A0A087Y299_POEFO Loading...

Corticotropin releasing hormone receptor 2

AlphaFold DB , UniProt , Accession A0A087Y299, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 414 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
1M31.4Very low35.2Very low223 Ų22397.4 Ų97.4100%1.09956%0.557SS**  0129.50-82.9172178.700106.9
2D28.1Very low35.1Very low123 Ų123103.6 Ų103.666%0.65858%0.577SS**  trans-61.1146.9-164.4-64.1-48000113.8S4 V5D2-S4 WeakPolarHBondContact CB-OG 3.43Å; D2-S4 PolarHBondContact O-N 3.43Å; D2-V5 PolarHBondContact O-N 3.4Å
3A33.3Very low35.6Very low82 Ų82100.1 Ų100.168%0.67856%0.556SS**Hα-helixtrans-54.7-21.7177.700000113.5Y6A3-Y6 WeakPolarHBondContact O-CB 3.32Å; A3-Y6 PolarHBondContact O-N 3.32Å
4S33Very low36.2Very low74 Ų74103.4 Ų103.452%0.51757%0.565SS.*Hα-helixtrans-71.2-25.8175.251.80000114.2D2 I8D2-S4 WeakPolarHBondContact CB-OG 3.43Å; D2-S4 PolarHBondContact O-N 3.43Å; S4-I8 VanDerWaalsContact O-CD1 3.24Å; S4-I8 WeakPolarHBondContact O-CD1 3.48Å; S4-I8 WeakPolarHBondContact O-CG1 3.29Å
5V35.3Very low36.6Very low65 Ų65109.2 Ų109.239%0.39459%0.587SS.*Hα-helixtrans-78.1-28.2176.4179.80000110.8D2 I8 I9D2-V5 PolarHBondContact O-N 3.4Å; V5-I8 PolarHBondContact O-N 2.65Å; V5-I9 HydrophobicContact CG1-CD1 3.8Å; V5-I9 HydrophobicContact CG1-CG1 4.33Å; V5-I9 WeakPolarHBondContact O-CG1 3.32Å; V5-I9 PolarHBondContact O-N 3.13Å; V5-I9 VanDerWaalsContact O-N 3.08Å
6Y39.5Very low37.3Very low75 Ų75107 Ų10729%0.29457%0.574SS.*Hα-helixtrans-66.7-43.8179.2-139.5-92.4000112A3 L10 F28A3-Y6 WeakPolarHBondContact O-CB 3.32Å; A3-Y6 PolarHBondContact O-N 3.32Å; Y6-L10 HydrophobicContact CD1-CD1 3.93Å; Y6-L10 HydrophobicContact CE1-CD1 4.22Å; Y6-L10 WeakPolarHBondContact O-CB 3.48Å; Y6-L10 PolarHBondContact O-N 3.34Å; Y6-F28 HydrophobicContact CD2-CE1 4.29Å; Y6-F28 HydrophobicContact CD2-CE2 4.36Å; Y6-F28 HydrophobicContact CD2-CZ 4.03Å; Y6-F28 AromaticContact CE2-CD1 3.75Å; Y6-F28 HydrophobicContact CE2-CD1 3.75Å; Y6-F28 AromaticContact CE2-CD2 3.88Å; Y6-F28 HydrophobicContact CE2-CD2 3.88Å; Y6-F28 AromaticContact CE2-CE1 3.56Å; Y6-F28 HydrophobicContact CE2-CE1 3.56Å; Y6-F28 AromaticContact CE2-CE2 3.71Å; Y6-F28 HydrophobicContact CE2-CE2 3.71Å; Y6-F28 AromaticContact CE2-CG 3.91Å; Y6-F28 HydrophobicContact CE2-CG 3.91Å; Y6-F28 AromaticContact CE2-CZ 3.54Å; Y6-F28 HydrophobicContact CE2-CZ 3.54Å
7D33.8Very low38.5Very low124 Ų124107.7 Ų107.766%0.66358%0.578SS**Hα-helixtrans-70.6-29.7176.9-73.9-27.3000112.6G11D7-G11 PolarHBondContact O-N 2.72Å
8I35.8Very low40Very low116 Ų116102.8 Ų102.860%0.59555%0.553SS**Hα-helixtrans-74.1-41.7178.1-66.4168.4000111.3S4 V5 L10 G11S4-I8 VanDerWaalsContact O-CD1 3.24Å; S4-I8 WeakPolarHBondContact O-CD1 3.48Å; S4-I8 WeakPolarHBondContact O-CG1 3.29Å; V5-I8 PolarHBondContact O-N 2.65Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.25Å; I8-G11 PolarHBondContact O-N 3.35Å
9I38.6Very low41.1Very low77 Ų77100.7 Ų100.740%0.39555%0.548SS..Hα-helixtrans-68.7-33.5177.2-65.7171.6000111.1V5 G11 E12 L13V5-I9 HydrophobicContact CG1-CD1 3.8Å; V5-I9 HydrophobicContact CG1-CG1 4.33Å; V5-I9 WeakPolarHBondContact O-CG1 3.32Å; V5-I9 PolarHBondContact O-N 3.13Å; V5-I9 VanDerWaalsContact O-N 3.08Å; I9-G11 VanDerWaalsContact C-N 3.26Å; I9-G11 PolarHBondContact O-N 3.33Å; I9-E12 PolarHBondContact O-N 3.26Å; I9-L13 HydrophobicContact CG2-CD1 4.06Å; I9-L13 VanDerWaalsContact O-CD1 3.25Å; I9-L13 WeakPolarHBondContact O-CD1 3.08Å
