 3.43Å; V159-K173 WeakPolarHBondContact O-CA 3.26Å
174E87.6Confident74.3Confident94 Ų9484.3 Ų84.344%0.43945%0.448SS..EExtended strand (participates in β ladder)trans-132.6161.2177.4-174.9178-159.800109.1K25 E158 V159K25-E174 IonicContact NZ-OE1 2.81Å; K25-E174 IonicContact NZ-OE2 3.24Å; K25-E174 PolarHBondContact NZ-OE2 3.39Å; E158-E174 WeakPolarHBondContact CA-O 3.42Å; V159-E174 HydrophobicContact CG2-CB 3.79Å; V159-E174 HydrophobicContact CG2-CG 4.47Å; V159-E174 WeakPolarHBondContact CG2-O 3.36Å; V159-E174 PolarHBondContact N-O 3.38Å; V159-E174 PolarHBondContact O-N 3.17Å
175I86.6Confident73Confident109 Ų10985.6 Ų85.656%0.55946%0.462SS*.EExtended strand (participates in β ladder)trans-106.3120.4170.1-61.6176000107.5R156R156-I175 HydrophobicContact CB-CG2 3.86Å; R156-I175 HydrophobicContact CG-CG2 4.43Å
176E89.7Confident71.5Confident15 Ų1587.9 Ų87.97%0.0748%0.479CS..EExtended strand (participates in β ladder)trans-96.5133.8172.7-16468.4-172.800110.2K25 R120 L132 H136 R156 V157 V159K25-E176 VanDerWaalsContact CE-OE2 3.27Å; K25-E176 WeakPolarHBondContact CE-OE2 3.4Å; K25-E176 IonicContact NZ-OE2 2.63Å; K25-E176 PolarHBondContact NZ-OE2 3.25Å; R120-E176 VanDerWaalsContact CD-OE1 3.26Å; R120-E176 WeakPolarHBondContact CD-OE1 3.13Å; R120-E176 IonicContact CZ-OE1 3.57Å; R120-E176 IonicContact NE-OE1 3.79Å; R120-E176 PolarHBondContact NE-OE1 3.48Å; R120-E176 IonicContact NH2-OE1 3.08Å; L132-E176 HydrophobicContact CD1-CB 4.31Å; L132-E176 HydrophobicContact CD1-CG 4.04Å; L132-E176 HydrophobicContact CD2-CG 4.32Å; H136-E176 IonicContact CE1-OE1 3.35Å; H136-E176 VanDerWaalsContact NE2-CG 3.28Å; H136-E176 WeakPolarHBondContact NE2-CG 3.46Å; H136-E176 IonicContact NE2-OE1 2.81Å; H136-E176 PolarHBondContact NE2-OE1 3.38Å; R156-E176 CarbonylContact C-O 3.6Å; R156-E176 VanDerWaalsContact CA-O 3.31Å; R156-E176 WeakPolarHBondContact CA-O 3.47Å; V157-E176 HydrophobicContact CG2-CB 3.98Å; V157-E176 PolarHBondContact N-O 2.85Å; V157-E176 PolarHBondContact O-N 3Å; V159-E176 HydrophobicContact CG1-CB 3.92Å; V159-E176 HydrophobicContact CG2-CB 4.4Å
177I88.8Confident69.7Low70 Ų7084.1 Ų84.136%0.35948%0.476SS..EExtended strand (participates in β ladder)trans-98.1119.2178.6-58.4166.9000108.5H136 R156 T179H136-I177 PolarHBondContact CE1-O 3.48Å; R156-I177 HydrophobicContact CG-CG1 4.18Å; I177-T179 VanDerWaalsContact CG2-O 3.28Å; I177-T179 WeakPolarHBondContact CG2-O 3.47Å
178L89.6Confident68.4Low4 Ų482.5 Ų82.52%0.02147%0.47CS..SBendtrans-92.5-35.8179.3-67.7173.4000112.5L37 L40 L132 L135 V139 V155 V157L37-L178 HydrophobicContact CD1-CD1 3.5Å; L37-L178 VanDerWaalsContact CD1-CD1 3.5Å; L40-L178 HydrophobicContact CD2-CB 3.95Å; L40-L178 HydrophobicContact CD2-CD1 4.01Å; L132-L178 HydrophobicContact CD1-CD2 3.95Å; L135-L178 HydrophobicContact CB-CD2 3.96Å; L135-L178 HydrophobicContact CD1-CD1 3.92Å; V139-L178 WeakPolarHBondContact CG1-O 3.43Å; V155-L178 HydrophobicContact CB-CB 4.19Å; V155-L178 HydrophobicContact CG1-CB 4.17Å; V155-L178 HydrophobicContact CG1-CD1 3.93Å; V155-L178 WeakPolarHBondContact O-CB 3.31Å; V155-L178 PolarHBondContact O-N 3.08Å; V157-L178 HydrophobicContact CG1-CD1 3.84Å; V157-L178 HydrophobicContact CG2-CD1 4.11Å; V157-L178 HydrophobicContact CG2-CG 4.3Å
179T87.2Confident67.2Low0 Ų088 Ų880%049%0.489CS..SBendtrans-139.1152.7177.858.70000110.9L40 V139 L151 P152 N154 V155 I177L40-T179 HydrophobicContact CD1-CG2 4.04Å; L40-T179 HydrophobicContact CD2-CG2 4.25Å; V139-T179 HydrophobicContact CG1-CG2 4.46Å; V139-T179 HydrophobicContact CG2-CG2 4.34Å; L151-T179 HydrophobicContact CB-CG2 4.08Å; L151-T179 HydrophobicContact CD1-CG2 4.31Å; P152-T179 VanDerWaalsContact O-CB 3.29Å; P152-T179 WeakPolarHBondContact O-CB 3.32Å; P152-T179 PolarHBondContact O-OG1 3.4Å; N154-T179 PolarHBondContact N-OG1 2.93Å; V155-T179 HydrophobicContact CB-CG2 4.49Å; V155-T179 VanDerWaalsContact CB-OG1 3.29Å; V155-T179 WeakPolarHBondContact CB-OG1 3.38Å; V155-T179 HydrophobicContact CG2-CG2 4.41Å; V155-T179 VanDerWaalsContact CG2-OG1 3.26Å; V155-T179 WeakPolarHBondContact CG2-OG1 3.49Å; V155-T179 PolarHBondContact N-OG1 3.47Å; V155-T179 PolarHBondContact O-N 2.97Å; I177-T179 VanDerWaalsContact CG2-O 3.28Å; I177-T179 WeakPolarHBondContact CG2-O 3.47Å
180D80.8Confident65.5Low80 Ų8087.9 Ų87.943%0.42850%0.499SS..  trans-90170.8-173.3-61.7-61.7000111.6R143 P153 N154 S182R143-D180 IonicContact CZ-OD2 2.76Å; R143-D180 VanDerWaalsContact CZ-OD2 3.24Å; R143-D180 IonicContact NH1-OD2 2.74Å; R143-D180 PolarHBondContact NH1-OD2 3.15Å; R143-D180 IonicContact NH2-OD2 3.77Å; R143-D180 PolarHBondContact NH2-OD2 2.93Å; P153-D180 WeakPolarHBondContact CA-O 3.44Å; N154-D180 PolarHBondContact N-O 2.9Å; D180-S182 VanDerWaalsContact C-N 3.32Å; D180-S182 PolarHBondContact O-N 3.01Å
181E60.3Low63.3Low135 Ų13588 Ų8863%0.63151%0.513SS*.THydrogen-bonded Turntrans-74.3-15.1-171.3-68.7-164.3153.100114.8N154 R156N154-E181 HydrophobicContact CB-CG 4.06Å; N154-E181 PolarHBondContact ND2-OE1 2.93Å; R156-E181 IonicContact NH2-OE1 2.64Å; R156-E181 PolarHBondContact NH2-OE1 3.42Å
182S51.8Low61.7Low94 Ų9487.8 Ų87.866%0.65751%0.512SS*.THydrogen-bonded Turntrans-124.739-169.557.50000114.4D180 S184D180-S182 VanDerWaalsContact C-N 3.32Å; D180-S182 PolarHBondContact O-N 3.01Å; S182-S184 PolarHBondContact O-N 2.81Å
183D47.1Very low59.7Low46 Ų4689.8 Ų89.825%0.24653%0.526CS..  trans-79.228.4176.3-75.3-24000113.3R143R143-D183 IonicContact NH2-OD1 2.79Å; R143-D183 IonicContact NH2-OD2 3.88Å; R143-D183 PolarHBondContact NH2-OD2 3.24Å; R143-D183 VanDerWaalsContact NH2-OD2 3.08Å
184S38.1Very low57.7Low84 Ų8488.2 Ų88.259%0.58753%0.532SS*.SBendtrans-91115.4164.159.30000109.5S182 T186S182-S184 PolarHBondContact O-N 2.81Å; S184-T186 PolarHBondContact O-N 2.88Å
185A44.1Very low55.8Low63 Ų6388.1 Ų88.152%0.52153%0.532SS..SBendtrans-69.573.1178.400000112.2
186T40.1Very low54.4Low111 Ų11184.4 Ų84.468%0.68151%0.513SS*.  trans-174.2101.2151.842.70000107.1S184S184-T186 PolarHBondContact O-N 2.88Å
187D31.8Very low52.9Low151 Ų15187 Ų8781%0.80753%0.531SS*.  trans-17078.4132.5-93.2-15.5000108.2L189D187-L189 PolarHBondContact O-N 3.12Å
188A41.8Very low51.5Low87 Ų8783.7 Ų83.772%0.71951%0.514SS*.  trans-61.2124.414300000106.6
189L43.6Very low50.3Low153 Ų15387 Ų8780%0.80153%0.53SS*.SBendtrans94.5110.9166.4-50.3142.5000114.9D187D187-L189 PolarHBondContact O-N 3.12Å
190S42.2Very low49.3Very low118 Ų11892.1 Ų92.183%0.82555%0.553SS**  trans74.878.4158.562.70000119.3
191S32.6Very low48.3Very low110 Ų11089.3 Ų89.377%0.76954%0.538SS*.  -162.9117.7126.754.40000110.2D193S191-D193 PolarHBondContact O-N 3.33Å; S191-D193 VanDerWaalsContact O-N 3.1Å
192S45.1Very low48.2Very low81 Ų8185.9 Ų85.957%0.56652%0.524SS*.  trans-47.8105.3159.148.60000110.5
193D40Very low48.8Very low147 Ų14787.7 Ų87.779%0.78652%0.52SS*.  trans-168.742.7156.6-97.2-15.7000110.8S191 E195S191-D193 PolarHBondContact O-N 3.33Å; S191-D193 VanDerWaalsContact O-N 3.1Å; D193-E195 VanDerWaalsContact C-N 3.33Å; D193-E195 PolarHBondContact O-N 2.84Å
194S43.7Very low49.4Very low101 Ų10189.2 Ų89.271%0.70653%0.528SS*.  trans-71.599.7149.159.20000105.8D196S194-D196 PolarHBondContact O-N 3.44Å
195E47.1Very low50.5Low92 Ų9291.4 Ų91.443%0.4353%0.529SS..  trans-49115.6171.5-83.4-162.1162.300108.2D193 Q200 K203D193-E195 VanDerWaalsContact C-N 3.33Å; D193-E195 PolarHBondContact O-N 2.84Å; E195-Q200 HydrophobicContact CB-CG 4.41Å; E195-K203 IonicContact OE1-NZ 3.8Å; E195-K203 PolarHBondContact OE1-NZ 3.48Å; E195-K203 IonicContact OE2-NZ 2.72Å; E195-K203 PolarHBondContact OE2-NZ 2.87Å
196D57.3Low51.5Low31 Ų3193.2 Ų93.217%0.16654%0.535CS..  trans-57.6134.4-171.5-169.7-47000108.6S194 I198 E199 Q200 K307S194-D196 PolarHBondContact O-N 3.44Å; D196-I198 CarbonylContact O-C 3.45Å; D196-I198 PolarHBondContact O-N 3.38Å; D196-I198 WeakPolarHBondContact OD1-CB 3.28Å; D196-I198 PolarHBondContact OD1-N 3.49Å; D196-E199 HydrophobicContact CB-CB 4.09Å; D196-E199 HydrophobicContact CB-CG 3.94Å; D196-E199 WeakPolarHBondContact O-CA 3.22Å; D196-E199 WeakPolarHBondContact O-CB 3.24Å; D196-E199 PolarHBondContact O-N 2.97Å; D196-Q200 PolarHBondContact O-N 3.37Å; D196-K307 WeakPolarHBondContact OD2-CD 3.34Å; D196-K307 WeakPolarHBondContact OD2-CE 3.29Å; D196-K307 WeakPolarHBondContact OD2-CG 3.28Å; D196-K307 IonicContact OD2-NZ 3.1Å; D196-K307 PolarHBondContact OD2-NZ 3.03Å
197P58.2Low52.5Low69 Ų6994.8 Ų94.845%0.44853%0.534SS..Hα-helixtrans-49.7-26.9174.5-28.234.5000113.2L201 Y310P197-L201 WeakPolarHBondContact O-CB 3.46Å; P197-L201 PolarHBondContact O-N 2.95Å; P197-Y310 HydrophobicContact CB-CE1 4.28Å
198I60.1Low54.1Low1 Ų192.7 Ų92.71%0.00552%0.518CS..Hα-helixtrans-77-35.7171.3-63.3-56.2000113.2D196 Q200 L201 L202 T303 L306 K307 Y310D196-I198 CarbonylContact O-C 3.45Å; D196-I198 PolarHBondContact O-N 3.38Å; D196-I198 WeakPolarHBondContact OD1-CB 3.28Å; D196-I198 PolarHBondContact OD1-N 3.49Å; I198-Q200 VanDerWaalsContact C-N 3.28Å; I198-Q200 PolarHBondContact O-N 3.45Å; I198-L201 HydrophobicContact CD1-CB 4.47Å; I198-L201 HydrophobicContact CD1-CD2 3.7Å; I198-L201 CarbonylContact O-C 3.43Å; I198-L201 WeakPolarHBondContact O-CB 3.34Å; I198-L201 PolarHBondContact O-N 2.82Å; I198-L201 VanDerWaalsContact O-N 3.15Å; I198-L202 HydrophobicContact CG2-CD1 3.85Å; I198-L202 HydrophobicContact CG2-CG 4.04Å; I198-L202 WeakPolarHBondContact O-CB 3.41Å; I198-L202 WeakPolarHBondContact O-CG 3.39Å; I198-L202 PolarHBondContact O-N 2.61Å; I198-T303 HydrophobicContact CG2-CG2 4.41Å; I198-L306 HydrophobicContact CD1-CD2 4.39Å; I198-L306 HydrophobicContact CD1-CG 4.2Å; I198-L306 HydrophobicContact CG2-CD2 4.12Å; I198-L306 HydrophobicContact CG2-CG 4.41Å; I198-K307 HydrophobicContact CB-CG 3.59Å; I198-K307 HydrophobicContact CG1-CB 4.35Å; I198-K307 HydrophobicContact CG1-CG 3.76Å; I198-K307 HydrophobicContact CG2-CG 3.78Å; I198-Y310 HydrophobicContact CD1-CD1 3.76Å; I198-Y310 HydrophobicContact CD1-CD2 4.27Å; I198-Y310 HydrophobicContact CD1-CE1 4.46Å; I198-Y310 HydrophobicContact CD1-CG 3.65Å; I198-Y310 HydrophobicContact CG1-CD1 4.19Å; I198-Y310 HydrophobicContact CG1-CG 4.4Å
199E63.3Low55.4Low73 Ų7389.7 Ų89.734%0.34149%0.49SS..Hα-helixtrans-63.8-37.2172.2-76.1170.7-155.300111.3D196 L202 K203 K307D196-E199 HydrophobicContact CB-CB 4.09Å; D196-E199 HydrophobicContact CB-CG 3.94Å; D196-E199 WeakPolarHBondContact O-CA 3.22Å; D196-E199 WeakPolarHBondContact O-CB 3.24Å; D196-E199 PolarHBondContact O-N 2.97Å; E199-L202 PolarHBondContact O-N 3.14Å; E199-K203 VanDerWaalsContact O-CG 3.28Å; E199-K203 WeakPolarHBondContact O-CG 3.34Å; E199-K203 PolarHBondContact O-N 3.28Å; E199-K203 VanDerWaalsContact O-N 3.13Å; E199-K307 IonicContact OE1-NZ 2.86Å; E199-K307 PolarHBondContact OE1-NZ 2.81Å
200Q65.7Low57Low107 Ų10786.7 Ų86.750%0.548%0.475SS..Hα-helixtrans-66.9-39.5169.8-65.2-175.5-0.600112.3E195 D196 I198 L202 K203E195-Q200 HydrophobicContact CB-CG 4.41Å; D196-Q200 PolarHBondContact O-N 3.37Å; I198-Q200 VanDerWaalsContact C-N 3.28Å; I198-Q200 PolarHBondContact O-N 3.45Å; Q200-L202 VanDerWaalsContact C-N 3.33Å; Q200-L202 PolarHBondContact O-N 3.49Å; Q200-K203 PolarHBondContact O-N 3.13Å
201L60.2Low58.7Low21 Ų2185 Ų8511%0.1146%0.459CS..Hα-helixtrans-63.4-38174.2-179.662.8000112.2P197 I198 K203 L204 I209 V212 L306P197-L201 WeakPolarHBondContact O-CB 3.46Å; P197-L201 PolarHBondContact O-N 2.95Å; I198-L201 HydrophobicContact CD1-CB 4.47Å; I198-L201 HydrophobicContact CD1-CD2 3.7Å; I198-L201 CarbonylContact O-C 3.43Å; I198-L201 WeakPolarHBondContact O-CB 3.34Å; I198-L201 PolarHBondContact O-N 2.82Å; I198-L201 VanDerWaalsContact O-N 3.15Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 3.5Å; L201-L204 HydrophobicContact CD1-CD1 3.85Å; L201-L204 VanDerWaalsContact O-CB 3.29Å; L201-L204 WeakPolarHBondContact O-CB 3.48Å; L201-L204 PolarHBondContact O-N 3Å; L201-L204 VanDerWaalsContact O-N 3.13Å; L201-I209 WeakPolarHBondContact O-CG1 3.34Å; L201-V212 HydrophobicContact CD1-CB 4.43Å; L201-V212 HydrophobicContact CD1-CG2 3.8Å; L201-V212 HydrophobicContact CD2-CB 3.97Å; L201-V212 HydrophobicContact CD2-CG1 3.67Å; L201-V212 HydrophobicContact CD2-CG2 4.11Å; L201-L306 HydrophobicContact CD2-CD2 4.39Å
202L58.7Low60.8Low63 Ų6381.5 Ų81.533%0.3343%0.433SS..Hα-helixtrans-72.5-21.3178.3-72171.1000112.4I198 E199 Q200 L204 I209 T303I198-L202 HydrophobicContact CG2-CD1 3.85Å; I198-L202 HydrophobicContact CG2-CG 4.04Å; I198-L202 WeakPolarHBondContact O-CB 3.41Å; I198-L202 WeakPolarHBondContact O-CG 3.39Å; I198-L202 PolarHBondContact O-N 2.61Å; E199-L202 PolarHBondContact O-N 3.14Å; Q200-L202 VanDerWaalsContact C-N 3.33Å; Q200-L202 PolarHBondContact O-N 3.49Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L202-I209 HydrophobicContact CD2-CD1 4.34Å; L202-T303 HydrophobicContact CD1-CG2 3.43Å; L202-T303 VanDerWaalsContact CD1-CG2 3.43Å; L202-T303 WeakPolarHBondContact CD1-OG1 3.35Å
203K63.2Low62.6Low133 Ų13379.9 Ų79.958%0.57842%0.416SS*.THydrogen-bonded Turntrans-77.3-11.1168.9-68.9170.1-171.5-177.80113.2E195 E199 Q200 L201E195-K203 IonicContact OE1-NZ 3.8Å; E195-K203 PolarHBondContact OE1-NZ 3.48Å; E195-K203 IonicContact OE2-NZ 2.72Å; E195-K203 PolarHBondContact OE2-NZ 2.87Å; E199-K203 VanDerWaalsContact O-CG 3.28Å; E199-K203 WeakPolarHBondContact O-CG 3.34Å; E199-K203 PolarHBondContact O-N 3.28Å; E199-K203 VanDerWaalsContact O-N 3.13Å; Q200-K203 PolarHBondContact O-N 3.13Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 3.5Å
204L60Low64.6Low77 Ų7781.9 Ų81.940%0.40341%0.413SS..SBendtrans-78.6164.2176.7-59.8-177000112.5L201 L202 K208L201-L204 HydrophobicContact CD1-CD1 3.85Å; L201-L204 VanDerWaalsContact O-CB 3.29Å; L201-L204 WeakPolarHBondContact O-CB 3.48Å; L201-L204 PolarHBondContact O-N 3Å; L201-L204 VanDerWaalsContact O-N 3.13Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L204-K208 HydrophobicContact CB-CB 4.27Å; L204-K208 HydrophobicContact CB-CD 4.27Å; L204-K208 HydrophobicContact CD1-CB 4.38Å; L204-K208 HydrophobicContact CD1-CD 4.09Å
205E60.9Low66.6Low131 Ų13179.2 Ų79.261%0.61240%0.397SS*.  trans-54.1141.5175.9-64.3176159.500112.5H207 K208E205-H207 PolarHBondContact O-N 3.42Å; E205-K208 PolarHBondContact O-N 3.13Å
206P65.3Low68.4Low100 Ų10074.9 Ų74.965%0.64938%0.376SS*.Hα-helixtrans-52.5-30.3-175.4-27.632.8000114.9N210P206-N210 PolarHBondContact O-N 3.12Å; P206-N210 PolarHBondContact O-ND2 3.2Å
207H62Low69.9Low144 Ų14475.3 Ų75.367%0.66738%0.378SS*.Hα-helixtrans-66-37.3177.5-171.2-66.7000112.5E205 N210 T211E205-H207 PolarHBondContact O-N 3.42Å; H207-N210 PolarHBondContact O-N 3.37Å; H207-T211 PolarHBondContact O-N 3.21Å; H207-T211 PolarHBondContact O-OG1 3.44Å
208K64.9Low71.3Confident107 Ų10778.4 Ų78.447%0.46539%0.386SS..Hα-helixtrans-70.7-38.4179.7-66.7-177.8-178.9175.30111.5L204 E205 N210 T211 V212L204-K208 HydrophobicContact CB-CB 4.27Å; L204-K208 HydrophobicContact CB-CD 4.27Å; L204-K208 HydrophobicContact CD1-CB 4.38Å; L204-K208 HydrophobicContact CD1-CD 4.09Å; E205-K208 PolarHBondContact O-N 3.13Å; K208-N210 VanDerWaalsContact C-N 3.32Å; K208-N210 PolarHBondContact O-N 3.21Å; K208-T211 WeakPolarHBondContact O-CB 3.29Å; K208-T211 PolarHBondContact O-N 3.1Å; K208-V212 PolarHBondContact O-N 3.2Å; K208-V212 VanDerWaalsContact O-N 3.12Å
209I69.1Low72.7Confident24 Ų2479.1 Ų79.112%0.12339%0.389CS..Hα-helixtrans-60.1-44.2174.4-62.2168.3000110.3L201 L202 T211 V212 K213L201-I209 WeakPolarHBondContact O-CG1 3.34Å; L202-I209 HydrophobicContact CD2-CD1 4.34Å; I209-T211 VanDerWaalsContact C-N 3.31Å; I209-T211 PolarHBondContact O-N 3.45Å; I209-V212 PolarHBondContact O-N 3.36Å; I209-K213 HydrophobicContact CG2-CD 4.33Å; I209-K213 HydrophobicContact CG2-CG 4.37Å; I209-K213 WeakPolarHBondContact O-CG 3.36Å; I209-K213 PolarHBondContact O-N 3.43Å
210N77.1Confident74Confident91 Ų9175.7 Ų75.749%0.48737%0.373SS..Hα-helixtrans-64.6-32.9177.9-74.4-25.2000113.2P206 H207 K208 R214P206-N210 PolarHBondContact O-N 3.12Å; P206-N210 PolarHBondContact O-ND2 3.2Å; H207-N210 PolarHBondContact O-N 3.37Å; K208-N210 VanDerWaalsContact C-N 3.32Å; K208-N210 PolarHBondContact O-N 3.21Å; N210-R214 WeakPolarHBondContact O-CB 3.42Å; N210-R214 PolarHBondContact O-N 3.38Å; N210-R214 VanDerWaalsContact O-N 3.1Å
211T77.6Confident75.1Confident81 Ų8172.3 Ų72.350%0.49736%0.358SS..Hα-helixtrans-66.2-44173.4-54.90000111.3H207 K208 I209 R214 A215H207-T211 PolarHBondContact O-N 3.21Å; H207-T211 PolarHBondContact O-OG1 3.44Å; K208-T211 WeakPolarHBondContact O-CB 3.29Å; K208-T211 PolarHBondContact O-N 3.1Å; I209-T211 VanDerWaalsContact C-N 3.31Å; I209-T211 PolarHBondContact O-N 3.45Å; T211-R214 PolarHBondContact O-N 3.23Å; T211-A215 PolarHBondContact O-N 3.34Å
212V77.7Confident76.5Confident38 Ų3877.9 Ų77.923%0.2338%0.382CS..Hα-helixtrans-67.9-46178.3177.90000111.6L201 K208 I209 R214 A215 I216L201-V212 HydrophobicContact CD1-CB 4.43Å; L201-V212 HydrophobicContact CD1-CG2 3.8Å; L201-V212 HydrophobicContact CD2-CB 3.97Å; L201-V212 HydrophobicContact CD2-CG1 3.67Å; L201-V212 HydrophobicContact CD2-CG2 4.11Å; K208-V212 PolarHBondContact O-N 3.2Å; K208-V212 VanDerWaalsContact O-N 3.12Å; I209-V212 PolarHBondContact O-N 3.36Å; V212-R214 PolarHBondContact O-N 3.2Å; V212-A215 PolarHBondContact O-N 3.35Å; V212-I216 HydrophobicContact CG1-CD1 3.73Å; V212-I216 HydrophobicContact CG1-CG1 4.26Å; V212-I216 WeakPolarHBondContact O-CG1 3.37Å; V212-I216 PolarHBondContact O-N 3.41Å
213K82.5Confident77.9Confident46 Ų4677 Ų7720%0.238%0.375CS..Hα-helixtrans-52.6-43.6173.5-77.1-172.5172.7-171.60111.3I209 M217 E235 L306I209-K213 HydrophobicContact CG2-CD 4.33Å; I209-K213 HydrophobicContact CG2-CG 4.37Å; I209-K213 WeakPolarHBondContact O-CG 3.36Å; I209-K213 PolarHBondContact O-N 3.43Å; K213-M217 VanDerWaalsContact O-CB 3.26Å; K213-M217 WeakPolarHBondContact O-CB 3.49Å; K213-M217 PolarHBondContact O-N 3.21Å; K213-E235 IonicContact NZ-OE1 2.75Å; K213-E235 PolarHBondContact NZ-OE1 2.91Å; K213-L306 HydrophobicContact CG-CD1 4.25Å
214R83.1Confident79Confident190 Ų19070.7 Ų70.772%0.71735%0.348SS*.Hα-helixtrans-65.8-40.6177.7-167.2178.9-53.1-154.91112.9N210 T211 V212 M217 H218N210-R214 WeakPolarHBondContact O-CB 3.42Å; N210-R214 PolarHBondContact O-N 3.38Å; N210-R214 VanDerWaalsContact O-N 3.1Å; T211-R214 PolarHBondContact O-N 3.23Å; V212-R214 PolarHBondContact O-N 3.2Å; R214-M217 PolarHBondContact O-N 2.96Å; R214-H218 WeakPolarHBondContact O-CB 3.31Å; R214-H218 PolarHBondContact O-N 3.42Å
215A83.8Confident80.3Confident45 Ų4570.6 Ų70.637%0.37235%0.354SS..Hα-helixtrans-65.3-44.6177.600000111.9T211 V212 H218 F219T211-A215 PolarHBondContact O-N 3.34Å; V212-A215 PolarHBondContact O-N 3.35Å; A215-H218 PolarHBondContact O-N 2.94Å; A215-F219 PolarHBondContact O-N 3.46Å
216I86.9Confident81.3Confident0 Ų068.8 Ų68.80%035%0.352CS..Hα-helixtrans-64.2-45.3176-65170.2000110.1V212 H218 F219 V220 M234 L306 L309 Y310 F313V212-I216 HydrophobicContact CG1-CD1 3.73Å; V212-I216 HydrophobicContact CG1-CG1 4.26Å; V212-I216 WeakPolarHBondContact O-CG1 3.37Å; V212-I216 PolarHBondContact O-N 3.41Å; I216-H218 VanDerWaalsContact C-N 3.31Å; I216-H218 PolarHBondContact O-N 3.26Å; I216-F219 WeakPolarHBondContact O-CB 3.28Å; I216-F219 PolarHBondContact O-N 2.89Å; I216-F219 VanDerWaalsContact O-N 3.12Å; I216-V220 HydrophobicContact CG2-CG2 4.29Å; I216-V220 WeakPolarHBondContact O-CG2 3.28Å; I216-V220 PolarHBondContact O-N 3.48Å; I216-M234 HydrophobicContact CB-CE 4.02Å; I216-M234 HydrophobicContact CG2-CE 3.6Å; I216-L306 HydrophobicContact CD1-CD1 3.54Å; I216-L309 HydrophobicContact CG2-CB 3.7Å; I216-L309 HydrophobicContact CG2-CD1 4.41Å; I216-Y310 HydrophobicContact CD1-CD2 4.1Å; I216-F313 HydrophobicContact CG1-CB 4.39Å; I216-F313 HydrophobicContact CG1-CG 4.35Å
217M87.9Confident82.2Confident40 Ų4067.8 Ų67.820%0.19734%0.34CS..Hα-helixtrans-58.5-43.2176.8-170.67283.600112K213 R214 N221 V231 M234K213-M217 VanDerWaalsContact O-CB 3.26Å; K213-M217 WeakPolarHBondContact O-CB 3.49Å; K213-M217 PolarHBondContact O-N 3.21Å; R214-M217 PolarHBondContact O-N 2.96Å; M217-N221 WeakPolarHBondContact O-CB 3.41Å; M217-N221 PolarHBondContact O-N 3.48Å; M217-N221 PolarHBondContact O-ND2 3.37Å; M217-V231 HydrophobicContact SD-CB 4.06Å; M217-V231 HydrophobicContact SD-CG1 3.76Å; M217-M234 HydrophobicContact CB-CE 4.02Å; M217-M234 HydrophobicContact CE-CB 3.41Å; M217-M234 VanDerWaalsContact CE-CB 3.41Å; M217-M234 HydrophobicContact CE-CE 4.12Å; M217-M234 HydrophobicContact SD-CB 4.22Å; M217-M234 HydrophobicContact SD-CE 4.13Å
218H86.8Confident83.3Confident134 Ų13464.2 Ų64.262%0.6234%0.342SS*.Hα-helixtrans-64-41.8175.9179.8-85.9000111.7R214 A215 I216 K222R214-H218 WeakPolarHBondContact O-CB 3.31Å; R214-H218 PolarHBondContact O-N 3.42Å; A215-H218 PolarHBondContact O-N 2.94Å; I216-H218 VanDerWaalsContact C-N 3.31Å; I216-H218 PolarHBondContact O-N 3.26Å; H218-K222 VanDerWaalsContact O-CB 3.31Å; H218-K222 WeakPolarHBondContact O-CB 3.26Å; H218-K222 PolarHBondContact O-N 2.96Å
219F90.4Very high84.4Confident17 Ų1762.2 Ų62.28%0.07534%0.337CS..Hα-helixtrans-61.6-49.8175.5165.1-97.1000112.4A215 I216 N221 K222 K223 L251 F313 H316A215-F219 PolarHBondContact O-N 3.46Å; I216-F219 WeakPolarHBondContact O-CB 3.28Å; I216-F219 PolarHBondContact O-N 2.89Å; I216-F219 VanDerWaalsContact O-N 3.12Å; F219-N221 PolarHBondContact O-N 2.95Å; F219-K222 WeakPolarHBondContact O-CB 3.29Å; F219-K222 PolarHBondContact O-N 3.14Å; F219-K223 HydrophobicContact CD2-CG 4.33Å; F219-K223 HydrophobicContact CE2-CG 4.01Å; F219-K223 HydrophobicContact CZ-CG 4.16Å; F219-K223 WeakPolarHBondContact O-CG 3.29Å; F219-K223 PolarHBondContact O-N 3.18Å; F219-L251 HydrophobicContact CE1-CD1 4.3Å; F219-L251 HydrophobicContact CE1-CD2 4.34Å; F219-L251 HydrophobicContact CE2-CD2 4.34Å; F219-L251 HydrophobicContact CZ-CD1 4.2Å; F219-L251 HydrophobicContact CZ-CD2 3.6Å; F219-F313 HydrophobicContact CB-CD2 3.62Å; F219-F313 HydrophobicContact CB-CE2 3.92Å; F219-F313 HydrophobicContact CD1-CB 4.22Å; F219-F313 AromaticContact CD1-CD2 3.9Å; F219-F313 HydrophobicContact CD1-CD2 3.9Å; F219-F313 AromaticContact CD2-CD2 3.85Å; F219-F313 HydrophobicContact CD2-CD2 3.85Å; F219-F313 HydrophobicContact CD2-CE2 4.31Å; F219-F313 HydrophobicContact CE1-CB 4.31Å; F219-F313 HydrophobicContact CE2-CD2 4.46Å; F219-F313 AromaticContact CG-CD2 3.52Å; F219-F313 HydrophobicContact CG-CD2 3.52Å; F219-F313 HydrophobicContact CG-CE2 4.18Å; F219-H316 HydrophobicContact CE2-CB 4.16Å; F219-H316 HydrophobicContact CZ-CB 3.89Å