10L41.5Very low42.3Very low64 Ų6499.6 Ų99.634%0.33554%0.54SS..Hα-helixtrans-68.9-21.2174.2-97.3150.9000113.8Y6 I8 R66Y6-L10 HydrophobicContact CD1-CD1 3.93Å; Y6-L10 HydrophobicContact CE1-CD1 4.22Å; Y6-L10 WeakPolarHBondContact O-CB 3.48Å; Y6-L10 PolarHBondContact O-N 3.34Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.25Å; L10-R66 VanDerWaalsContact CD2-NH1 3.33Å
11G36.4Very low43.3Very low48 Ų4896 Ų9650%0.49552%0.521SS..Hα-helixtrans-78-26.6175.900000114.4D7 I8 I9D7-G11 PolarHBondContact O-N 2.72Å; I8-G11 PolarHBondContact O-N 3.35Å; I9-G11 VanDerWaalsContact C-N 3.26Å; I9-G11 PolarHBondContact O-N 3.33Å
12E34.6Very low45Very low172 Ų17290 Ų9080%0.80449%0.49SS*.Hα-helixtrans-91.6-7.9-179.6-79.7-175.7155.500114.1I9 E14I9-E12 PolarHBondContact O-N 3.26Å; E12-E14 PolarHBondContact O-N 3.04Å
13L41.5Very low46.6Very low58 Ų5890.4 Ų90.430%0.30449%0.488SS..  trans-95.838.6179.6-93.195.2000113.1I9 E15 L16 L20I9-L13 HydrophobicContact CG2-CD1 4.06Å; I9-L13 VanDerWaalsContact O-CD1 3.25Å; I9-L13 WeakPolarHBondContact O-CD1 3.08Å; L13-E15 PolarHBondContact O-N 3.39Å; L13-L16 HydrophobicContact CB-CD1 4.04Å; L13-L16 HydrophobicContact CD2-CB 4.14Å; L13-L16 HydrophobicContact CD2-CD1 3.55Å; L13-L16 HydrophobicContact CD2-CD2 4.26Å; L13-L16 HydrophobicContact CD2-CG 4.18Å; L13-L16 HydrophobicContact CG-CD1 3.57Å; L13-L16 PolarHBondContact O-N 2.94Å; L13-L20 HydrophobicContact CD2-CD2 4.16Å
14E43.7Very low48.1Very low146 Ų14691.8 Ų91.868%0.68248%0.479SS*.THydrogen-bonded Turntrans-67.8-5.6-169.5-132173.5-17600115.3E12E12-E14 PolarHBondContact O-N 3.04Å
15E42.9Very low49.7Very low191 Ų19189.4 Ų89.489%0.89346%0.459SS*.THydrogen-bonded Turntrans-122.712.8179.6-70.5-165.1161.100115.1L13L13-E15 PolarHBondContact O-N 3.39Å
16L47.5Very low51Low74 Ų7489.9 Ų89.939%0.38746%0.46SS..  trans-93128.2-169-90.4118.8000116.2L13 C18 L20L13-L16 HydrophobicContact CB-CD1 4.04Å; L13-L16 HydrophobicContact CD2-CB 4.14Å; L13-L16 HydrophobicContact CD2-CD1 3.55Å; L13-L16 HydrophobicContact CD2-CD2 4.26Å; L13-L16 HydrophobicContact CD2-CG 4.18Å; L13-L16 HydrophobicContact CG-CD1 3.57Å; L13-L16 PolarHBondContact O-N 2.94Å; L16-C18 PolarHBondContact O-N 2.78Å; L16-L20 HydrophobicContact CD2-CB 3.7Å; L16-L20 HydrophobicContact CD2-CD1 4.01Å; L16-L20 HydrophobicContact CD2-CD2 3.32Å; L16-L20 HydrophobicContact CD2-CG 3.81Å
17N57.9Low52.1Low119 Ų11989.4 Ų89.464%0.63646%0.464SS*.  trans-38.5130.4168.9-151.93.2000110.8S19 L20N17-S19 PolarHBondContact ND2-OG 2.67Å; N17-S19 PolarHBondContact O-N 2.91Å; N17-L20 PolarHBondContact O-N 3.18Å
18C64.7Low53.3Low19 Ų1988.1 Ų88.113%0.12845%0.453CS..Hα-helixtrans-57.5-22.7-172.7-152.30000112.6L16 I21 E22 T48 C54L16-C18 PolarHBondContact O-N 2.78Å; C18-I21 PolarHBondContact O-N 3.35Å; C18-E22 PolarHBondContact O-N 3.26Å; C18-T48 PolarHBondContact SG-OG1 2.92Å; C18-C54 WeakPolarHBondContact CA-SG 3.31Å; C18-C54 HydrophobicContact CB-CB 3.85Å; C18-C54 WeakPolarHBondContact CB-SG 2.99Å; C18-C54 WeakPolarHBondContact SG-CB 3.3Å; C18-C54 CovalentContact SG-SG 2.04Å; C18-C54 PolarHBondContact SG-SG 3.1Å
19S61Low54.3Low64 Ų6488.4 Ų88.445%0.44845%0.448SS..Hα-helixtrans-65.9-29.4172.554.30000115.2N17 H23N17-S19 PolarHBondContact ND2-OG 2.67Å; N17-S19 PolarHBondContact O-N 2.91Å; S19-H23 PolarHBondContact O-N 3.31Å; S19-H23 VanDerWaalsContact O-N 3.16Å
20L65.1Low55.1Low77 Ų7791.6 Ų91.640%0.40346%0.461SS..Hα-helixtrans-78.1-33.2178.2-152.5110.3000111.6L13 L16 N17 E22 H23 F24L13-L20 HydrophobicContact CD2-CD2 4.16Å; L16-L20 HydrophobicContact CD2-CB 3.7Å; L16-L20 HydrophobicContact CD2-CD1 4.01Å; L16-L20 HydrophobicContact CD2-CD2 3.32Å; L16-L20 HydrophobicContact CD2-CG 3.81Å; N17-L20 PolarHBondContact O-N 3.18Å; L20-E22 VanDerWaalsContact C-N 3.35Å; L20-H23 PolarHBondContact O-N 3.17Å; L20-F24 WeakPolarHBondContact O-CB 3.45Å; L20-F24 PolarHBondContact O-N 2.85Å