220V89.8Confident85.2Confident1 Ų167.9 Ų67.91%0.00636%0.363CS..Hα-helixtrans-56.8-52.6177.5169.90000109.6I216 K222 K223 M224 V231 F238 L247 L309I216-V220 HydrophobicContact CG2-CG2 4.29Å; I216-V220 WeakPolarHBondContact O-CG2 3.28Å; I216-V220 PolarHBondContact O-N 3.48Å; V220-K222 VanDerWaalsContact C-N 3.31Å; V220-K222 PolarHBondContact O-N 3.36Å; V220-K223 PolarHBondContact O-N 3.32Å; V220-K223 VanDerWaalsContact O-N 3.1Å; V220-M224 HydrophobicContact CG1-CG 3.97Å; V220-M224 WeakPolarHBondContact O-CB 3.32Å; V220-M224 VanDerWaalsContact O-CG 3.24Å; V220-M224 WeakPolarHBondContact O-CG 3.14Å; V220-M224 PolarHBondContact O-N 3.44Å; V220-V231 HydrophobicContact CG1-CB 4.37Å; V220-V231 HydrophobicContact CG1-CG2 3.82Å; V220-F238 HydrophobicContact CG1-CZ 3.94Å; V220-F238 HydrophobicContact CG2-CZ 4.32Å; V220-L247 HydrophobicContact CG1-CD2 4.43Å; V220-L247 HydrophobicContact CG2-CD2 4.01Å; V220-L309 HydrophobicContact CG2-CD2 4.4Å
221N90.3Very high85.8Confident35 Ų3563.7 Ų63.719%0.18734%0.34CS..Hα-helixtrans-61.8-37.1-179.5-81-42.7000112.9M217 F219 K223 S225 Q230 V231M217-N221 WeakPolarHBondContact O-CB 3.41Å; M217-N221 PolarHBondContact O-N 3.48Å; M217-N221 PolarHBondContact O-ND2 3.37Å; F219-N221 PolarHBondContact O-N 2.95Å; N221-K223 PolarHBondContact O-N 3.16Å; N221-S225 WeakPolarHBondContact O-CB 3.43Å; N221-S225 PolarHBondContact O-N 3.34Å; N221-Q230 WeakPolarHBondContact OD1-CA 3.22Å; N221-Q230 WeakPolarHBondContact OD1-CG 3.46Å; N221-V231 PolarHBondContact ND2-O 3.46Å; N221-V231 PolarHBondContact OD1-N 3Å; N221-V231 PolarHBondContact OD1-O 3.33Å
222K88.8Confident86.2Confident138 Ų13864.9 Ų64.960%0.635%0.348SS*.Hα-helixtrans-60.4-45.5174.1-177.9179.9177.9-175.60111.2H218 F219 V220 S225H218-K222 VanDerWaalsContact O-CB 3.31Å; H218-K222 WeakPolarHBondContact O-CB 3.26Å; H218-K222 PolarHBondContact O-N 2.96Å; F219-K222 WeakPolarHBondContact O-CB 3.29Å; F219-K222 PolarHBondContact O-N 3.14Å; V220-K222 VanDerWaalsContact C-N 3.31Å; V220-K222 PolarHBondContact O-N 3.36Å; K222-S225 PolarHBondContact O-OG 2.91Å
223K87Confident86.5Confident45 Ų4565.5 Ų65.520%0.19635%0.349CS..Hα-helixtrans-75.1-34-178.1-63.9-69.7-175.41770112.4F219 V220 N221 T226 L247 Q250 L251 R319F219-K223 HydrophobicContact CD2-CG 4.33Å; F219-K223 HydrophobicContact CE2-CG 4.01Å; F219-K223 HydrophobicContact CZ-CG 4.16Å; F219-K223 WeakPolarHBondContact O-CG 3.29Å; F219-K223 PolarHBondContact O-N 3.18Å; V220-K223 PolarHBondContact O-N 3.32Å; V220-K223 VanDerWaalsContact O-N 3.1Å; N221-K223 PolarHBondContact O-N 3.16Å; K223-T226 PolarHBondContact O-OG1 3.03Å; K223-L247 HydrophobicContact CB-CD1 4.21Å; K223-Q250 WeakPolarHBondContact O-CG 3.43Å; K223-L251 HydrophobicContact CB-CD2 4.34Å; K223-L251 HydrophobicContact CD-CD2 3.9Å; K223-L251 HydrophobicContact CG-CD2 3.81Å; K223-R319 PolarHBondContact NZ-OXT 3.27Å
224M87.8Confident86.4Confident0 Ų063.9 Ų63.90%034%0.343CS..Hα-helixtrans-81.6-14.6179.4-64.8-58.3-80.300113.9V220 T226 L227 G228 L229 I243 L246 L247V220-M224 HydrophobicContact CG1-CG 3.97Å; V220-M224 WeakPolarHBondContact O-CB 3.32Å; V220-M224 VanDerWaalsContact O-CG 3.24Å; V220-M224 WeakPolarHBondContact O-CG 3.14Å; V220-M224 PolarHBondContact O-N 3.44Å; M224-T226 PolarHBondContact O-N 3.34Å; M224-T226 VanDerWaalsContact O-N 3.16Å; M224-L227 HydrophobicContact CE-CD1 4.05Å; M224-L227 PolarHBondContact O-N 2.6Å; M224-L227 HydrophobicContact SD-CD1 4.16Å; M224-G228 PolarHBondContact O-N 2.92Å; M224-L229 CarbonylContact C-O 3.53Å; M224-L229 HydrophobicContact CB-CB 4.26Å; M224-L229 HydrophobicContact CE-CB 4.23Å; M224-L229 HydrophobicContact CE-CD1 3.55Å; M224-L229 PolarHBondContact O-N 2.9Å; M224-I243 HydrophobicContact CE-CG2 4.09Å; M224-L246 HydrophobicContact CE-CB 3.8Å; M224-L247 HydrophobicContact CG-CD1 4.12Å; M224-L247 HydrophobicContact SD-CB 3.91Å; M224-L247 HydrophobicContact SD-CD1 3.95Å
225S87.1Confident86.2Confident75 Ų7558.7 Ų58.752%0.52433%0.327SS..G310 helixtrans-56.1-31177.467.70000113.7N221 K222 L227 G228N221-S225 WeakPolarHBondContact O-CB 3.43Å; N221-S225 PolarHBondContact O-N 3.34Å; K222-S225 PolarHBondContact O-OG 2.91Å; S225-L227 PolarHBondContact O-N 3.36Å; S225-G228 PolarHBondContact O-N 3.29Å; S225-G228 VanDerWaalsContact O-N 3.09Å
226T82.3Confident86.3Confident93 Ų9362.1 Ų62.157%0.57133%0.333SS*.G310 helixtrans-65.7-25.8176.852.10000113K223 M224 Q250K223-T226 PolarHBondContact O-OG1 3.03Å; M224-T226 PolarHBondContact O-N 3.34Å; M224-T226 VanDerWaalsContact O-N 3.16Å; T226-Q250 VanDerWaalsContact OG1-CD 3.27Å; T226-Q250 PolarHBondContact OG1-NE2 3.46Å
227L83.8Confident86.5Confident79 Ų7964.7 Ų64.741%0.41435%0.345SS..G310 helixtrans-93.91.6176.4-59.9176.4000112.3M224 S225 L229 L246 Q250M224-L227 HydrophobicContact CE-CD1 4.05Å; M224-L227 PolarHBondContact O-N 2.6Å; M224-L227 HydrophobicContact SD-CD1 4.16Å; S225-L227 PolarHBondContact O-N 3.36Å; L227-L229 HydrophobicContact CB-CD1 4.18Å; L227-L229 HydrophobicContact CB-CG 4.26Å; L227-L229 PolarHBondContact O-N 3.37Å; L227-L246 HydrophobicContact CD1-CB 4.13Å; L227-Q250 HydrophobicContact CD1-CB 4.49Å
228G85.4Confident86.7Confident69 Ų6962.9 Ų62.971%0.71134%0.336SS*.THydrogen-bonded Turntrans68.918.4-175.300000113.8M224 S225M224-G228 PolarHBondContact O-N 2.92Å; S225-G228 PolarHBondContact O-N 3.29Å; S225-G228 VanDerWaalsContact O-N 3.09Å
229L87.1Confident87Confident65 Ų6557 Ų5734%0.3431%0.311SS..  trans-101.2142.1-178.5-67.1173.9000111.1M224 L227 L246M224-L229 CarbonylContact C-O 3.53Å; M224-L229 HydrophobicContact CB-CB 4.26Å; M224-L229 HydrophobicContact CE-CB 4.23Å; M224-L229 HydrophobicContact CE-CD1 3.55Å; M224-L229 PolarHBondContact O-N 2.9Å; L227-L229 HydrophobicContact CB-CD1 4.18Å; L227-L229 HydrophobicContact CB-CG 4.26Å; L227-L229 PolarHBondContact O-N 3.37Å; L229-L246 HydrophobicContact CD1-CD1 3.69Å
230Q87.2Confident87Confident144 Ų14458.6 Ų58.667%0.67332%0.32SS*.  trans-132127174.4-170.8178.45.400110.2N221N221-Q230 WeakPolarHBondContact OD1-CA 3.22Å; N221-Q230 WeakPolarHBondContact OD1-CG 3.46Å
231V88.7Confident87.2Confident2 Ų258.6 Ų58.61%0.01232%0.319CS..  trans-94.5120.1173.2-174.30000108.4M217 V220 N221 Q237 F238 I243M217-V231 HydrophobicContact SD-CB 4.06Å; M217-V231 HydrophobicContact SD-CG1 3.76Å; V220-V231 HydrophobicContact CG1-CB 4.37Å; V220-V231 HydrophobicContact CG1-CG2 3.82Å; N221-V231 PolarHBondContact ND2-O 3.46Å; N221-V231 PolarHBondContact OD1-N 3Å; N221-V231 PolarHBondContact OD1-O 3.33Å; V231-Q237 HydrophobicContact CG1-CB 4.3Å; V231-F238 HydrophobicContact CG1-CE2 3.91Å; V231-F238 HydrophobicContact CG2-CZ 4.43Å; V231-I243 HydrophobicContact CG2-CD1 4.12Å; V231-I243 HydrophobicContact CG2-CG2 3.88Å
232T85.6Confident87.4Confident107 Ų10757.6 Ų57.666%0.65632%0.315SS*.SBendtrans-106.3-28.2176.554.90000112Q237T232-Q237 PolarHBondContact OG1-OE1 2.83Å
233D83.6Confident87.6Confident50 Ų5052 Ų5227%0.26729%0.291SS..  trans-131.599.9179.5-172.5-10.2000110.6E235 K236 Q237D233-E235 PolarHBondContact O-N 3.4Å; D233-E235 PolarHBondContact OD1-N 3.01Å; D233-K236 PolarHBondContact O-N 2.99Å; D233-K236 VanDerWaalsContact OD2-CD 3.3Å; D233-K236 WeakPolarHBondContact OD2-CD 3.45Å; D233-K236 WeakPolarHBondContact OD2-CG 3.42Å; D233-K236 IonicContact OD2-NZ 2.84Å; D233-Q237 HydrophobicContact CB-CG 4.45Å; D233-Q237 VanDerWaalsContact O-CB 3.26Å; D233-Q237 WeakPolarHBondContact O-CB 3.5Å; D233-Q237 VanDerWaalsContact O-CG 3.24Å; D233-Q237 WeakPolarHBondContact O-CG 3.28Å; D233-Q237 PolarHBondContact O-N 3.43Å; D233-Q237 PolarHBondContact O-OE1 3.4Å
234M82.1Confident87.9Confident13 Ų1350 Ų506%0.06428%0.283CS..THydrogen-bonded Turntrans-69.3-23.1-179.6173.9-174.5-63.600112.2I216 M217 K236 F238 T305 L306 L309I216-M234 HydrophobicContact CB-CE 4.02Å; I216-M234 HydrophobicContact CG2-CE 3.6Å; M217-M234 HydrophobicContact CB-CE 4.02Å; M217-M234 HydrophobicContact CE-CB 3.41Å; M217-M234 VanDerWaalsContact CE-CB 3.41Å; M217-M234 HydrophobicContact CE-CE 4.12Å; M217-M234 HydrophobicContact SD-CB 4.22Å; M217-M234 HydrophobicContact SD-CE 4.13Å; M234-K236 VanDerWaalsContact C-N 3.31Å; M234-F238 HydrophobicContact CB-CD2 4.5Å; M234-F238 HydrophobicContact CB-CE2 4.28Å; M234-F238 HydrophobicContact CG-CD2 4.12Å; M234-F238 HydrophobicContact CG-CE2 3.95Å; M234-F238 WeakPolarHBondContact O-CD2 3.49Å; M234-T305 HydrophobicContact CG-CG2 4.41Å; M234-L306 HydrophobicContact SD-CD1 4.23Å; M234-L309 HydrophobicContact CE-CD1 4Å; M234-L309 HydrophobicContact CG-CD1 3.55Å; M234-L309 HydrophobicContact SD-CD1 3.69Å
235E77.7Confident88.2Confident81 Ų8150 Ų5038%0.37928%0.283SS..THydrogen-bonded Turntrans-79.6-21.9-175.1-58.6-178.2174.700110.9K213 D233 Q300 V302K213-E235 IonicContact NZ-OE1 2.75Å; K213-E235 PolarHBondContact NZ-OE1 2.91Å; D233-E235 PolarHBondContact O-N 3.4Å; D233-E235 PolarHBondContact OD1-N 3.01Å; E235-Q300 WeakPolarHBondContact O-CB 3.32Å; E235-V302 HydrophobicContact CB-CG2 4.23Å; E235-V302 HydrophobicContact CG-CG1 4.29Å; E235-V302 HydrophobicContact CG-CG2 3.85Å
236K85.6Confident88.4Confident117 Ų11748.4 Ų48.451%0.50927%0.268SS..THydrogen-bonded Turntrans-112.4-41.9-177.9-61.8-175.8-171.8167.40114D233 M234 F238 S239D233-K236 PolarHBondContact O-N 2.99Å; D233-K236 VanDerWaalsContact OD2-CD 3.3Å; D233-K236 WeakPolarHBondContact OD2-CD 3.45Å; D233-K236 WeakPolarHBondContact OD2-CG 3.42Å; D233-K236 IonicContact OD2-NZ 2.84Å; M234-K236 VanDerWaalsContact C-N 3.31Å; K236-F238 PolarHBondContact O-N 3.37Å; K236-F238 VanDerWaalsContact O-N 3.14Å; K236-S239 WeakPolarHBondContact O-CB 3.3Å; K236-S239 PolarHBondContact O-N 2.93Å; K236-S239 VanDerWaalsContact O-N 3.15Å; K236-S239 PolarHBondContact O-OG 2.67Å
237Q91.4Very high88.9Confident53 Ų5344 Ų4425%0.24824%0.241CC..THydrogen-bonded Turntrans-75.3-4.5-167.2-63.2-176.6-9100114.4V231 T232 D233 I243V231-Q237 HydrophobicContact CG1-CB 4.3Å; T232-Q237 PolarHBondContact OG1-OE1 2.83Å; D233-Q237 HydrophobicContact CB-CG 4.45Å; D233-Q237 VanDerWaalsContact O-CB 3.26Å; D233-Q237 WeakPolarHBondContact O-CB 3.5Å; D233-Q237 VanDerWaalsContact O-CG 3.24Å; D233-Q237 WeakPolarHBondContact O-CG 3.28Å; D233-Q237 PolarHBondContact O-N 3.43Å; D233-Q237 PolarHBondContact O-OE1 3.4Å; Q237-I243 HydrophobicContact CB-CD1 3.8Å; Q237-I243 VanDerWaalsContact O-CD1 3.27Å; Q237-I243 WeakPolarHBondContact O-CD1 3.44Å; Q237-I243 WeakPolarHBondContact O-CG1 3.28Å
238F92.8Very high89.3Confident3 Ų340.2 Ų40.21%0.01322%0.221CC..THydrogen-bonded Turntrans-98.7-12.8172.7-71.9-84.2000113.7V220 V231 M234 K236 D240 G241 I243 L244 L247 T305 L309V220-F238 HydrophobicContact CG1-CZ 3.94Å; V220-F238 HydrophobicContact CG2-CZ 4.32Å; V231-F238 HydrophobicContact CG1-CE2 3.91Å; V231-F238 HydrophobicContact CG2-CZ 4.43Å; M234-F238 HydrophobicContact CB-CD2 4.5Å; M234-F238 HydrophobicContact CB-CE2 4.28Å; M234-F238 HydrophobicContact CG-CD2 4.12Å; M234-F238 HydrophobicContact CG-CE2 3.95Å; M234-F238 WeakPolarHBondContact O-CD2 3.49Å; K236-F238 PolarHBondContact O-N 3.37Å; K236-F238 VanDerWaalsContact O-N 3.14Å; F238-D240 PolarHBondContact O-N 2.91Å; F238-G241 PolarHBondContact O-N 3.3Å; F238-I243 HydrophobicContact CD1-CB 4.28Å; F238-I243 HydrophobicContact CD1-CG2 4.08Å; F238-I243 HydrophobicContact CE1-CB 4.29Å; F238-I243 HydrophobicContact CE1-CG2 3.6Å; F238-I243 HydrophobicContact CZ-CG2 4.01Å; F238-L244 HydrophobicContact CD1-CB 4.1Å; F238-L244 HydrophobicContact CD1-CD1 4.46Å; F238-L247 HydrophobicContact CE1-CD2 4.25Å; F238-T305 HydrophobicContact CB-CG2 3.93Å; F238-T305 HydrophobicContact CD2-CG2 4.22Å; F238-T305 HydrophobicContact CG-CG2 4.21Å; F238-L309 HydrophobicContact CD1-CD2 4.07Å; F238-L309 HydrophobicContact CD2-CD1 3.97Å; F238-L309 HydrophobicContact CE1-CD1 4.26Å; F238-L309 HydrophobicContact CE1-CD2 3.5Å; F238-L309 VanDerWaalsContact CE1-CD2 3.5Å; F238-L309 HydrophobicContact CE1-CG 4.45Å; F238-L309 HydrophobicContact CE2-CD1 3.58Å; F238-L309 HydrophobicContact CE2-CD2 4.32Å; F238-L309 HydrophobicContact CG-CD1 4.44Å; F238-L309 HydrophobicContact CZ-CD1 3.72Å; F238-L309 HydrophobicContact CZ-CD2 3.62Å; F238-L309 HydrophobicContact CZ-CG 4.32Å
239S92.2Very high89.5Confident11 Ų1137.1 Ų37.18%0.07719%0.189CC..THydrogen-bonded Turntrans-65.8-22.3-172.4610000114K236 M271 I297K236-S239 WeakPolarHBondContact O-CB 3.3Å; K236-S239 PolarHBondContact O-N 2.93Å; K236-S239 VanDerWaalsContact O-N 3.15Å; K236-S239 PolarHBondContact O-OG 2.67Å; S239-M271 WeakPolarHBondContact O-CE 3.24Å; S239-I297 WeakPolarHBondContact CA-O 3.49Å; S239-I297 WeakPolarHBondContact CB-O 3.12Å
240D91.9Very high89.6Confident50 Ų5037.5 Ų37.527%0.26719%0.189SC..THydrogen-bonded Turntrans-88.3-3.417870.58.6000114F238 V242 P265 M271 N274F238-D240 PolarHBondContact O-N 2.91Å; D240-V242 PolarHBondContact O-N 3.03Å; D240-V242 VanDerWaalsContact O-N 3.12Å; D240-V242 PolarHBondContact OD1-N 3.49Å; D240-P265 HydrophobicContact CB-CG 3.7Å; D240-M271 HydrophobicContact CB-CE 4.1Å; D240-M271 HydrophobicContact CB-CG 4.2Å; D240-N274 WeakPolarHBondContact O-CB 3.43Å; D240-N274 PolarHBondContact O-ND2 3.38Å
241G92.7Very high89.8Confident0 Ų031.3 Ų31.30%016%0.161CC..SBendtrans73-12.417900000115.7F238 L244 L245F238-G241 PolarHBondContact O-N 3.3Å; G241-L244 PolarHBondContact O-N 3.37Å; G241-L245 WeakPolarHBondContact O-CG 3.26Å; G241-L245 PolarHBondContact O-N 3.4Å
242V94.2Very high89.8Confident15 Ų1533.8 Ų33.89%0.09117%0.172CC..Hα-helixtrans-67.8-50.4-173176.50000110.8D240 L244 L245 L246 F261 N262 P265D240-V242 PolarHBondContact O-N 3.03Å; D240-V242 VanDerWaalsContact O-N 3.12Å; D240-V242 PolarHBondContact OD1-N 3.49Å; V242-L244 PolarHBondContact O-N 3.41Å; V242-L245 PolarHBondContact O-N 3.48Å; V242-L246 HydrophobicContact CG1-CD1 4.08Å; V242-L246 VanDerWaalsContact O-CG 3.31Å; V242-L246 WeakPolarHBondContact O-CG 3.5Å; V242-L246 PolarHBondContact O-N 3.19Å; V242-L246 VanDerWaalsContact O-N 3.09Å; V242-F261 HydrophobicContact CG1-CE2 4.26Å; V242-N262 WeakPolarHBondContact CG2-O 3.15Å; V242-P265 HydrophobicContact CG2-CG 4.18Å
243I92.9Very high89.9Confident20 Ų2032.1 Ų32.110%0.10318%0.176CC..Hα-helixtrans-63.2-35.6179.2-60.7-167000110.8M224 V231 Q237 F238 L247M224-I243 HydrophobicContact CE-CG2 4.09Å; V231-I243 HydrophobicContact CG2-CD1 4.12Å; V231-I243 HydrophobicContact CG2-CG2 3.88Å; Q237-I243 HydrophobicContact CB-CD1 3.8Å; Q237-I243 VanDerWaalsContact O-CD1 3.27Å; Q237-I243 WeakPolarHBondContact O-CD1 3.44Å; Q237-I243 WeakPolarHBondContact O-CG1 3.28Å; F238-I243 HydrophobicContact CD1-CB 4.28Å; F238-I243 HydrophobicContact CD1-CG2 4.08Å; F238-I243 HydrophobicContact CE1-CB 4.29Å; F238-I243 HydrophobicContact CE1-CG2 3.6Å; F238-I243 HydrophobicContact CZ-CG2 4.01Å; I243-L247 VanDerWaalsContact O-CB 3.22Å; I243-L247 WeakPolarHBondContact O-CB 3.34Å; I243-L247 PolarHBondContact O-N 3.06Å
244L93.9Very high90.2Very high3 Ų333.4 Ų33.42%0.01618%0.18CC..Hα-helixtrans-65.6-47.6179.3-174.157.5000111.6F238 G241 V242 L246 L247 I248 A278 I297 V308 L309 L312F238-L244 HydrophobicContact CD1-CB 4.1Å; F238-L244 HydrophobicContact CD1-CD1 4.46Å; G241-L244 PolarHBondContact O-N 3.37Å; V242-L244 PolarHBondContact O-N 3.41Å; L244-L246 PolarHBondContact O-N 2.84Å; L244-L247 PolarHBondContact O-N 2.9Å; L244-I248 HydrophobicContact CD1-CD1 4.32Å; L244-I248 HydrophobicContact CG-CD1 4.09Å; L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.47Å; L244-I248 PolarHBondContact O-N 2.95Å; L244-A278 HydrophobicContact CB-CB 4.37Å; L244-A278 HydrophobicContact CD2-CB 3.65Å; L244-A278 HydrophobicContact CG-CB 3.83Å; L244-I297 HydrophobicContact CD2-CD1 4.43Å; L244-V308 HydrophobicContact CD1-CG1 3.69Å; L244-V308 HydrophobicContact CD2-CG1 4.11Å; L244-L309 HydrophobicContact CD1-CD2 4.3Å; L244-L312 HydrophobicContact CD1-CD1 4.04Å
245L94Very high90.3Very high0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-58.7-46.8176.3-74.5167.5000112.1G241 V242 L247 I248 G249 F261 N274 V277 A278 L281G241-L245 WeakPolarHBondContact O-CG 3.26Å; G241-L245 PolarHBondContact O-N 3.4Å; V242-L245 PolarHBondContact O-N 3.48Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-L247 PolarHBondContact O-N 2.88Å; L245-I248 PolarHBondContact O-N 2.81Å; L245-G249 PolarHBondContact O-N 2.88Å; L245-F261 HydrophobicContact CD1-CB 3.42Å; L245-F261 VanDerWaalsContact CD1-CB 3.42Å; L245-F261 HydrophobicContact CD1-CD1 4.15Å; L245-F261 HydrophobicContact CD1-CD2 3.68Å; L245-F261 HydrophobicContact CD1-CE2 4.46Å; L245-F261 HydrophobicContact CD1-CG 3.49Å; L245-F261 VanDerWaalsContact CD1-CG 3.49Å; L245-N274 HydrophobicContact CD1-CB 4.05Å; L245-V277 HydrophobicContact CD2-CB 4.15Å; L245-V277 HydrophobicContact CD2-CG1 3.74Å; L245-A278 HydrophobicContact CD2-CB 3.75Å; L245-A278 HydrophobicContact CG-CB 3.97Å; L245-L281 HydrophobicContact CD2-CD1 3.78Å
246L91.9Very high90.8Very high42 Ų4236.1 Ų36.122%0.2219%0.191CC..Hα-helixtrans-64-40178.4-66.8176.4000111.8M224 L227 L229 V242 L244 Q250 F261M224-L246 HydrophobicContact CE-CB 3.8Å; L227-L246 HydrophobicContact CD1-CB 4.13Å; L229-L246 HydrophobicContact CD1-CD1 3.69Å; V242-L246 HydrophobicContact CG1-CD1 4.08Å; V242-L246 VanDerWaalsContact O-CG 3.31Å; V242-L246 WeakPolarHBondContact O-CG 3.5Å; V242-L246 PolarHBondContact O-N 3.19Å; V242-L246 VanDerWaalsContact O-N 3.09Å; L244-L246 PolarHBondContact O-N 2.84Å; L246-Q250 VanDerWaalsContact O-CB 3.29Å; L246-Q250 WeakPolarHBondContact O-CB 3.35Å; L246-Q250 PolarHBondContact O-N 2.73Å; L246-F261 HydrophobicContact CD2-CZ 4.33Å
247L92.6Very high90.7Very high0 Ų032.3 Ų32.30%018%0.178CC..Hα-helixtrans-63.1-45176.5177.663.8000111.6V220 K223 M224 F238 I243 L244 L245 Q250 L251 L309 L312V220-L247 HydrophobicContact CG1-CD2 4.43Å; V220-L247 HydrophobicContact CG2-CD2 4.01Å; K223-L247 HydrophobicContact CB-CD1 4.21Å; M224-L247 HydrophobicContact CG-CD1 4.12Å; M224-L247 HydrophobicContact SD-CB 3.91Å; M224-L247 HydrophobicContact SD-CD1 3.95Å; F238-L247 HydrophobicContact CE1-CD2 4.25Å; I243-L247 VanDerWaalsContact O-CB 3.22Å; I243-L247 WeakPolarHBondContact O-CB 3.34Å; I243-L247 PolarHBondContact O-N 3.06Å; L244-L247 PolarHBondContact O-N 2.9Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-L247 PolarHBondContact O-N 2.88Å; L247-Q250 PolarHBondContact O-N 2.91Å; L247-L251 HydrophobicContact CD1-CD1 3.9Å; L247-L251 HydrophobicContact CD1-CG 4.09Å; L247-L251 HydrophobicContact CG-CD1 3.88Å; L247-L251 HydrophobicContact CG-CG 4.45Å; L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 VanDerWaalsContact O-CG 3.24Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å; L247-L251 PolarHBondContact O-N 2.91Å; L247-L309 HydrophobicContact CD2-CD2 3.82Å; L247-L312 HydrophobicContact CD2-CD1 4.03Å; L247-L312 HydrophobicContact CG-CD1 4.46Å
248I92.3Very high90.3Very high0 Ų034.1 Ų34.10%019%0.189CC..Hα-helixtrans-60.2-50.6177.9-66.9162.5000110.2L244 L245 Q250 L251 E252 F254 A278 L281 L282 I285 L312L244-I248 HydrophobicContact CD1-CD1 4.32Å; L244-I248 HydrophobicContact CG-CD1 4.09Å; L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.47Å; L244-I248 PolarHBondContact O-N 2.95Å; L245-I248 PolarHBondContact O-N 2.81Å; I248-Q250 VanDerWaalsContact C-N 3.31Å; I248-Q250 PolarHBondContact O-N 3.1Å; I248-L251 PolarHBondContact O-N 3.49Å; I248-L251 VanDerWaalsContact O-N 3.14Å; I248-E252 PolarHBondContact O-N 3.17Å; I248-F254 HydrophobicContact CG2-CE1 4.49Å; I248-F254 HydrophobicContact CG2-CZ 3.92Å; I248-A278 HydrophobicContact CD1-CB 4Å; I248-A278 WeakPolarHBondContact CD1-O 3.27Å; I248-L281 HydrophobicContact CG2-CB 4.24Å; I248-L282 HydrophobicContact CD1-CD1 4.34Å; I248-L282 HydrophobicContact CD1-CD2 3.83Å; I248-L282 HydrophobicContact CD1-CG 3.77Å; I248-L282 HydrophobicContact CG1-CD2 3.91Å; I248-L282 HydrophobicContact CG1-CG 4.41Å; I248-I285 HydrophobicContact CG2-CD1 4.2Å; I248-L312 HydrophobicContact CG1-CD1 4.23Å; I248-L312 HydrophobicContact CG1-CD2 4.37Å
249G89.8Confident89.8Confident4 Ų443 Ų434%0.04122%0.224CC..Hα-helixtrans-57.6-43.8177.500000112.4L245 L251 E252 G253 F254L245-G249 PolarHBondContact O-N 2.88Å; G249-L251 VanDerWaalsContact C-N 3.32Å; G249-L251 PolarHBondContact O-N 3.15Å; G249-E252 PolarHBondContact O-N 3.34Å; G249-G253 WeakPolarHBondContact O-CA 3.37Å; G249-G253 PolarHBondContact O-N 3.34Å; G249-F254 CarbonylContact C-O 3.15Å; G249-F254 WeakPolarHBondContact CA-O 3.46Å; G249-F254 PolarHBondContact O-N 3.32Å
250Q89.6Confident89.3Confident72 Ų7245.7 Ų45.734%0.33624%0.237SC..Hα-helixtrans-65.3-32.8178.4-171.660.424.400113.4K223 T226 L227 L246 L247 I248K223-Q250 WeakPolarHBondContact O-CG 3.43Å; T226-Q250 VanDerWaalsContact OG1-CD 3.27Å; T226-Q250 PolarHBondContact OG1-NE2 3.46Å; L227-Q250 HydrophobicContact CD1-CB 4.49Å; L246-Q250 VanDerWaalsContact O-CB 3.29Å; L246-Q250 WeakPolarHBondContact O-CB 3.35Å; L246-Q250 PolarHBondContact O-N 2.73Å; L247-Q250 PolarHBondContact O-N 2.91Å; I248-Q250 VanDerWaalsContact C-N 3.31Å; I248-Q250 PolarHBondContact O-N 3.1Å
251L90.1Very high89.3Confident15 Ų1543.8 Ų43.88%0.07923%0.227CC..Hα-helixtrans-78.1-35.4179.8-75.1173.5000113.1F219 K223 L247 I248 G249 L312 H316F219-L251 HydrophobicContact CE1-CD1 4.3Å; F219-L251 HydrophobicContact CE1-CD2 4.34Å; F219-L251 HydrophobicContact CE2-CD2 4.34Å; F219-L251 HydrophobicContact CZ-CD1 4.2Å; F219-L251 HydrophobicContact CZ-CD2 3.6Å; K223-L251 HydrophobicContact CB-CD2 4.34Å; K223-L251 HydrophobicContact CD-CD2 3.9Å; K223-L251 HydrophobicContact CG-CD2 3.81Å; L247-L251 HydrophobicContact CD1-CD1 3.9Å; L247-L251 HydrophobicContact CD1-CG 4.09Å; L247-L251 HydrophobicContact CG-CD1 3.88Å; L247-L251 HydrophobicContact CG-CG 4.45Å; L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 VanDerWaalsContact O-CG 3.24Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å; L247-L251 PolarHBondContact O-N 2.91Å; I248-L251 PolarHBondContact O-N 3.49Å; I248-L251 VanDerWaalsContact O-N 3.14Å; G249-L251 VanDerWaalsContact C-N 3.32Å; G249-L251 PolarHBondContact O-N 3.15Å; L251-L312 HydrophobicContact CD1-CB 4.02Å; L251-L312 HydrophobicContact CD1-CD1 4.4Å; L251-L312 HydrophobicContact CD1-CD2 3.85Å; L251-L312 HydrophobicContact CD1-CG 4.33Å; L251-H316 HydrophobicContact CD2-CB 3.91Å; L251-H316 PolarHBondContact O-CE1 3.23Å