21I64.8Low55.6Low25 Ų2594.8 Ų94.813%0.12848%0.478CS..Hα-helixtrans-65.3-41.9174.4-66.9172.4000110.1C18 F24 Q25 C54 P56C18-I21 PolarHBondContact O-N 3.35Å; I21-F24 PolarHBondContact O-N 3.42Å; I21-Q25 WeakPolarHBondContact O-CB 3.42Å; I21-Q25 WeakPolarHBondContact O-CG 3.32Å; I21-Q25 PolarHBondContact O-N 3.38Å; I21-C54 HydrophobicContact CD1-CB 4.41Å; I21-P56 HydrophobicContact CG2-CB 4.27Å
22E65.3Low56.2Low98 Ų9894.4 Ų94.446%0.45847%0.471SS..Hα-helixtrans-59-50.6173.5-170.5172.9-158.700111.2C18 L20 F24 Q25 D26 V46C18-E22 PolarHBondContact O-N 3.26Å; L20-E22 VanDerWaalsContact C-N 3.35Å; E22-F24 VanDerWaalsContact C-N 3.34Å; E22-F24 PolarHBondContact O-N 2.57Å; E22-Q25 PolarHBondContact O-N 3.32Å; E22-D26 PolarHBondContact O-N 2.95Å; E22-V46 HydrophobicContact CB-CG2 4.38Å; E22-V46 HydrophobicContact CG-CG2 4.45Å
23H63.2Low57Low130 Ų13089.7 Ų89.760%0.60246%0.456SS*.Hα-helixtrans-62.5-38.3179.6-162.954.3000113.4S19 L20 T27S19-H23 PolarHBondContact O-N 3.31Å; S19-H23 VanDerWaalsContact O-N 3.16Å; L20-H23 PolarHBondContact O-N 3.17Å; H23-T27 PolarHBondContact O-N 3.42Å; H23-T27 VanDerWaalsContact O-N 3.11Å; H23-T27 PolarHBondContact O-OG1 3Å
24F64.9Low57.3Low112 Ų11294.7 Ų94.749%0.49148%0.483SS..Hα-helixtrans-69.8-39.2178.1-146.5-89.9000111.9L20 I21 E22 F28L20-F24 WeakPolarHBondContact O-CB 3.45Å; L20-F24 PolarHBondContact O-N 2.85Å; I21-F24 PolarHBondContact O-N 3.42Å; E22-F24 VanDerWaalsContact C-N 3.34Å; E22-F24 PolarHBondContact O-N 2.57Å; F24-F28 PolarHBondContact O-N 2.97Å; F24-F28 VanDerWaalsContact O-N 3.15Å
25Q64.9Low57.3Low23 Ų2392 Ų9211%0.10749%0.486CS..Hα-helixtrans-65.4-43.7174.5-75.3-173.3-68.300111.1I21 E22 T27 F28 Y29 R57I21-Q25 WeakPolarHBondContact O-CB 3.42Å; I21-Q25 WeakPolarHBondContact O-CG 3.32Å; I21-Q25 PolarHBondContact O-N 3.38Å; E22-Q25 PolarHBondContact O-N 3.32Å; Q25-T27 PolarHBondContact O-N 2.93Å; Q25-F28 PolarHBondContact O-N 3.32Å; Q25-Y29 VanDerWaalsContact O-CD2 3.26Å; Q25-Y29 WeakPolarHBondContact O-CD2 3.4Å; Q25-Y29 PolarHBondContact O-N 3.37Å; Q25-R57 PolarHBondContact NE2-O 3.03Å; Q25-R57 VanDerWaalsContact OE1-N 3.15Å
26D63.8Low57.4Low76 Ų7688.8 Ų88.841%0.40647%0.474SS..Hα-helixtrans-60.3-44178.2-74-20.2000112.1E22 F28 Y29 E30E22-D26 PolarHBondContact O-N 2.95Å; D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 3.06Å; D26-Y29 PolarHBondContact O-N 2.94Å; D26-E30 PolarHBondContact O-N 3.35Å
27T62.4Low57.1Low64 Ų6493.5 Ų93.539%0.39350%0.498SS..Hα-helixtrans-64.1-33.8177.5-450000112.2H23 Q25 N31H23-T27 PolarHBondContact O-N 3.42Å; H23-T27 VanDerWaalsContact O-N 3.11Å; H23-T27 PolarHBondContact O-OG1 3Å; Q25-T27 PolarHBondContact O-N 2.93Å; T27-N31 PolarHBondContact O-N 2.81Å; T27-N31 PolarHBondContact O-ND2 3.48Å
28F59.6Low56.6Low97 Ų9792.7 Ų92.743%0.42550%0.502SS..Hα-helixtrans-75.8-38178.7-147.8-89.6000112.1Y6 F24 Q25 D26 N31 A32Y6-F28 HydrophobicContact CD2-CE1 4.29Å; Y6-F28 HydrophobicContact CD2-CE2 4.36Å; Y6-F28 HydrophobicContact CD2-CZ 4.03Å; Y6-F28 AromaticContact CE2-CD1 3.75Å; Y6-F28 HydrophobicContact CE2-CD1 3.75Å; Y6-F28 AromaticContact CE2-CD2 3.88Å; Y6-F28 HydrophobicContact CE2-CD2 3.88Å; Y6-F28 AromaticContact CE2-CE1 3.56Å; Y6-F28 HydrophobicContact CE2-CE1 3.56Å; Y6-F28 AromaticContact CE2-CE2 3.71Å; Y6-F28 HydrophobicContact CE2-CE2 3.71Å; Y6-F28 AromaticContact CE2-CG 3.91Å; Y6-F28 HydrophobicContact CE2-CG 3.91Å; Y6-F28 AromaticContact CE2-CZ 3.54Å; Y6-F28 HydrophobicContact CE2-CZ 3.54Å; F24-F28 PolarHBondContact O-N 2.97Å; F24-F28 VanDerWaalsContact O-N 3.15Å; Q25-F28 PolarHBondContact O-N 3.32Å; D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 3.06Å; F28-N31 PolarHBondContact O-N 3.27Å; F28-A32 WeakPolarHBondContact O-CB 3.35Å; F28-A32 PolarHBondContact O-N 3.45Å