252E89.8Confident89.3Confident53 Ų5346 Ų4625%0.24824%0.238CC..Hα-helixtrans-93.8-7.4-178.7-66.4-65.3159.300112.9I248 G249 F254 I285 K315 H316I248-E252 PolarHBondContact O-N 3.17Å; G249-E252 PolarHBondContact O-N 3.34Å; E252-F254 HydrophobicContact CB-CD1 3.37Å; E252-F254 HydrophobicContact CB-CE1 3.26Å; E252-F254 HydrophobicContact CB-CZ 4.39Å; E252-F254 HydrophobicContact CG-CD1 4.46Å; E252-F254 HydrophobicContact CG-CE1 3.89Å; E252-I285 HydrophobicContact CG-CD1 3.85Å; E252-I285 HydrophobicContact CG-CG2 4.09Å; E252-K315 WeakPolarHBondContact OE1-CE 3.1Å; E252-K315 IonicContact OE1-NZ 2.68Å; E252-K315 PolarHBondContact OE1-NZ 3.36Å; E252-K315 IonicContact OE2-NZ 3.99Å; E252-H316 IonicContact OE1-CE1 3.19Å; E252-H316 PolarHBondContact OE1-CE1 3.41Å; E252-H316 IonicContact OE1-NE2 3.84Å; E252-H316 PolarHBondContact OE1-NE2 2.94Å; E252-H316 VanDerWaalsContact OE1-NE2 3.1Å
253G88.1Confident89Confident72 Ų7249.4 Ų49.474%0.74226%0.255SS*.THydrogen-bonded Turntrans76.626.4175.700000113.5G249G249-G253 WeakPolarHBondContact O-CA 3.37Å; G249-G253 PolarHBondContact O-N 3.34Å
254F88.1Confident88.8Confident78 Ų7853.7 Ų53.734%0.34228%0.282SS..  trans-121.6159.417467.9-102.6000111.8I248 G249 E252 V256 L281I248-F254 HydrophobicContact CG2-CE1 4.49Å; I248-F254 HydrophobicContact CG2-CZ 3.92Å; G249-F254 CarbonylContact C-O 3.15Å; G249-F254 WeakPolarHBondContact CA-O 3.46Å; G249-F254 PolarHBondContact O-N 3.32Å; E252-F254 HydrophobicContact CB-CD1 3.37Å; E252-F254 HydrophobicContact CB-CE1 3.26Å; E252-F254 HydrophobicContact CB-CZ 4.39Å; E252-F254 HydrophobicContact CG-CD1 4.46Å; E252-F254 HydrophobicContact CG-CE1 3.89Å; F254-V256 HydrophobicContact CD2-CG2 4.34Å; F254-V256 HydrophobicContact CE2-CG2 3.78Å; F254-L281 HydrophobicContact CE2-CD1 4.39Å; F254-L281 HydrophobicContact CE2-CD2 4.39Å; F254-L281 HydrophobicContact CZ-CD1 4.44Å; F254-L281 HydrophobicContact CZ-CD2 4.21Å
255F85.9Confident88.6Confident141 Ų14154.8 Ų54.862%0.61829%0.29SS*.PPolyproline II helixtrans-97.5127174.7-178-104.6000109.8P257 L258F255-P257 WeakPolarHBondContact O-CD 3.43Å; F255-L258 HydrophobicContact CE1-CG 4.34Å; F255-L258 HydrophobicContact CZ-CD1 4.47Å; F255-L258 HydrophobicContact CZ-CD2 3.94Å; F255-L258 HydrophobicContact CZ-CG 3.8Å
256V86.8Confident88.4Confident9 Ų960.6 Ų60.66%0.05533%0.325CS..PPolyproline II helixtrans-78.5117.4168.5-174.60000107.4F254 L258 F261 L281F254-V256 HydrophobicContact CD2-CG2 4.34Å; F254-V256 HydrophobicContact CE2-CG2 3.78Å; V256-L258 PolarHBondContact O-N 2.95Å; V256-F261 HydrophobicContact CB-CD1 4.41Å; V256-F261 HydrophobicContact CB-CE1 4.01Å; V256-F261 HydrophobicContact CG1-CD1 3.55Å; V256-F261 HydrophobicContact CG1-CE1 3.65Å; V256-L281 HydrophobicContact CG2-CD1 4.05Å
257P83.6Confident88.2Confident37 Ų3761.6 Ų61.624%0.2433%0.331CS..PPolyproline II helixtrans-58.4134.9-179.9-22.633.6000112F255 Y259 D260 F261F255-P257 WeakPolarHBondContact O-CD 3.43Å; P257-Y259 HydrophobicContact CB-CD1 3.78Å; P257-Y259 HydrophobicContact CB-CE1 3.32Å; P257-Y259 HydrophobicContact CB-CE2 4.13Å; P257-Y259 HydrophobicContact CB-CG 4.35Å; P257-Y259 VanDerWaalsContact CB-CZ 3.48Å; P257-Y259 HydrophobicContact CG-CE1 4.22Å; P257-Y259 PolarHBondContact O-N 3.42Å; P257-D260 WeakPolarHBondContact CB-OD2 3.29Å; P257-D260 WeakPolarHBondContact CD-OD2 3.28Å; P257-D260 VanDerWaalsContact CG-OD2 3.25Å; P257-D260 WeakPolarHBondContact CG-OD2 3.35Å; P257-D260 WeakPolarHBondContact O-CB 3.33Å; P257-D260 PolarHBondContact O-N 2.92Å; P257-F261 WeakPolarHBondContact O-CD1 3.18Å
258L82.6Confident88.1Confident92 Ų9264.6 Ų64.648%0.48236%0.356SS..THydrogen-bonded Turntrans-64.5-14.2-176.1-64.8-175.1000114.5F255 V256 F261 I263F255-L258 HydrophobicContact CE1-CG 4.34Å; F255-L258 HydrophobicContact CZ-CD1 4.47Å; F255-L258 HydrophobicContact CZ-CD2 3.94Å; F255-L258 HydrophobicContact CZ-CG 3.8Å; V256-L258 PolarHBondContact O-N 2.95Å; L258-F261 HydrophobicContact CD2-CE1 4.09Å; L258-F261 HydrophobicContact CD2-CZ 3.82Å; L258-F261 VanDerWaalsContact O-O 3.11Å; L258-I263 HydrophobicContact CB-CD1 4.01Å; L258-I263 HydrophobicContact CD1-CD1 3.99Å; L258-I263 HydrophobicContact CD2-CD1 3.85Å; L258-I263 HydrophobicContact CD2-CG1 4.22Å; L258-I263 HydrophobicContact CG-CD1 4.14Å
259Y82.9Confident88Confident188 Ų18869.6 Ų69.674%0.73739%0.386SS*.THydrogen-bonded Turntrans-86.8-13.1175.263.2-102.1000112.7P257 F261P257-Y259 HydrophobicContact CB-CD1 3.78Å; P257-Y259 HydrophobicContact CB-CE1 3.32Å; P257-Y259 HydrophobicContact CB-CE2 4.13Å; P257-Y259 HydrophobicContact CB-CG 4.35Å; P257-Y259 VanDerWaalsContact CB-CZ 3.48Å; P257-Y259 HydrophobicContact CG-CE1 4.22Å; P257-Y259 PolarHBondContact O-N 3.42Å; Y259-F261 VanDerWaalsContact C-N 3.35Å
260D82.8Confident88.2Confident69 Ų6971.5 Ų71.537%0.36939%0.394SS..SBendtrans-85.8-8.7-178.4-73.4-34.6000112.7P257P257-D260 WeakPolarHBondContact CB-OD2 3.29Å; P257-D260 WeakPolarHBondContact CD-OD2 3.28Å; P257-D260 VanDerWaalsContact CG-OD2 3.25Å; P257-D260 WeakPolarHBondContact CG-OD2 3.35Å; P257-D260 WeakPolarHBondContact O-CB 3.33Å; P257-D260 PolarHBondContact O-N 2.92Å
261F91.4Very high88.4Confident9 Ų970 Ų704%0.03939%0.388CS..SBendtrans-150.8160.3177.870.6-82000112.4V242 L245 L246 V256 P257 L258 Y259 I263 N274V242-F261 HydrophobicContact CG1-CE2 4.26Å; L245-F261 HydrophobicContact CD1-CB 3.42Å; L245-F261 VanDerWaalsContact CD1-CB 3.42Å; L245-F261 HydrophobicContact CD1-CD1 4.15Å; L245-F261 HydrophobicContact CD1-CD2 3.68Å; L245-F261 HydrophobicContact CD1-CE2 4.46Å; L245-F261 HydrophobicContact CD1-CG 3.49Å; L245-F261 VanDerWaalsContact CD1-CG 3.49Å; L246-F261 HydrophobicContact CD2-CZ 4.33Å; V256-F261 HydrophobicContact CB-CD1 4.41Å; V256-F261 HydrophobicContact CB-CE1 4.01Å; V256-F261 HydrophobicContact CG1-CD1 3.55Å; V256-F261 HydrophobicContact CG1-CE1 3.65Å; P257-F261 WeakPolarHBondContact O-CD1 3.18Å; L258-F261 HydrophobicContact CD2-CE1 4.09Å; L258-F261 HydrophobicContact CD2-CZ 3.82Å; L258-F261 VanDerWaalsContact O-O 3.11Å; Y259-F261 VanDerWaalsContact C-N 3.35Å; F261-I263 HydrophobicContact CE2-CG1 4.09Å; F261-I263 HydrophobicContact CZ-CG1 4.43Å; F261-I263 PolarHBondContact O-N 3.17Å; F261-N274 WeakPolarHBondContact CB-OD1 3.38Å
262N91.4Very high88.6Confident46 Ų4671.7 Ų71.725%0.24640%0.396CS..  trans-84.4109178.8-60.1-70.1000109.8V242 T264 P265 E270 N274V242-N262 WeakPolarHBondContact CG2-O 3.15Å; N262-T264 VanDerWaalsContact C-N 3.26Å; N262-T264 PolarHBondContact O-N 2.91Å; N262-P265 HydrophobicContact CB-CB 4.21Å; N262-P265 WeakPolarHBondContact O-CD 3.11Å; N262-E270 HydrophobicContact CB-CB 4.15Å; N262-E270 HydrophobicContact CB-CG 4.47Å; N262-N274 PolarHBondContact N-OD1 3.17Å; N262-N274 PolarHBondContact O-ND2 2.97Å
263I88.6Confident88.7Confident87 Ų8773.9 Ų73.945%0.44641%0.406SS..SBendtrans-64.5-32.9-179.7-53.9173.1000112L258 F261L258-I263 HydrophobicContact CB-CD1 4.01Å; L258-I263 HydrophobicContact CD1-CD1 3.99Å; L258-I263 HydrophobicContact CD2-CD1 3.85Å; L258-I263 HydrophobicContact CD2-CG1 4.22Å; L258-I263 HydrophobicContact CG-CD1 4.14Å; F261-I263 HydrophobicContact CE2-CG1 4.09Å; F261-I263 HydrophobicContact CZ-CG1 4.43Å; F261-I263 PolarHBondContact O-N 3.17Å
264T89.1Confident89.1Confident110 Ų11070.4 Ų70.468%0.67537%0.371SS*.SBendtrans-128.973.9179.655.80000108.8N262 V266N262-T264 VanDerWaalsContact C-N 3.26Å; N262-T264 PolarHBondContact O-N 2.91Å; T264-V266 PolarHBondContact O-N 3.43Å
265P89.3Confident89.4Confident26 Ų2666.7 Ų66.717%0.16936%0.355CS..  trans-65.3127.9-176.827.9-32.2000109.7D240 V242 N262 E270 M271D240-P265 HydrophobicContact CB-CG 3.7Å; V242-P265 HydrophobicContact CG2-CG 4.18Å; N262-P265 HydrophobicContact CB-CB 4.21Å; N262-P265 WeakPolarHBondContact O-CD 3.11Å; P265-E270 VanDerWaalsContact CA-OE2 3.26Å; P265-E270 WeakPolarHBondContact CA-OE2 3.39Å; P265-E270 HydrophobicContact CB-CB 3.72Å; P265-M271 HydrophobicContact CB-CG 3.86Å; P265-M271 HydrophobicContact CG-CG 4.07Å
266V89.2Confident89.7Confident122 Ų12262.3 Ų62.374%0.73934%0.34SS*.  trans-104.7-10.1-175.9-61.80000113.5T264 E270T264-V266 PolarHBondContact O-N 3.43Å; V266-E270 WeakPolarHBondContact CG2-OE2 3.44Å; V266-E270 PolarHBondContact N-OE2 3.49Å
267N89.3Confident90Very high63 Ų6363.7 Ų63.734%0.33735%0.348SS..SBendtrans-141.3161.6179.860.663.1000111.4T269 E270 M271N267-T269 PolarHBondContact O-N 3.35Å; N267-T269 WeakPolarHBondContact OD1-CA 3.33Å; N267-T269 VanDerWaalsContact OD1-CB 3.29Å; N267-T269 WeakPolarHBondContact OD1-CB 3.18Å; N267-T269 PolarHBondContact OD1-N 2.94Å; N267-T269 VanDerWaalsContact OD1-N 3.17Å; N267-E270 VanDerWaalsContact ND2-CD 3.3Å; N267-E270 PolarHBondContact ND2-OE1 3.36Å; N267-E270 PolarHBondContact O-N 2.84Å; N267-E270 VanDerWaalsContact O-N 3.17Å; N267-E270 WeakPolarHBondContact OD1-CG 3.37Å; N267-E270 PolarHBondContact OD1-N 3.43Å; N267-M271 WeakPolarHBondContact O-CG 3.31Å; N267-M271 PolarHBondContact O-N 3.01Å; N267-M271 VanDerWaalsContact O-N 3.14Å
268A88.8Confident90.5Very high64 Ų6461.9 Ų61.953%0.52934%0.336SS..Hα-helixtrans-60.6-28.5-178.500000112.9L272A268-L272 VanDerWaalsContact O-CB 3.25Å; A268-L272 WeakPolarHBondContact O-CB 3.32Å; A268-L272 PolarHBondContact O-N 3.06Å
269T91.8Very high91Very high104 Ų10457.9 Ų57.964%0.63832%0.315SS*.Hα-helixtrans-66.6-44.1177-51.10000111.4N267 L272 Q273N267-T269 PolarHBondContact O-N 3.35Å; N267-T269 WeakPolarHBondContact OD1-CA 3.33Å; N267-T269 VanDerWaalsContact OD1-CB 3.29Å; N267-T269 WeakPolarHBondContact OD1-CB 3.18Å; N267-T269 PolarHBondContact OD1-N 2.94Å; N267-T269 VanDerWaalsContact OD1-N 3.17Å; T269-L272 PolarHBondContact O-N 3.45Å; T269-Q273 WeakPolarHBondContact O-CB 3.25Å; T269-Q273 PolarHBondContact O-N 2.71Å
270E92.9Very high91.3Very high45 Ų4553 Ų5321%0.2130%0.302CS..Hα-helixtrans-66.8-39.3176.7-73169.3-156.200111.8N262 P265 V266 N267 Q273 N274N262-E270 HydrophobicContact CB-CB 4.15Å; N262-E270 HydrophobicContact CB-CG 4.47Å; P265-E270 VanDerWaalsContact CA-OE2 3.26Å; P265-E270 WeakPolarHBondContact CA-OE2 3.39Å; P265-E270 HydrophobicContact CB-CB 3.72Å; V266-E270 WeakPolarHBondContact CG2-OE2 3.44Å; V266-E270 PolarHBondContact N-OE2 3.49Å; N267-E270 VanDerWaalsContact ND2-CD 3.3Å; N267-E270 PolarHBondContact ND2-OE1 3.36Å; N267-E270 PolarHBondContact O-N 2.84Å; N267-E270 VanDerWaalsContact O-N 3.17Å; N267-E270 WeakPolarHBondContact OD1-CG 3.37Å; N267-E270 PolarHBondContact OD1-N 3.43Å; E270-Q273 PolarHBondContact O-N 2.76Å; E270-N274 VanDerWaalsContact O-CG 3.28Å; E270-N274 PolarHBondContact O-N 2.86Å; E270-N274 PolarHBondContact O-OD1 2.87Å
271M94.4Very high91.7Very high40 Ų4051.3 Ų51.320%0.19729%0.293CS..Hα-helixtrans-61.4-47173.1-63172.366.400110.9S239 D240 P265 N267 Q273 N274 V275 V298S239-M271 WeakPolarHBondContact O-CE 3.24Å; D240-M271 HydrophobicContact CB-CE 4.1Å; D240-M271 HydrophobicContact CB-CG 4.2Å; P265-M271 HydrophobicContact CB-CG 3.86Å; P265-M271 HydrophobicContact CG-CG 4.07Å; N267-M271 WeakPolarHBondContact O-CG 3.31Å; N267-M271 PolarHBondContact O-N 3.01Å; N267-M271 VanDerWaalsContact O-N 3.14Å; M271-Q273 VanDerWaalsContact C-N 3.32Å; M271-Q273 PolarHBondContact O-N 3.34Å; M271-N274 PolarHBondContact O-N 3.45Å; M271-V275 WeakPolarHBondContact O-CG2 3.49Å; M271-V275 PolarHBondContact O-N 2.89Å; M271-V298 HydrophobicContact CB-CG1 4.27Å; M271-V298 HydrophobicContact CB-CG2 4.18Å; M271-V298 HydrophobicContact CE-CG1 4.24Å
272L93.3Very high91.6Very high50 Ų5051 Ų5126%0.26229%0.291SS..Hα-helixtrans-61.6-41178.5-169.472.9000111.7A268 T269 V275 T276 P294 Q295 V298A268-L272 VanDerWaalsContact O-CB 3.25Å; A268-L272 WeakPolarHBondContact O-CB 3.32Å; A268-L272 PolarHBondContact O-N 3.06Å; T269-L272 PolarHBondContact O-N 3.45Å; L272-V275 PolarHBondContact O-N 3.4Å; L272-T276 WeakPolarHBondContact O-CB 3.16Å; L272-T276 PolarHBondContact O-N 3.22Å; L272-T276 PolarHBondContact O-OG1 3.23Å; L272-P294 HydrophobicContact CD1-CB 3.59Å; L272-P294 HydrophobicContact CG-CB 4.36Å; L272-Q295 HydrophobicContact CD1-CG 3.93Å; L272-V298 HydrophobicContact CB-CG2 4.32Å; L272-V298 HydrophobicContact CD1-CG2 4.04Å
273Q93.3Very high91.4Very high99 Ų9952.2 Ų52.246%0.46330%0.298SS..Hα-helixtrans-60.9-48.3175.2-176.3-178.9-1000111.1T269 E270 M271 V275 T276 V277T269-Q273 WeakPolarHBondContact O-CB 3.25Å; T269-Q273 PolarHBondContact O-N 2.71Å; E270-Q273 PolarHBondContact O-N 2.76Å; M271-Q273 VanDerWaalsContact C-N 3.32Å; M271-Q273 PolarHBondContact O-N 3.34Å; Q273-V275 VanDerWaalsContact C-N 3.35Å; Q273-V275 PolarHBondContact O-N 3.29Å; Q273-T276 PolarHBondContact O-N 2.92Å; Q273-V277 WeakPolarHBondContact O-CG2 3.45Å; Q273-V277 PolarHBondContact O-N 2.87Å
274N94.9Very high91.3Very high0 Ų054.5 Ų54.50%031%0.311CS..Hα-helixtrans-59-45.8178.1-70.5-4.2000112.2D240 L245 F261 N262 E270 M271 T276 V277 A278D240-N274 WeakPolarHBondContact O-CB 3.43Å; D240-N274 PolarHBondContact O-ND2 3.38Å; L245-N274 HydrophobicContact CD1-CB 4.05Å; F261-N274 WeakPolarHBondContact CB-OD1 3.38Å; N262-N274 PolarHBondContact N-OD1 3.17Å; N262-N274 PolarHBondContact O-ND2 2.97Å; E270-N274 VanDerWaalsContact O-CG 3.28Å; E270-N274 PolarHBondContact O-N 2.86Å; E270-N274 PolarHBondContact O-OD1 2.87Å; M271-N274 PolarHBondContact O-N 3.45Å; N274-T276 VanDerWaalsContact C-N 3.34Å; N274-V277 PolarHBondContact O-N 2.91Å; N274-A278 PolarHBondContact O-N 3.44Å
275V95Very high91Very high0 Ų051 Ų510%029%0.288CS..Hα-helixtrans-64.5-40.5178.1174.30000110.9M271 L272 Q273 V277 A278 L279 P294 I297 V298M271-V275 WeakPolarHBondContact O-CG2 3.49Å; M271-V275 PolarHBondContact O-N 2.89Å; L272-V275 PolarHBondContact O-N 3.4Å; Q273-V275 VanDerWaalsContact C-N 3.35Å; Q273-V275 PolarHBondContact O-N 3.29Å; V275-V277 PolarHBondContact O-N 2.92Å; V275-A278 WeakPolarHBondContact O-CB 3.28Å; V275-A278 PolarHBondContact O-N 2.96Å; V275-A278 VanDerWaalsContact O-N 3.12Å; V275-L279 HydrophobicContact CG1-CD1 4.5Å; V275-L279 HydrophobicContact CG1-CG 4.37Å; V275-L279 WeakPolarHBondContact O-CG 3.37Å; V275-L279 PolarHBondContact O-N 3.1Å; V275-P294 HydrophobicContact CB-CB 4.37Å; V275-P294 HydrophobicContact CG1-CB 3.87Å; V275-I297 HydrophobicContact CG1-CB 3.87Å; V275-I297 HydrophobicContact CG1-CD1 3.76Å; V275-I297 HydrophobicContact CG1-CG1 4.33Å; V275-I297 HydrophobicContact CG1-CG2 4.17Å; V275-I297 HydrophobicContact CG2-CB 4.38Å; V275-I297 HydrophobicContact CG2-CG2 3.97Å; V275-V298 HydrophobicContact CB-CG2 4.37Å; V275-V298 HydrophobicContact CG2-CG2 3.91Å
276T93.2Very high90.6Very high49 Ų4952.5 Ų52.530%0.30131%0.308SS..Hα-helixtrans-59.5-48.9177-56.40000110.7L272 Q273 N274 A278 L279 D280L272-T276 WeakPolarHBondContact O-CB 3.16Å; L272-T276 PolarHBondContact O-N 3.22Å; L272-T276 PolarHBondContact O-OG1 3.23Å; Q273-T276 PolarHBondContact O-N 2.92Å; N274-T276 VanDerWaalsContact C-N 3.34Å; T276-A278 PolarHBondContact O-N 3.38Å; T276-L279 PolarHBondContact O-N 3.29Å; T276-L279 VanDerWaalsContact O-N 3.14Å; T276-D280 PolarHBondContact O-N 2.87Å
277V93.1Very high90.3Very high37 Ų3748 Ų4822%0.22428%0.28CS..Hα-helixtrans-58.4-39.4175.3176.50000110.9L245 Q273 N274 V275 D280 L281L245-V277 HydrophobicContact CD2-CB 4.15Å; L245-V277 HydrophobicContact CD2-CG1 3.74Å; Q273-V277 WeakPolarHBondContact O-CG2 3.45Å; Q273-V277 PolarHBondContact O-N 2.87Å; N274-V277 PolarHBondContact O-N 2.91Å; V275-V277 PolarHBondContact O-N 2.92Å; V277-D280 PolarHBondContact O-N 3.32Å; V277-L281 HydrophobicContact CG1-CD1 4.32Å; V277-L281 VanDerWaalsContact O-CG 3.32Å; V277-L281 WeakPolarHBondContact O-CG 3.25Å; V277-L281 PolarHBondContact O-N 2.82Å
278A94.3Very high89.7Confident0 Ų049.2 Ų49.20%029%0.291CS..Hα-helixtrans-64.3-43.4177.700000112.4L244 L245 I248 N274 V275 T276 L281 L282L244-A278 HydrophobicContact CB-CB 4.37Å; L244-A278 HydrophobicContact CD2-CB 3.65Å; L244-A278 HydrophobicContact CG-CB 3.83Å; L245-A278 HydrophobicContact CD2-CB 3.75Å; L245-A278 HydrophobicContact CG-CB 3.97Å; I248-A278 HydrophobicContact CD1-CB 4Å; I248-A278 WeakPolarHBondContact CD1-O 3.27Å; N274-A278 PolarHBondContact O-N 3.44Å; V275-A278 WeakPolarHBondContact O-CB 3.28Å; V275-A278 PolarHBondContact O-N 2.96Å; V275-A278 VanDerWaalsContact O-N 3.12Å; T276-A278 PolarHBondContact O-N 3.38Å; A278-L281 PolarHBondContact O-N 3.19Å; A278-L282 VanDerWaalsContact O-CG 3.31Å; A278-L282 WeakPolarHBondContact O-CG 3.32Å; A278-L282 PolarHBondContact O-N 3.3Å
279L91.9Very high88.8Confident8 Ų847.1 Ų47.14%0.04227%0.272CS..Hα-helixtrans-67.7-38.2177.5-63.2-170.7000111.9V275 T276 L282 N283 T289 I292 P294 I297 V308V275-L279 HydrophobicContact CG1-CD1 4.5Å; V275-L279 HydrophobicContact CG1-CG 4.37Å; V275-L279 WeakPolarHBondContact O-CG 3.37Å; V275-L279 PolarHBondContact O-N 3.1Å; T276-L279 PolarHBondContact O-N 3.29Å; T276-L279 VanDerWaalsContact O-N 3.14Å; L279-L282 HydrophobicContact CD2-CD1 3.93Å; L279-L282 WeakPolarHBondContact O-CB 3.09Å; L279-L282 PolarHBondContact O-N 2.76Å; L279-N283 PolarHBondContact O-N 2.84Å; L279-N283 PolarHBondContact O-ND2 3.25Å; L279-N283 VanDerWaalsContact O-ND2 3.16Å; L279-T289 HydrophobicContact CD2-CG2 4.06Å; L279-I292 HydrophobicContact CD1-CG2 4.31Å; L279-P294 HydrophobicContact CD1-CB 4.48Å; L279-P294 HydrophobicContact CD1-CG 3.91Å; L279-I297 HydrophobicContact CD2-CD1 4Å; L279-V308 HydrophobicContact CD2-CG2 4.17Å
280D90.1Very high87.4Confident84 Ų8446.6 Ų46.645%0.44927%0.269SS..Hα-helixtrans-61.1-44.8174-70.2-22.2000111.1T276 V277 L282 N283 D284T276-D280 PolarHBondContact O-N 2.87Å; V277-D280 PolarHBondContact O-N 3.32Å; D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 2.75Å; D280-N283 WeakPolarHBondContact O-CB 3.18Å; D280-N283 PolarHBondContact O-N 2.59Å; D280-N283 VanDerWaalsContact O-N 3.15Å; D280-D284 PolarHBondContact O-N 2.76Å
281L90.8Very high86.4Confident34 Ų3449.9 Ų49.918%0.17829%0.288CS..Hα-helixtrans-61.3-37.7174.3-72.5174.7000112.4L245 I248 F254 V256 V277 A278 N283 D284 I285L245-L281 HydrophobicContact CD2-CD1 3.78Å; I248-L281 HydrophobicContact CG2-CB 4.24Å; F254-L281 HydrophobicContact CE2-CD1 4.39Å; F254-L281 HydrophobicContact CE2-CD2 4.39Å; F254-L281 HydrophobicContact CZ-CD1 4.44Å; F254-L281 HydrophobicContact CZ-CD2 4.21Å; V256-L281 HydrophobicContact CG2-CD1 4.05Å; V277-L281 HydrophobicContact CG1-CD1 4.32Å; V277-L281 VanDerWaalsContact O-CG 3.32Å; V277-L281 WeakPolarHBondContact O-CG 3.25Å; V277-L281 PolarHBondContact O-N 2.82Å; A278-L281 PolarHBondContact O-N 3.19Å; L281-N283 VanDerWaalsContact C-N 3.35Å; L281-D284 PolarHBondContact O-N 3.15Å; L281-I285 WeakPolarHBondContact O-CG1 3.36Å; L281-I285 WeakPolarHBondContact O-CG2 3.37Å; L281-I285 PolarHBondContact O-N 3.48Å; L281-I285 VanDerWaalsContact O-N 3.14Å
282L89.6Confident85.8Confident3 Ų348.9 Ų48.92%0.01628%0.283CS..Hα-helixtrans-63.6-41.5175.1-70.4171.9000111.6I248 A278 L279 D280 I285 G286 L287 T289 V308 L312I248-L282 HydrophobicContact CD1-CD1 4.34Å; I248-L282 HydrophobicContact CD1-CD2 3.83Å; I248-L282 HydrophobicContact CD1-CG 3.77Å; I248-L282 HydrophobicContact CG1-CD2 3.91Å; I248-L282 HydrophobicContact CG1-CG 4.41Å; A278-L282 VanDerWaalsContact O-CG 3.31Å; A278-L282 WeakPolarHBondContact O-CG 3.32Å; A278-L282 PolarHBondContact O-N 3.3Å; L279-L282 HydrophobicContact CD2-CD1 3.93Å; L279-L282 WeakPolarHBondContact O-CB 3.09Å; L279-L282 PolarHBondContact O-N 2.76Å; D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 2.75Å; L282-I285 HydrophobicContact CD2-CD1 4.07Å; L282-I285 VanDerWaalsContact O-CG1 3.24Å; L282-I285 WeakPolarHBondContact O-CG1 3.22Å; L282-I285 PolarHBondContact O-N 3.36Å; L282-G286 PolarHBondContact O-N 3.34Å; L282-L287 CarbonylContact C-O 3.53Å; L282-L287 HydrophobicContact CB-CB 4.42Å; L282-L287 HydrophobicContact CD2-CB 4.5Å; L282-L287 HydrophobicContact CD2-CD1 4.2Å; L282-L287 CarbonylContact O-C 3.01Å; L282-L287 WeakPolarHBondContact O-CA 3.3Å; L282-L287 WeakPolarHBondContact O-CB 3.14Å; L282-L287 PolarHBondContact O-N 3.02Å; L282-T289 HydrophobicContact CB-CG2 4.25Å; L282-T289 HydrophobicContact CD1-CG2 3.72Å; L282-V308 HydrophobicContact CD1-CG1 3.62Å; L282-L312 HydrophobicContact CD2-CD1 4.3Å; L282-L312 HydrophobicContact CD2-CD2 3.61Å; L282-L312 HydrophobicContact CD2-CG 4.01Å
283N87Confident85.6Confident72 Ų7252.3 Ų52.339%0.38530%0.297SS..Hα-helixtrans-61.8-45.5175.1-69.1-41.1000111.2L279 D280 L281 I285 G286 P288L279-N283 PolarHBondContact O-N 2.84Å; L279-N283 PolarHBondContact O-ND2 3.25Å; L279-N283 VanDerWaalsContact O-ND2 3.16Å; D280-N283 WeakPolarHBondContact O-CB 3.18Å; D280-N283 PolarHBondContact O-N 2.59Å; D280-N283 VanDerWaalsContact O-N 3.15Å; L281-N283 VanDerWaalsContact C-N 3.35Å; N283-I285 VanDerWaalsContact C-N 3.27Å; N283-I285 PolarHBondContact O-N 2.79Å; N283-G286 PolarHBondContact O-N 3.06Å; N283-P288 WeakPolarHBondContact OD1-CA 3.44Å
284D85.3Confident85.4Confident134 Ų13448.9 Ų48.972%0.71728%0.284SS*.Hα-helixtrans-61.4-33.4179.9-75.1-15.7000112.9D280 L281 G286D280-D284 PolarHBondContact O-N 2.76Å; L281-D284 PolarHBondContact O-N 3.15Å; D284-G286 VanDerWaalsContact C-N 3.27Å; D284-G286 PolarHBondContact O-N 2.93Å
285I84.1Confident85.2Confident36 Ų3653.2 Ų53.219%0.18530%0.304CS..THydrogen-bonded Turntrans-88.912.4177.970178.4000113.4I248 E252 L281 L282 N283 L287 K315I248-I285 HydrophobicContact CG2-CD1 4.2Å; E252-I285 HydrophobicContact CG-CD1 3.85Å; E252-I285 HydrophobicContact CG-CG2 4.09Å; L281-I285 WeakPolarHBondContact O-CG1 3.36Å; L281-I285 WeakPolarHBondContact O-CG2 3.37Å; L281-I285 PolarHBondContact O-N 3.48Å; L281-I285 VanDerWaalsContact O-N 3.14Å; L282-I285 HydrophobicContact CD2-CD1 4.07Å; L282-I285 VanDerWaalsContact O-CG1 3.24Å; L282-I285 WeakPolarHBondContact O-CG1 3.22Å; L282-I285 PolarHBondContact O-N 3.36Å; N283-I285 VanDerWaalsContact C-N 3.27Å; N283-I285 PolarHBondContact O-N 2.79Å; I285-L287 HydrophobicContact CD1-CD1 4.09Å; I285-L287 HydrophobicContact CG1-CB 4.47Å; I285-L287 HydrophobicContact CG1-CD1 4.41Å; I285-L287 HydrophobicContact CG1-CG 4.48Å; I285-K315 PolarHBondContact O-NZ 2.84Å
286G81.1Confident84.9Confident58 Ų5855.3 Ų55.360%0.59832%0.315SS*.THydrogen-bonded Turntrans75.125.6176.300000114.6L282 N283 D284 P288L282-G286 PolarHBondContact O-N 3.34Å; N283-G286 PolarHBondContact O-N 3.06Å; D284-G286 VanDerWaalsContact C-N 3.27Å; D284-G286 PolarHBondContact O-N 2.93Å; G286-P288 VanDerWaalsContact C-CD 3.43Å; G286-P288 VanDerWaalsContact O-CD 3.28Å; G286-P288 WeakPolarHBondContact O-CD 3.27Å