29Y56.9Low55.6Low122 Ų12295.7 Ų95.748%0.47853%0.528SS..Hα-helixtrans-71.8-35176.8-86.6-76.6000112.7Q25 D26 N31 A32 S33Q25-Y29 VanDerWaalsContact O-CD2 3.26Å; Q25-Y29 WeakPolarHBondContact O-CD2 3.4Å; Q25-Y29 PolarHBondContact O-N 3.37Å; D26-Y29 PolarHBondContact O-N 2.94Å; Y29-N31 VanDerWaalsContact C-N 3.3Å; Y29-N31 PolarHBondContact O-N 3.31Å; Y29-A32 PolarHBondContact O-N 3.47Å; Y29-S33 WeakPolarHBondContact O-CB 3.48Å; Y29-S33 PolarHBondContact O-N 2.96Å
30E54.8Low55.4Low145 Ų145101.3 Ų101.368%0.67855%0.553SS**Hα-helixtrans-59.2-41.4170.3-86.6-171.8151.200111.5D26 S33D26-E30 PolarHBondContact O-N 3.35Å; E30-S33 PolarHBondContact O-N 2.85Å; E30-S33 PolarHBondContact O-OG 2.85Å
31N51Low55.2Low131 Ų13199.7 Ų99.770%0.70156%0.556SS**Hα-helixtrans-73.1-29176.6-74.2-35.1000113.5T27 F28 Y29T27-N31 PolarHBondContact O-N 2.81Å; T27-N31 PolarHBondContact O-ND2 3.48Å; F28-N31 PolarHBondContact O-N 3.27Å; Y29-N31 VanDerWaalsContact C-N 3.3Å; Y29-N31 PolarHBondContact O-N 3.31Å
32A49.5Very low55.8Low40 Ų40103.5 Ų103.533%0.33158%0.575SS.*Hα-helixtrans-80.5-19.5175.500000113.6F28 Y29 L34 A35F28-A32 WeakPolarHBondContact O-CB 3.35Å; F28-A32 PolarHBondContact O-N 3.45Å; Y29-A32 PolarHBondContact O-N 3.47Å; A32-L34 PolarHBondContact O-N 3.5Å; A32-L34 VanDerWaalsContact O-N 3.13Å; A32-A35 PolarHBondContact O-N 2.86Å
33S51Low56.6Low72 Ų72104.1 Ų104.150%0.50357%0.574SS.*THydrogen-bonded Turntrans-63.2-17.3-176.870.80000114.3Y29 E30Y29-S33 WeakPolarHBondContact O-CB 3.48Å; Y29-S33 PolarHBondContact O-N 2.96Å; E30-S33 PolarHBondContact O-N 2.85Å; E30-S33 PolarHBondContact O-OG 2.85Å
34L48.2Very low57.7Low164 Ų16498 Ų9886%0.85955%0.546SS*.THydrogen-bonded Turntrans-78.4-12172.4-97153.4000114.4A32A32-L34 PolarHBondContact O-N 3.5Å; A32-L34 VanDerWaalsContact O-N 3.13Å
35A43.9Very low58.6Low90 Ų9097.2 Ų97.274%0.74455%0.547SS*.THydrogen-bonded Turntrans-116.6-2.5-175.100000115.4A32A32-A35 PolarHBondContact O-N 2.86Å
36L45.3Very low59.5Low122 Ų12297.4 Ų97.464%0.63955%0.55SS**  trans-142.545.6-169.2-115.5153.5000114.1S38L36-S38 PolarHBondContact O-N 2.87Å
37L42Very low60.4Low173 Ų17396 Ų9691%0.90654%0.544SS*.  trans-67.635.6172.5-89.3166.2000114.5
38S45.4Very low61.3Low103 Ų10396.8 Ų96.872%0.7255%0.549SS*.  trans-160.878170680000112.9L36L36-S38 PolarHBondContact O-N 2.87Å
39A44.1Very low62.2Low82 Ų8293.3 Ų93.368%0.67854%0.535SS*.  trans-166.796.5150.300000109.3G41A39-G41 PolarHBondContact O-N 3.35Å
40D56.3Low62.9Low181 Ų18197.3 Ų97.397%0.96856%0.558SS**  trans-67.472.4159.7-89.8-32.4000108.5
41G62.5Low63.6Low44 Ų4493.9 Ų93.945%0.45454%0.543SS..  trans-87.1129.4170.600000109.2A39 Y43A39-G41 PolarHBondContact O-N 3.35Å; G41-Y43 VanDerWaalsContact O-CD1 3.3Å; G41-Y43 WeakPolarHBondContact O-CD1 3.21Å
42L77.5Confident64.5Low104 Ų10490.3 Ų90.355%0.54554%0.537SS..  trans-60144.9162.5-84.7103.2000109.2T60 N90L42-T60 HydrophobicContact CB-CG2 3.53Å; L42-T60 WeakPolarHBondContact O-CG2 3.4Å; L42-T60 PolarHBondContact O-N 3.48Å; L42-N90 VanDerWaalsContact CD2-O 3.26Å; L42-N90 WeakPolarHBondContact CD2-O 3.34Å
43Y82.3Confident65.9Low111 Ų11189.1 Ų89.144%0.43553%0.526SS..EExtended strand (participates in β ladder)trans-140.2150.6178.850.1-94000109.8G41 N45 R57 S58G41-Y43 VanDerWaalsContact O-CD1 3.3Å; G41-Y43 WeakPolarHBondContact O-CD1 3.21Å; Y43-N45 VanDerWaalsContact CD2-OD1 3.31Å; Y43-N45 WeakPolarHBondContact CD2-OD1 3.32Å; Y43-N45 WeakPolarHBondContact CE2-OD1 3.5Å; Y43-R57 HydrophobicContact CD2-CG 4.27Å; Y43-R57 VanDerWaalsContact CE2-CZ 3.41Å; Y43-R57 PolarHBondContact OH-NH2 3.21Å; Y43-S58 CarbonylContact C-O 3.59Å; Y43-S58 WeakPolarHBondContact CA-O 3.44Å; Y43-S58 WeakPolarHBondContact CB-O 3.16Å
44C84.5Confident67.4Low1 Ų186.6 Ų86.61%0.00751%0.509CS..EExtended strand (participates in β ladder)trans-87.7128.2169.5-63.30000109.8R57 S58 C87 G91 T92 W93C44-R57 VanDerWaalsContact O-CA 3.3Å; C44-R57 WeakPolarHBondContact O-CA 3.23Å; C44-R57 WeakPolarHBondContact O-CG 3.2Å; C44-S58 PolarHBondContact N-O 3.44Å; C44-S58 PolarHBondContact O-N 2.84Å; C44-S58 VanDerWaalsContact O-N 3.16Å; C44-C87 HydrophobicContact CB-CB 3.86Å; C44-C87 WeakPolarHBondContact CB-SG 3.25Å; C44-C87 WeakPolarHBondContact SG-CA 3.09Å; C44-C87 WeakPolarHBondContact SG-CB 3.46Å; C44-C87 CovalentContact SG-SG 2.02Å; C44-C87 PolarHBondContact SG-SG 3.36Å; C44-G91 VanDerWaalsContact SG-C 3.54Å; C44-T92 PolarHBondContact SG-O 3.02Å; C44-W93 HydrophobicContact CB-CD2 3.84Å; C44-W93 VanDerWaalsContact CB-CE2 3.46Å; C44-W93 HydrophobicContact CB-CE3 4.42Å; C44-W93 HydrophobicContact CB-CG 4.2Å; C44-W93 HydrophobicContact CB-CH2 4.38Å; C44-W93 HydrophobicContact CB-CZ2 3.76Å
45N84.5Confident69Low96 Ų9678.8 Ų78.851%0.51347%0.468SS..PPolyproline II helixtrans-70.6163.8179.8-73.8-12.8000113.1Y43 T47 W93Y43-N45 VanDerWaalsContact CD2-OD1 3.31Å; Y43-N45 WeakPolarHBondContact CD2-OD1 3.32Å; Y43-N45 WeakPolarHBondContact CE2-OD1 3.5Å; N45-T47 PolarHBondContact O-N 3.28Å; N45-W93 PolarHBondContact O-NE1 3.34Å
46V83.8Confident70.9Confident28 Ų2875.4 Ų75.417%0.1744%0.438CS..PPolyproline II helixtrans-60.3130.9172.7-1780000109.4E22 W55 R57E22-V46 HydrophobicContact CB-CG2 4.38Å; E22-V46 HydrophobicContact CG-CG2 4.45Å; V46-W55 VanDerWaalsContact CA-O 3.3Å; V46-W55 WeakPolarHBondContact CA-O 3.34Å; V46-R57 HydrophobicContact CG2-CB 4.09Å
47T83.3Confident72.7Confident47 Ų4772.4 Ų72.429%0.28842%0.418SS..EExtended strand (participates in β ladder)trans-141.9148.2176.359.80000111.8N45 W55 R85 W93N45-T47 PolarHBondContact O-N 3.28Å; T47-W55 PolarHBondContact N-O 3.36Å; T47-W55 WeakPolarHBondContact O-CB 3.45Å; T47-W55 PolarHBondContact O-N 3.47Å; T47-R85 PolarHBondContact OG1-NH1 3.31Å; T47-W93 PolarHBondContact OG1-NE1 2.77Å
48T80.3Confident74.6Confident80 Ų8065 Ų6549%0.49138%0.381SS..EExtended strand (participates in β ladder)trans-102.5141.1169.4-42.60000109.2C18 T53C18-T48 PolarHBondContact SG-OG1 2.92Å; T48-T53 WeakPolarHBondContact CA-O 3.33Å
49D79.7Confident76.4Confident24 Ų2462.5 Ų62.513%0.12836%0.364CS..  trans-88.9177.3174.173.72.9000112.9I51 G52 T53 I97 Y99D49-I51 PolarHBondContact O-N 3.46Å; D49-I51 VanDerWaalsContact O-N 3.17Å; D49-I51 WeakPolarHBondContact OD1-CA 3.33Å; D49-I51 PolarHBondContact OD1-N 3.39Å; D49-G52 PolarHBondContact O-N 3.28Å; D49-G52 VanDerWaalsContact O-N 3.17Å; D49-G52 PolarHBondContact OD1-N 2.88Å; D49-T53 PolarHBondContact N-O 3.41Å; D49-T53 VanDerWaalsContact N-O 3.12Å; D49-T53 WeakPolarHBondContact OD1-CA 3.43Å; D49-T53 WeakPolarHBondContact OD1-CB 3.18Å; D49-T53 PolarHBondContact OD1-N 3.5Å; D49-T53 WeakPolarHBondContact OD2-CB 3.38Å; D49-T53 PolarHBondContact OD2-OG1 3.36Å; D49-I97 HydrophobicContact CB-CD1 4.31Å; D49-Y99 PolarHBondContact OD2-OH 3.09Å