287L83.2Confident84.8Confident28 Ų2853.1 Ų53.115%0.14730%0.302CS..  trans-110.976.7170.4-72.2174.9000109.8L282 I285 T289 A311 L312 K315L282-L287 CarbonylContact C-O 3.53Å; L282-L287 HydrophobicContact CB-CB 4.42Å; L282-L287 HydrophobicContact CD2-CB 4.5Å; L282-L287 HydrophobicContact CD2-CD1 4.2Å; L282-L287 CarbonylContact O-C 3.01Å; L282-L287 WeakPolarHBondContact O-CA 3.3Å; L282-L287 WeakPolarHBondContact O-CB 3.14Å; L282-L287 PolarHBondContact O-N 3.02Å; I285-L287 HydrophobicContact CD1-CD1 4.09Å; I285-L287 HydrophobicContact CG1-CB 4.47Å; I285-L287 HydrophobicContact CG1-CD1 4.41Å; I285-L287 HydrophobicContact CG1-CG 4.48Å; L287-T289 PolarHBondContact O-N 3.17Å; L287-A311 HydrophobicContact CD2-CB 4.44Å; L287-L312 HydrophobicContact CD1-CD2 3.88Å; L287-K315 HydrophobicContact CD1-CB 4.28Å; L287-K315 HydrophobicContact CD1-CD 3.53Å; L287-K315 HydrophobicContact CD2-CB 4.22Å; L287-K315 HydrophobicContact CD2-CD 3.97Å; L287-K315 HydrophobicContact CG-CD 3.74Å
288P75Confident84.7Confident89 Ų8952.7 Ų52.758%0.57830%0.299SS*.  trans-64120.7-178.327.1-33.8000110.3N283 G286 T290N283-P288 WeakPolarHBondContact OD1-CA 3.44Å; G286-P288 VanDerWaalsContact C-CD 3.43Å; G286-P288 VanDerWaalsContact O-CD 3.28Å; G286-P288 WeakPolarHBondContact O-CD 3.27Å; P288-T290 VanDerWaalsContact C-N 3.26Å; P288-T290 HydrophobicContact CB-CG2 4.42Å; P288-T290 PolarHBondContact O-N 3.1Å; P288-T290 VanDerWaalsContact O-N 3.17Å
289T69.9Low84.5Confident20 Ų2056.6 Ų56.612%0.12333%0.327CS..  trans-89.265.1174.7560000109.6L279 L282 L287 N291 I292 V308L279-T289 HydrophobicContact CD2-CG2 4.06Å; L282-T289 HydrophobicContact CB-CG2 4.25Å; L282-T289 HydrophobicContact CD1-CG2 3.72Å; L287-T289 PolarHBondContact O-N 3.17Å; T289-N291 PolarHBondContact O-N 2.89Å; T289-I292 HydrophobicContact CG2-CD1 4.24Å; T289-I292 PolarHBondContact O-N 3.43Å; T289-V308 HydrophobicContact CG2-CG2 4.23Å
290T63.4Low84.4Confident93 Ų9360.5 Ų60.557%0.57135%0.345SS*.THydrogen-bonded Turntrans-62.6131.8175.349.10000109.7P288P288-T290 VanDerWaalsContact C-N 3.26Å; P288-T290 HydrophobicContact CB-CG2 4.42Å; P288-T290 PolarHBondContact O-N 3.1Å; P288-T290 VanDerWaalsContact O-N 3.17Å
291N70.9Confident84.2Confident114 Ų11459.5 Ų59.561%0.6134%0.339SS*.THydrogen-bonded Turntrans68.126.1-179.5-53.3-12.3000116T289T289-N291 PolarHBondContact O-N 2.89Å
292I83Confident83.9Confident18 Ų1859.9 Ų59.99%0.09234%0.343CS..  trans-119.9116.1167.6-63.1159.1000108.1L279 T289 I297 A304 K307 V308L279-I292 HydrophobicContact CD1-CG2 4.31Å; T289-I292 HydrophobicContact CG2-CD1 4.24Å; T289-I292 PolarHBondContact O-N 3.43Å; I292-I297 HydrophobicContact CG2-CD1 4.04Å; I292-I297 HydrophobicContact CG2-CG1 4.23Å; I292-A304 HydrophobicContact CG2-CB 4.15Å; I292-K307 HydrophobicContact CD1-CB 3.72Å; I292-K307 HydrophobicContact CD1-CD 4.39Å; I292-K307 HydrophobicContact CG1-CB 4.48Å; I292-K307 HydrophobicContact CG1-CD 4.33Å; I292-V308 HydrophobicContact CD1-CG2 3.66Å; I292-V308 HydrophobicContact CG2-CG2 4.41Å
293E87.9Confident83.5Confident122 Ų12261.7 Ų61.757%0.5735%0.354SS*.  trans-88.4145.7171.8-60-165.6165.300109.9Q295 D296E293-Q295 PolarHBondContact O-N 2.96Å; E293-D296 PolarHBondContact N-OD2 3.26Å; E293-D296 WeakPolarHBondContact O-CB 3.4Å; E293-D296 PolarHBondContact O-N 3.35Å
294P89.5Confident83.6Confident27 Ų2758.4 Ų58.418%0.17534%0.337CS..Hα-helixtrans-52.4-31.8175.2-26.532.4000113.4L272 V275 L279 D296 I297 V298L272-P294 HydrophobicContact CD1-CB 3.59Å; L272-P294 HydrophobicContact CG-CB 4.36Å; V275-P294 HydrophobicContact CB-CB 4.37Å; V275-P294 HydrophobicContact CG1-CB 3.87Å; L279-P294 HydrophobicContact CD1-CB 4.48Å; L279-P294 HydrophobicContact CD1-CG 3.91Å; P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 2.9Å; P294-I297 PolarHBondContact O-N 3.09Å; P294-V298 WeakPolarHBondContact O-CG2 3.48Å; P294-V298 PolarHBondContact O-N 3.35Å
295Q90.8Very high83.7Confident91 Ų9152.3 Ų52.343%0.42530%0.304SS..Hα-helixtrans-62-32177.1-66.181.1-6.200112.5L272 E293 V298 S299L272-Q295 HydrophobicContact CD1-CG 3.93Å; E293-Q295 PolarHBondContact O-N 2.96Å; Q295-V298 PolarHBondContact O-N 2.95Å; Q295-S299 VanDerWaalsContact O-CB 3.24Å; Q295-S299 WeakPolarHBondContact O-CB 3.23Å; Q295-S299 PolarHBondContact O-N 3.37Å; Q295-S299 PolarHBondContact O-OG 3.25Å
296D89.3Confident83.8Confident45 Ų4550.7 Ų50.724%0.24130%0.296CS..Hα-helixtrans-67.6-40.1-178.4-57.8-35.6000110.6E293 P294 S299 Q300 D301 A304E293-D296 PolarHBondContact N-OD2 3.26Å; E293-D296 WeakPolarHBondContact O-CB 3.4Å; E293-D296 PolarHBondContact O-N 3.35Å; P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 2.9Å; D296-S299 WeakPolarHBondContact CA-OG 3.35Å; D296-S299 PolarHBondContact O-OG 3.21Å; D296-S299 VanDerWaalsContact O-OG 3.11Å; D296-Q300 PolarHBondContact O-N 3.38Å; D296-D301 HydrophobicContact CB-CB 4.15Å; D296-D301 WeakPolarHBondContact O-CB 3.49Å; D296-D301 PolarHBondContact O-N 3.01Å; D296-A304 HydrophobicContact CB-CB 3.54Å
297I90.6Very high84Confident2 Ų248.8 Ų48.81%0.0127%0.272CS..Hα-helixtrans-72.3-42.8177.7-61171.1000110.7S239 L244 V275 L279 I292 P294 S299 Q300 A304 V308S239-I297 WeakPolarHBondContact CA-O 3.49Å; S239-I297 WeakPolarHBondContact CB-O 3.12Å; L244-I297 HydrophobicContact CD2-CD1 4.43Å; V275-I297 HydrophobicContact CG1-CB 3.87Å; V275-I297 HydrophobicContact CG1-CD1 3.76Å; V275-I297 HydrophobicContact CG1-CG1 4.33Å; V275-I297 HydrophobicContact CG1-CG2 4.17Å; V275-I297 HydrophobicContact CG2-CB 4.38Å; V275-I297 HydrophobicContact CG2-CG2 3.97Å; L279-I297 HydrophobicContact CD2-CD1 4Å; I292-I297 HydrophobicContact CG2-CD1 4.04Å; I292-I297 HydrophobicContact CG2-CG1 4.23Å; P294-I297 PolarHBondContact O-N 3.09Å; I297-S299 VanDerWaalsContact C-N 3.27Å; I297-S299 PolarHBondContact O-N 2.99Å; I297-Q300 PolarHBondContact O-N 3.22Å; I297-Q300 VanDerWaalsContact O-N 3.1Å; I297-A304 HydrophobicContact CG1-CB 4.37Å; I297-V308 HydrophobicContact CD1-CG2 3.97Å
298V91.7Very high84.3Confident28 Ų2847.6 Ų47.617%0.1727%0.266CS..Hα-helixtrans-62.9-36177.4175.30000111.6M271 L272 V275 P294 Q295 Q300M271-V298 HydrophobicContact CB-CG1 4.27Å; M271-V298 HydrophobicContact CB-CG2 4.18Å; M271-V298 HydrophobicContact CE-CG1 4.24Å; L272-V298 HydrophobicContact CB-CG2 4.32Å; L272-V298 HydrophobicContact CD1-CG2 4.04Å; V275-V298 HydrophobicContact CB-CG2 4.37Å; V275-V298 HydrophobicContact CG2-CG2 3.91Å; P294-V298 WeakPolarHBondContact O-CG2 3.48Å; P294-V298 PolarHBondContact O-N 3.35Å; Q295-V298 PolarHBondContact O-N 2.95Å; V298-Q300 PolarHBondContact O-N 3.03Å
299S89.9Confident85Confident83 Ų8343.5 Ų43.558%0.5824%0.238SC*.THydrogen-bonded Turntrans-816.8177.563.70000114.2Q295 D296 I297 D301Q295-S299 VanDerWaalsContact O-CB 3.24Å; Q295-S299 WeakPolarHBondContact O-CB 3.23Å; Q295-S299 PolarHBondContact O-N 3.37Å; Q295-S299 PolarHBondContact O-OG 3.25Å; D296-S299 WeakPolarHBondContact CA-OG 3.35Å; D296-S299 PolarHBondContact O-OG 3.21Å; D296-S299 VanDerWaalsContact O-OG 3.11Å; I297-S299 VanDerWaalsContact C-N 3.27Å; I297-S299 PolarHBondContact O-N 2.99Å; S299-D301 VanDerWaalsContact C-N 3.33Å
300Q89.3Confident85.8Confident90 Ų9045.8 Ų45.842%0.42125%0.245SC..THydrogen-bonded Turntrans63.934178.7-57.6173.81.800113.2E235 D296 I297 V298 V302E235-Q300 WeakPolarHBondContact O-CB 3.32Å; D296-Q300 PolarHBondContact O-N 3.38Å; I297-Q300 PolarHBondContact O-N 3.22Å; I297-Q300 VanDerWaalsContact O-N 3.1Å; V298-Q300 PolarHBondContact O-N 3.03Å; Q300-V302 PolarHBondContact O-N 2.93Å
301D86.7Confident86.9Confident62 Ų6242.9 Ų42.933%0.33223%0.231SC..  trans-64.4109.5167.5-173.2-12.8000109.3D296 S299 T303 A304 T305D296-D301 HydrophobicContact CB-CB 4.15Å; D296-D301 WeakPolarHBondContact O-CB 3.49Å; D296-D301 PolarHBondContact O-N 3.01Å; S299-D301 VanDerWaalsContact C-N 3.33Å; D301-T303 PolarHBondContact O-N 3.35Å; D301-T303 WeakPolarHBondContact OD1-CA 3.47Å; D301-T303 WeakPolarHBondContact OD1-CB 3.44Å; D301-T303 PolarHBondContact OD1-N 3.43Å; D301-A304 HydrophobicContact CB-CB 3.95Å; D301-A304 PolarHBondContact O-N 3.01Å; D301-A304 PolarHBondContact OD1-N 2.96Å; D301-T305 WeakPolarHBondContact O-CB 3.4Å; D301-T305 PolarHBondContact O-N 2.72Å; D301-T305 PolarHBondContact O-OG1 2.81Å
302V83.2Confident87.7Confident42 Ų4237.5 Ų37.526%0.25520%0.202SC..Hα-helixtrans-59-36178.71800000110.9E235 Q300 L306E235-V302 HydrophobicContact CB-CG2 4.23Å; E235-V302 HydrophobicContact CG-CG1 4.29Å; E235-V302 HydrophobicContact CG-CG2 3.85Å; Q300-V302 PolarHBondContact O-N 2.93Å; V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 PolarHBondContact O-N 2.63Å
303T82.8Confident87.9Confident41 Ų4138.1 Ų38.125%0.25220%0.204SC..Hα-helixtrans-68.1-51179.8-57.70000110.5I198 L202 D301 T305 L306 K307I198-T303 HydrophobicContact CG2-CG2 4.41Å; L202-T303 HydrophobicContact CD1-CG2 3.43Å; L202-T303 VanDerWaalsContact CD1-CG2 3.43Å; L202-T303 WeakPolarHBondContact CD1-OG1 3.35Å; D301-T303 PolarHBondContact O-N 3.35Å; D301-T303 WeakPolarHBondContact OD1-CA 3.47Å; D301-T303 WeakPolarHBondContact OD1-CB 3.44Å; D301-T303 PolarHBondContact OD1-N 3.43Å; T303-T305 PolarHBondContact O-N 2.75Å; T303-L306 PolarHBondContact O-N 3.25Å; T303-K307 HydrophobicContact CG2-CD 4.19Å; T303-K307 VanDerWaalsContact O-CG 3.3Å; T303-K307 WeakPolarHBondContact O-CG 3.4Å; T303-K307 PolarHBondContact O-N 3.13Å
304A87.3Confident87.7Confident3 Ų338.9 Ų38.93%0.02521%0.205CC..Hα-helixtrans-60.2-45.8178.100000111.8I292 D296 I297 D301 L306 K307 V308I292-A304 HydrophobicContact CG2-CB 4.15Å; D296-A304 HydrophobicContact CB-CB 3.54Å; I297-A304 HydrophobicContact CG1-CB 4.37Å; D301-A304 HydrophobicContact CB-CB 3.95Å; D301-A304 PolarHBondContact O-N 3.01Å; D301-A304 PolarHBondContact OD1-N 2.96Å; A304-L306 VanDerWaalsContact C-N 3.35Å; A304-L306 PolarHBondContact O-N 2.84Å; A304-K307 WeakPolarHBondContact O-CB 3.49Å; A304-K307 PolarHBondContact O-N 2.92Å; A304-V308 PolarHBondContact O-N 3.5Å
305T89Confident87.5Confident6 Ų641.2 Ų41.24%0.03721%0.213CC..Hα-helixtrans-61.9-43.1177.7-55.30000111.3M234 F238 D301 T303 V308 L309M234-T305 HydrophobicContact CG-CG2 4.41Å; F238-T305 HydrophobicContact CB-CG2 3.93Å; F238-T305 HydrophobicContact CD2-CG2 4.22Å; F238-T305 HydrophobicContact CG-CG2 4.21Å; D301-T305 WeakPolarHBondContact O-CB 3.4Å; D301-T305 PolarHBondContact O-N 2.72Å; D301-T305 PolarHBondContact O-OG1 2.81Å; T303-T305 PolarHBondContact O-N 2.75Å; T305-V308 PolarHBondContact O-N 2.78Å; T305-L309 HydrophobicContact CG2-CD1 3.96Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 VanDerWaalsContact O-CG 3.3Å; T305-L309 WeakPolarHBondContact O-CG 3.23Å; T305-L309 PolarHBondContact O-N 3.27Å; T305-L309 VanDerWaalsContact O-N 3.08Å