50E71.6Confident78.3Confident206 Ų20660.7 Ų60.796%0.96334%0.344SS*.THydrogen-bonded Turntrans-65-15.2179.9-62.3-176.2168.600113.7
51I69Low79.6Confident72 Ų7254 Ų5437%0.36932%0.318SS..THydrogen-bonded Turntrans-98.1-8.5-178.1-57.9169.4000110.8D49 P69 I72 Y99D49-I51 PolarHBondContact O-N 3.46Å; D49-I51 VanDerWaalsContact O-N 3.17Å; D49-I51 WeakPolarHBondContact OD1-CA 3.33Å; D49-I51 PolarHBondContact OD1-N 3.39Å; I51-P69 HydrophobicContact CG2-CG 4.37Å; I51-I72 HydrophobicContact CD1-CG2 4.46Å; I51-I72 HydrophobicContact CG2-CB 4.27Å; I51-I72 HydrophobicContact CG2-CD1 4.26Å; I51-I72 HydrophobicContact CG2-CG1 3.82Å; I51-I72 HydrophobicContact CG2-CG2 3.84Å; I51-Y99 HydrophobicContact CD1-CD2 4.49Å; I51-Y99 HydrophobicContact CD1-CE2 4.01Å
52G70.9Confident80.6Confident56 Ų5659.7 Ų59.758%0.57733%0.326SS*.  trans92.39.9-179.900000114.7D49D49-G52 PolarHBondContact O-N 3.28Å; D49-G52 VanDerWaalsContact O-N 3.17Å; D49-G52 PolarHBondContact OD1-N 2.88Å
53T77.7Confident81Confident16 Ų1659.5 Ų59.510%0.09832%0.324CS..  trans-78.1126.9176.1-45.50000110.3T48 D49 W55 P69 Y99T48-T53 WeakPolarHBondContact CA-O 3.33Å; D49-T53 PolarHBondContact N-O 3.41Å; D49-T53 VanDerWaalsContact N-O 3.12Å; D49-T53 WeakPolarHBondContact OD1-CA 3.43Å; D49-T53 WeakPolarHBondContact OD1-CB 3.18Å; D49-T53 PolarHBondContact OD1-N 3.5Å; D49-T53 WeakPolarHBondContact OD2-CB 3.38Å; D49-T53 PolarHBondContact OD2-OG1 3.36Å; T53-W55 HydrophobicContact CG2-CZ2 4.31Å; T53-P69 VanDerWaalsContact OG1-CG 3.28Å; T53-P69 WeakPolarHBondContact OG1-CG 3.43Å; T53-Y99 PolarHBondContact OG1-OH 2.94Å; T53-Y99 VanDerWaalsContact OG1-OH 3.11Å
54C81.9Confident81.2Confident19 Ų1955 Ų5513%0.12831%0.309CS..EExtended strand (participates in β ladder)trans-90122.6-179.2-171.60000112.4C18 I21 R66C18-C54 WeakPolarHBondContact CA-SG 3.31Å; C18-C54 HydrophobicContact CB-CB 3.85Å; C18-C54 WeakPolarHBondContact CB-SG 2.99Å; C18-C54 WeakPolarHBondContact SG-CB 3.3Å; C18-C54 CovalentContact SG-SG 2.04Å; C18-C54 PolarHBondContact SG-SG 3.1Å; I21-C54 HydrophobicContact CD1-CB 4.41Å; C54-R66 PolarHBondContact O-NE 2.92Å
55W83.2Confident81.2Confident0 Ų061.4 Ų61.40%034%0.338CS..EExtended strand (participates in β ladder)trans-101.8113.8177.1-6492.9000110V46 T47 T53 V64 R66 R85 W93 I97V46-W55 VanDerWaalsContact CA-O 3.3Å; V46-W55 WeakPolarHBondContact CA-O 3.34Å; T47-W55 PolarHBondContact N-O 3.36Å; T47-W55 WeakPolarHBondContact O-CB 3.45Å; T47-W55 PolarHBondContact O-N 3.47Å; T53-W55 HydrophobicContact CG2-CZ2 4.31Å; W55-V64 HydrophobicContact CE3-CB 4.2Å; W55-V64 HydrophobicContact CE3-CG1 4.02Å; W55-V64 HydrophobicContact CZ3-CB 4.24Å; W55-V64 HydrophobicContact CZ3-CG1 4.16Å; W55-V64 WeakPolarHBondContact CZ3-O 3.29Å; W55-R66 HydrophobicContact CE3-CG 4.22Å; W55-R66 HydrophobicContact CH2-CB 4.3Å; W55-R66 HydrophobicContact CH2-CG 4.4Å; W55-R66 HydrophobicContact CZ3-CB 4.3Å; W55-R66 HydrophobicContact CZ3-CG 3.96Å; W55-R85 VanDerWaalsContact CD1-NH1 3.28Å; W55-R85 HydrophobicContact CD2-CB 3.82Å; W55-R85 HydrophobicContact CD2-CG 4.39Å; W55-R85 HydrophobicContact CE3-CB 3.53Å; W55-R85 HydrophobicContact CE3-CG 4.48Å; W55-R85 HydrophobicContact CH2-CB 3.52Å; W55-R85 HydrophobicContact CZ2-CB 3.81Å; W55-R85 HydrophobicContact CZ3-CB 3.37Å; W55-W93 HydrophobicContact CB-CH2 4.19Å; W55-W93 HydrophobicContact CB-CZ2 4.02Å; W55-I97 HydrophobicContact CH2-CG2 4.12Å; W55-I97 HydrophobicContact CZ2-CG1 4.42Å; W55-I97 HydrophobicContact CZ2-CG2 3.52Å
56P83.3Confident81.1Confident18 Ų1858.8 Ų58.812%0.11732%0.321CS..  trans-74.3162.5-177.633.4-37000111.5I21 S58 V64 R66 W93I21-P56 HydrophobicContact CG2-CB 4.27Å; P56-S58 PolarHBondContact O-N 3.31Å; P56-V64 HydrophobicContact CG-CG1 4.05Å; P56-R66 VanDerWaalsContact CG-NH2 3.35Å; P56-W93 WeakPolarHBondContact O-CH2 3.11Å; P56-W93 VanDerWaalsContact O-CZ2 3.25Å; P56-W93 WeakPolarHBondContact O-CZ2 3.3Å
57R82.2Confident80.9Confident59 Ų5960.3 Ų60.322%0.22333%0.332CS..  trans-58.7134.2176.8-172.6178.5-179.8172.2-6.6111.1Q25 Y43 C44 V46Q25-R57 PolarHBondContact NE2-O 3.03Å; Q25-R57 VanDerWaalsContact OE1-N 3.15Å; Y43-R57 HydrophobicContact CD2-CG 4.27Å; Y43-R57 VanDerWaalsContact CE2-CZ 3.41Å; Y43-R57 PolarHBondContact OH-NH2 3.21Å; C44-R57 VanDerWaalsContact O-CA 3.3Å; C44-R57 WeakPolarHBondContact O-CA 3.23Å; C44-R57 WeakPolarHBondContact O-CG 3.2Å; V46-R57 HydrophobicContact CG2-CB 4.09Å
58S82.7Confident80.9Confident19 Ų1958.3 Ų58.313%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-141.2152.5-177.4-169.20000112.1Y43 C44 P56 V64Y43-S58 CarbonylContact C-O 3.59Å; Y43-S58 WeakPolarHBondContact CA-O 3.44Å; Y43-S58 WeakPolarHBondContact CB-O 3.16Å; C44-S58 PolarHBondContact N-O 3.44Å; C44-S58 PolarHBondContact O-N 2.84Å; C44-S58 VanDerWaalsContact O-N 3.16Å; P56-S58 PolarHBondContact O-N 3.31Å; S58-V64 WeakPolarHBondContact OG-CG2 3.21Å
59S83.1Confident80.8Confident50 Ų5055.6 Ų55.635%0.3530%0.303SS..EExtended strand (participates in β ladder)trans-73.5152.5173.962.40000111.2R62S59-R62 PolarHBondContact O-N 3.46Å; S59-R62 WeakPolarHBondContact OG-CD 3.43Å; S59-R62 WeakPolarHBondContact OG-CG 3.2Å; S59-R62 PolarHBondContact OG-NE 3.32Å
60T84.8Confident80.4Confident44 Ų4456.6 Ų56.627%0.2732%0.315SS..THydrogen-bonded Turntrans-52.1145.7174.246.50000113.6L42 R62 L88L42-T60 HydrophobicContact CB-CG2 3.53Å; L42-T60 WeakPolarHBondContact O-CG2 3.4Å; L42-T60 PolarHBondContact O-N 3.48Å; T60-R62 VanDerWaalsContact C-N 3.26Å; T60-R62 PolarHBondContact O-N 3.31Å; T60-L88 WeakPolarHBondContact CG2-O 3.22Å
61G82.1Confident80.2Confident41 Ų4153.8 Ų53.842%0.42330%0.296SS..THydrogen-bonded Turntrans75.37.6177.100000114.7C87 D89G61-C87 WeakPolarHBondContact CA-O 3.29Å; G61-C87 PolarHBondContact N-O 2.93Å; G61-D89 WeakPolarHBondContact CA-OD1 3.47Å; G61-D89 PolarHBondContact N-OD1 2.87Å
62R84.6Confident80.2Confident162 Ų16251.3 Ų51.361%0.61128%0.284SS*.PPolyproline II helixtrans-103141.4179-70.5-163.4178.4-175.3-0.7112.9S59 T60 C87S59-R62 PolarHBondContact O-N 3.46Å; S59-R62 WeakPolarHBondContact OG-CD 3.43Å; S59-R62 WeakPolarHBondContact OG-CG 3.2Å; S59-R62 PolarHBondContact OG-NE 3.32Å; T60-R62 VanDerWaalsContact C-N 3.26Å; T60-R62 PolarHBondContact O-N 3.31Å; R62-C87 PolarHBondContact O-N 3.24Å
63I85.9Confident79.6Confident100 Ų10056.6 Ų56.651%0.51330%0.299SS..EExtended strand (participates in β ladder)trans-89.3126.6167.7-57.9172.7000107.8Y84 E86I63-Y84 HydrophobicContact CG2-CD2 3.86Å; I63-Y84 HydrophobicContact CG2-CG 4.18Å; I63-E86 HydrophobicContact CG1-CB 4.44Å; I63-E86 HydrophobicContact CG1-CG 4.35Å
64V86.4Confident78.6Confident18 Ų1859.2 Ų59.211%0.10933%0.329CS..EExtended strand (participates in β ladder)trans-101.6131.8174.7-179.30000108.3W55 P56 S58 Y84 R85 W93W55-V64 HydrophobicContact CE3-CB 4.2Å; W55-V64 HydrophobicContact CE3-CG1 4.02Å; W55-V64 HydrophobicContact CZ3-CB 4.24Å; W55-V64 HydrophobicContact CZ3-CG1 4.16Å; W55-V64 WeakPolarHBondContact CZ3-O 3.29Å; P56-V64 HydrophobicContact CG-CG1 4.05Å; S58-V64 WeakPolarHBondContact OG-CG2 3.21Å; V64-Y84 CarbonylContact O-C 3.59Å; V64-Y84 VanDerWaalsContact O-CA 3.23Å; V64-Y84 WeakPolarHBondContact O-CA 3.37Å; V64-R85 PolarHBondContact N-O 3.32Å; V64-R85 PolarHBondContact O-N 2.91Å; V64-W93 HydrophobicContact CB-CH2 4.4Å; V64-W93 HydrophobicContact CB-CZ3 4.37Å; V64-W93 HydrophobicContact CG2-CH2 3.85Å; V64-W93 HydrophobicContact CG2-CZ3 4.01Å