306L86.3Confident87.2Confident2 Ų237 Ų371%0.0119%0.193CC..Hα-helixtrans-67.4-38179.7-170.666.1000112.3I198 L201 K213 I216 M234 V302 T303 A304 L309 Y310I198-L306 HydrophobicContact CD1-CD2 4.39Å; I198-L306 HydrophobicContact CD1-CG 4.2Å; I198-L306 HydrophobicContact CG2-CD2 4.12Å; I198-L306 HydrophobicContact CG2-CG 4.41Å; L201-L306 HydrophobicContact CD2-CD2 4.39Å; K213-L306 HydrophobicContact CG-CD1 4.25Å; I216-L306 HydrophobicContact CD1-CD1 3.54Å; M234-L306 HydrophobicContact SD-CD1 4.23Å; V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 PolarHBondContact O-N 2.63Å; T303-L306 PolarHBondContact O-N 3.25Å; A304-L306 VanDerWaalsContact C-N 3.35Å; A304-L306 PolarHBondContact O-N 2.84Å; L306-L309 PolarHBondContact O-N 3.33Å; L306-Y310 WeakPolarHBondContact O-CB 3.24Å; L306-Y310 PolarHBondContact O-N 2.73Å
307K85.3Confident86.4Confident19 Ų1941.7 Ų41.78%0.08321%0.211CC..Hα-helixtrans-56.3-50.6173.9-76.5173.4175.7-150.10111.7D196 I198 E199 I292 T303 A304 Y310 A311D196-K307 WeakPolarHBondContact OD2-CD 3.34Å; D196-K307 WeakPolarHBondContact OD2-CE 3.29Å; D196-K307 WeakPolarHBondContact OD2-CG 3.28Å; D196-K307 IonicContact OD2-NZ 3.1Å; D196-K307 PolarHBondContact OD2-NZ 3.03Å; I198-K307 HydrophobicContact CB-CG 3.59Å; I198-K307 HydrophobicContact CG1-CB 4.35Å; I198-K307 HydrophobicContact CG1-CG 3.76Å; I198-K307 HydrophobicContact CG2-CG 3.78Å; E199-K307 IonicContact OE1-NZ 2.86Å; E199-K307 PolarHBondContact OE1-NZ 2.81Å; I292-K307 HydrophobicContact CD1-CB 3.72Å; I292-K307 HydrophobicContact CD1-CD 4.39Å; I292-K307 HydrophobicContact CG1-CB 4.48Å; I292-K307 HydrophobicContact CG1-CD 4.33Å; T303-K307 HydrophobicContact CG2-CD 4.19Å; T303-K307 VanDerWaalsContact O-CG 3.3Å; T303-K307 WeakPolarHBondContact O-CG 3.4Å; T303-K307 PolarHBondContact O-N 3.13Å; A304-K307 WeakPolarHBondContact O-CB 3.49Å; A304-K307 PolarHBondContact O-N 2.92Å; K307-Y310 PolarHBondContact O-N 2.91Å; K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 2.75Å
308V89Confident84.8Confident3 Ų347.4 Ų47.42%0.01825%0.252CS..Hα-helixtrans-61.1-50.3177.7173.20000111.8L244 L279 L282 T289 I292 I297 A304 T305 Y310 A311 L312L244-V308 HydrophobicContact CD1-CG1 3.69Å; L244-V308 HydrophobicContact CD2-CG1 4.11Å; L279-V308 HydrophobicContact CD2-CG2 4.17Å; L282-V308 HydrophobicContact CD1-CG1 3.62Å; T289-V308 HydrophobicContact CG2-CG2 4.23Å; I292-V308 HydrophobicContact CD1-CG2 3.66Å; I292-V308 HydrophobicContact CG2-CG2 4.41Å; I297-V308 HydrophobicContact CD1-CG2 3.97Å; A304-V308 PolarHBondContact O-N 3.5Å; T305-V308 PolarHBondContact O-N 2.78Å; V308-Y310 VanDerWaalsContact C-N 3.32Å; V308-Y310 PolarHBondContact O-N 2.96Å; V308-A311 WeakPolarHBondContact O-CB 3.37Å; V308-A311 PolarHBondContact O-N 2.67Å; V308-L312 HydrophobicContact CG1-CD1 4.37Å; V308-L312 PolarHBondContact O-N 2.81Å; V308-L312 VanDerWaalsContact O-N 3.13Å
309L89.6Confident82.9Confident2 Ų256 Ų561%0.0128%0.281CS..Hα-helixtrans-68.7-32.7-176.6-64.2176.7000112.8I216 V220 M234 F238 L244 L247 T305 L306 F313I216-L309 HydrophobicContact CG2-CB 3.7Å; I216-L309 HydrophobicContact CG2-CD1 4.41Å; V220-L309 HydrophobicContact CG2-CD2 4.4Å; M234-L309 HydrophobicContact CE-CD1 4Å; M234-L309 HydrophobicContact CG-CD1 3.55Å; M234-L309 HydrophobicContact SD-CD1 3.69Å; F238-L309 HydrophobicContact CD1-CD2 4.07Å; F238-L309 HydrophobicContact CD2-CD1 3.97Å; F238-L309 HydrophobicContact CE1-CD1 4.26Å; F238-L309 HydrophobicContact CE1-CD2 3.5Å; F238-L309 VanDerWaalsContact CE1-CD2 3.5Å; F238-L309 HydrophobicContact CE1-CG 4.45Å; F238-L309 HydrophobicContact CE2-CD1 3.58Å; F238-L309 HydrophobicContact CE2-CD2 4.32Å; F238-L309 HydrophobicContact CG-CD1 4.44Å; F238-L309 HydrophobicContact CZ-CD1 3.72Å; F238-L309 HydrophobicContact CZ-CD2 3.62Å; F238-L309 HydrophobicContact CZ-CG 4.32Å; L244-L309 HydrophobicContact CD1-CD2 4.3Å; L247-L309 HydrophobicContact CD2-CD2 3.82Å; T305-L309 HydrophobicContact CG2-CD1 3.96Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 VanDerWaalsContact O-CG 3.3Å; T305-L309 WeakPolarHBondContact O-CG 3.23Å; T305-L309 PolarHBondContact O-N 3.27Å; T305-L309 VanDerWaalsContact O-N 3.08Å; L306-L309 PolarHBondContact O-N 3.33Å; L309-F313 VanDerWaalsContact O-CB 3.32Å; L309-F313 WeakPolarHBondContact O-CB 3.34Å; L309-F313 PolarHBondContact O-N 2.89Å
310Y86.4Confident82.5Confident68 Ų6854.7 Ų54.727%0.26727%0.266SS..Hα-helixtrans-69.9-38.9174.7-179.3-105.1000112P197 I198 I216 L306 K307 V308 L312 F313 K314P197-Y310 HydrophobicContact CB-CE1 4.28Å; I198-Y310 HydrophobicContact CD1-CD1 3.76Å; I198-Y310 HydrophobicContact CD1-CD2 4.27Å; I198-Y310 HydrophobicContact CD1-CE1 4.46Å; I198-Y310 HydrophobicContact CD1-CG 3.65Å; I198-Y310 HydrophobicContact CG1-CD1 4.19Å; I198-Y310 HydrophobicContact CG1-CG 4.4Å; I216-Y310 HydrophobicContact CD1-CD2 4.1Å; L306-Y310 WeakPolarHBondContact O-CB 3.24Å; L306-Y310 PolarHBondContact O-N 2.73Å; K307-Y310 PolarHBondContact O-N 2.91Å; V308-Y310 VanDerWaalsContact C-N 3.32Å; V308-Y310 PolarHBondContact O-N 2.96Å; Y310-L312 VanDerWaalsContact C-N 3.34Å; Y310-L312 PolarHBondContact O-N 2.94Å; Y310-F313 HydrophobicContact CD2-CD1 4.28Å; Y310-F313 HydrophobicContact CE2-CD1 4.35Å; Y310-F313 PolarHBondContact O-N 3.03Å; Y310-K314 HydrophobicContact CE1-CD 4.39Å; Y310-K314 WeakPolarHBondContact O-CB 3.34Å; Y310-K314 PolarHBondContact O-N 3.09Å
311A85.9Confident82.1Confident32 Ų3252.8 Ų52.826%0.26426%0.258SS..Hα-helixtrans-58.9-46.8174.200000111.2L287 K307 V308 K314 K315L287-A311 HydrophobicContact CD2-CB 4.44Å; K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 2.75Å; V308-A311 WeakPolarHBondContact O-CB 3.37Å; V308-A311 PolarHBondContact O-N 2.67Å; A311-K314 PolarHBondContact O-N 2.92Å; A311-K315 PolarHBondContact O-N 2.83Å
312L88.6Confident81.9Confident1 Ų152.3 Ų52.31%0.00525%0.254CS..Hα-helixtrans-61.5-46.2173.4-73.1171.1000112.3L244 L247 I248 L251 L282 L287 V308 Y310 K314 K315 H316L244-L312 HydrophobicContact CD1-CD1 4.04Å; L247-L312 HydrophobicContact CD2-CD1 4.03Å; L247-L312 HydrophobicContact CG-CD1 4.46Å; I248-L312 HydrophobicContact CG1-CD1 4.23Å; I248-L312 HydrophobicContact CG1-CD2 4.37Å; L251-L312 HydrophobicContact CD1-CB 4.02Å; L251-L312 HydrophobicContact CD1-CD1 4.4Å; L251-L312 HydrophobicContact CD1-CD2 3.85Å; L251-L312 HydrophobicContact CD1-CG 4.33Å; L282-L312 HydrophobicContact CD2-CD1 4.3Å; L282-L312 HydrophobicContact CD2-CD2 3.61Å; L282-L312 HydrophobicContact CD2-CG 4.01Å; L287-L312 HydrophobicContact CD1-CD2 3.88Å; V308-L312 HydrophobicContact CG1-CD1 4.37Å; V308-L312 PolarHBondContact O-N 2.81Å; V308-L312 VanDerWaalsContact O-N 3.13Å; Y310-L312 VanDerWaalsContact C-N 3.34Å; Y310-L312 PolarHBondContact O-N 2.94Å; L312-K314 PolarHBondContact O-N 3.28Å; L312-K315 PolarHBondContact O-N 3.09Å; L312-H316 PolarHBondContact O-CD2 3.45Å; L312-H316 VanDerWaalsContact O-CD2 3.26Å; L312-H316 PolarHBondContact O-N 2.94Å; L312-H316 VanDerWaalsContact O-N 3.1Å
313F87.4Confident81.8Confident32 Ų3252.9 Ų52.914%0.1425%0.254CS..Hα-helixtrans-57.6-48.4176.2173.4-101.5000111.5I216 F219 L309 Y310 K315 H316 K317I216-F313 HydrophobicContact CG1-CB 4.39Å; I216-F313 HydrophobicContact CG1-CG 4.35Å; F219-F313 HydrophobicContact CB-CD2 3.62Å; F219-F313 HydrophobicContact CB-CE2 3.92Å; F219-F313 HydrophobicContact CD1-CB 4.22Å; F219-F313 AromaticContact CD1-CD2 3.9Å; F219-F313 HydrophobicContact CD1-CD2 3.9Å; F219-F313 AromaticContact CD2-CD2 3.85Å; F219-F313 HydrophobicContact CD2-CD2 3.85Å; F219-F313 HydrophobicContact CD2-CE2 4.31Å; F219-F313 HydrophobicContact CE1-CB 4.31Å; F219-F313 HydrophobicContact CE2-CD2 4.46Å; F219-F313 AromaticContact CG-CD2 3.52Å; F219-F313 HydrophobicContact CG-CD2 3.52Å; F219-F313 HydrophobicContact CG-CE2 4.18Å; L309-F313 VanDerWaalsContact O-CB 3.32Å; L309-F313 WeakPolarHBondContact O-CB 3.34Å; L309-F313 PolarHBondContact O-N 2.89Å; Y310-F313 HydrophobicContact CD2-CD1 4.28Å; Y310-F313 HydrophobicContact CE2-CD1 4.35Å; Y310-F313 PolarHBondContact O-N 3.03Å; F313-K315 PolarHBondContact O-N 2.99Å; F313-H316 CarbonylContact O-C 3.56Å; F313-H316 PolarHBondContact O-N 2.99Å; F313-K317 HydrophobicContact CE1-CD 3.79Å; F313-K317 HydrophobicContact CE1-CG 4.3Å; F313-K317 HydrophobicContact CE2-CG 4.24Å; F313-K317 HydrophobicContact CZ-CD 3.7Å; F313-K317 HydrophobicContact CZ-CG 3.89Å; F313-K317 WeakPolarHBondContact O-CA 2.93Å; F313-K317 VanDerWaalsContact O-CB 3.28Å; F313-K317 WeakPolarHBondContact O-CB 3.39Å; F313-K317 PolarHBondContact O-N 3.12Å
314K84.2Confident81.8Confident137 Ų13753.7 Ų53.760%0.59625%0.254SS*.Hα-helixtrans-62.6-44.1-177.7-174.3179.8176.8-176.20111.7Y310 A311 L312 H316Y310-K314 HydrophobicContact CE1-CD 4.39Å; Y310-K314 WeakPolarHBondContact O-CB 3.34Å; Y310-K314 PolarHBondContact O-N 3.09Å; A311-K314 PolarHBondContact O-N 2.92Å; L312-K314 PolarHBondContact O-N 3.28Å; K314-H316 VanDerWaalsContact C-N 3.34Å; K314-H316 PolarHBondContact O-N 2.98Å
315K84.9Confident81.4Confident76 Ų7657.1 Ų57.133%0.3327%0.269SS..Hα-helixtrans-64.3-36.7178.2-176.3178.8179.2-169.80112.6E252 I285 L287 A311 L312 F313E252-K315 WeakPolarHBondContact OE1-CE 3.1Å; E252-K315 IonicContact OE1-NZ 2.68Å; E252-K315 PolarHBondContact OE1-NZ 3.36Å; E252-K315 IonicContact OE2-NZ 3.99Å; I285-K315 PolarHBondContact O-NZ 2.84Å; L287-K315 HydrophobicContact CD1-CB 4.28Å; L287-K315 HydrophobicContact CD1-CD 3.53Å; L287-K315 HydrophobicContact CD2-CB 4.22Å; L287-K315 HydrophobicContact CD2-CD 3.97Å; L287-K315 HydrophobicContact CG-CD 3.74Å; A311-K315 PolarHBondContact O-N 2.83Å; L312-K315 PolarHBondContact O-N 3.09Å; F313-K315 PolarHBondContact O-N 2.99Å
316H83.1Confident80.9Confident2 Ų260.7 Ų60.71%0.00929%0.286CS..Hα-helixtrans-110.77.7-171.1-63.2-91.6000114.8F219 L251 E252 L312 F313 K314 S318 R319F219-H316 HydrophobicContact CE2-CB 4.16Å; F219-H316 HydrophobicContact CZ-CB 3.89Å; L251-H316 HydrophobicContact CD2-CB 3.91Å; L251-H316 PolarHBondContact O-CE1 3.23Å; E252-H316 IonicContact OE1-CE1 3.19Å; E252-H316 PolarHBondContact OE1-CE1 3.41Å; E252-H316 IonicContact OE1-NE2 3.84Å; E252-H316 PolarHBondContact OE1-NE2 2.94Å; E252-H316 VanDerWaalsContact OE1-NE2 3.1Å; L312-H316 PolarHBondContact O-CD2 3.45Å; L312-H316 VanDerWaalsContact O-CD2 3.26Å; L312-H316 PolarHBondContact O-N 2.94Å; L312-H316 VanDerWaalsContact O-N 3.1Å; F313-H316 CarbonylContact O-C 3.56Å; F313-H316 PolarHBondContact O-N 2.99Å; K314-H316 VanDerWaalsContact C-N 3.34Å; K314-H316 PolarHBondContact O-N 2.98Å; H316-S318 PolarHBondContact O-N 3.49Å; H316-R319 PolarHBondContact O-N 3.44Å
317K72.7Confident80.4Confident144 Ų14465.2 Ų65.263%0.62631%0.307SS*.THydrogen-bonded Turntrans-58.9-30.6-179.9-168.7-179.9176.7-172.10112.8F313F313-K317 HydrophobicContact CE1-CD 3.79Å; F313-K317 HydrophobicContact CE1-CG 4.3Å; F313-K317 HydrophobicContact CE2-CG 4.24Å; F313-K317 HydrophobicContact CZ-CD 3.7Å; F313-K317 HydrophobicContact CZ-CG 3.89Å; F313-K317 WeakPolarHBondContact O-CA 2.93Å; F313-K317 VanDerWaalsContact O-CB 3.28Å; F313-K317 WeakPolarHBondContact O-CB 3.39Å; F313-K317 PolarHBondContact O-N 3.12Å
318S57Low80Confident122 Ų12269.1 Ų69.185%0.85333%0.326SS*.THydrogen-bonded Turntrans-963.4-175.5-41.70000114.1H316H316-S318 PolarHBondContact O-N 3.49Å
319R51.5Low79.2Confident210 Ų21075.1 Ų75.179%0.79235%0.354SS*.  trans-115.60179.3-73.8-175.2176.7-178.31.1111.4K223 H316K223-R319 PolarHBondContact NZ-OXT 3.27Å; H316-R319 PolarHBondContact O-N 3.44Å

Retrieved 319 of 319 residues in 2374.3 ms (Link to these results)