65E84.1Confident77.6Confident135 Ų13561.6 Ų61.663%0.63134%0.343SS*.EExtended strand (participates in β ladder)trans-108.9137.9177.4-63-172-178.200110.4A83E65-A83 WeakPolarHBondContact CA-O 3.14Å
66R82.8Confident77Confident41 Ų4166.4 Ų66.416%0.15536%0.363CS..EExtended strand (participates in β ladder)trans-135.9145.4175.7-74.4-60.7-160.7179.40.6109.7L10 C54 W55 P56 S82 A83L10-R66 VanDerWaalsContact CD2-NH1 3.33Å; C54-R66 PolarHBondContact O-NE 2.92Å; W55-R66 HydrophobicContact CE3-CG 4.22Å; W55-R66 HydrophobicContact CH2-CB 4.3Å; W55-R66 HydrophobicContact CH2-CG 4.4Å; W55-R66 HydrophobicContact CZ3-CB 4.3Å; W55-R66 HydrophobicContact CZ3-CG 3.96Å; P56-R66 VanDerWaalsContact CG-NH2 3.35Å; R66-S82 CarbonylContact O-C 3.41Å; R66-S82 WeakPolarHBondContact O-CA 3.29Å; R66-S82 WeakPolarHBondContact O-CB 3.44Å; R66-A83 PolarHBondContact N-O 2.8Å; R66-A83 PolarHBondContact O-N 2.98Å; R66-A83 VanDerWaalsContact O-O 3.12Å
67P79.8Confident76.5Confident60 Ų6067.9 Ų67.939%0.3937%0.367SS..EExtended strand (participates in β ladder)trans-58.4147.6172.326.1-33.3000110.6
68C82Confident76Confident4 Ų467.5 Ų67.53%0.02737%0.369CS..PPolyproline II helixtrans-60.3139.5176.4-67.20000110.6A70 N78 R81 C102C68-A70 PolarHBondContact O-N 3.4Å; C68-N78 WeakPolarHBondContact CB-O 3.24Å; C68-R81 PolarHBondContact N-O 3.4Å; C68-R81 VanDerWaalsContact SG-C 3.59Å; C68-R81 PolarHBondContact SG-O 2.96Å; C68-C102 HydrophobicContact CB-CB 3.8Å; C68-C102 WeakPolarHBondContact CB-SG 3.24Å; C68-C102 WeakPolarHBondContact SG-CA 3.46Å; C68-C102 WeakPolarHBondContact SG-CB 3.41Å; C68-C102 CovalentContact SG-SG 2.03Å; C68-C102 PolarHBondContact SG-SG 3.02Å
69P78.9Confident75.8Confident23 Ų2369.5 Ų69.515%0.14938%0.381CS..PPolyproline II helixtrans-56.7138.7176.1-24.633.8000111.9I51 T53 Y71 I72 Y77 Y99I51-P69 HydrophobicContact CG2-CG 4.37Å; T53-P69 VanDerWaalsContact OG1-CG 3.28Å; T53-P69 WeakPolarHBondContact OG1-CG 3.43Å; P69-Y71 PolarHBondContact O-N 3.11Å; P69-I72 HydrophobicContact CB-CD1 4.42Å; P69-I72 HydrophobicContact CB-CG1 3.99Å; P69-I72 HydrophobicContact CG-CD1 4.31Å; P69-I72 HydrophobicContact CG-CG1 4.33Å; P69-Y77 WeakPolarHBondContact O-CB 3.49Å; P69-Y99 HydrophobicContact CG-CE1 4.47Å
70A72.4Confident75.5Confident45 Ų4572.7 Ų72.737%0.37240%0.398SS..SBendtrans-62.6-31.7178.600000112.5C68 K76 Y77 T79C68-A70 PolarHBondContact O-N 3.4Å; A70-K76 WeakPolarHBondContact O-CA 3.26Å; A70-Y77 PolarHBondContact O-N 2.89Å; A70-T79 HydrophobicContact CB-CG2 3.98Å
71Y66.2Low75.3Confident148 Ų14875 Ų7558%0.5840%0.403SS*.EExtended strand (participates in β ladder)trans-136.8130.4180-66.3-85.4000111.3P69 V75 K76P69-Y71 PolarHBondContact O-N 3.11Å; Y71-V75 WeakPolarHBondContact CA-O 3.28Å; Y71-K76 HydrophobicContact CD1-CB 4.41Å; Y71-K76 HydrophobicContact CE1-CB 4.09Å; Y71-K76 HydrophobicContact CE1-CG 4.2Å
72I69.1Low75.4Confident20 Ų2075.1 Ų75.110%0.10340%0.397CS..EExtended strand (participates in β ladder)trans-127.5118.8170.8-53.6177.2000106.9I51 P69 G74 V75 Y77I51-I72 HydrophobicContact CD1-CG2 4.46Å; I51-I72 HydrophobicContact CG2-CB 4.27Å; I51-I72 HydrophobicContact CG2-CD1 4.26Å; I51-I72 HydrophobicContact CG2-CG1 3.82Å; I51-I72 HydrophobicContact CG2-CG2 3.84Å; P69-I72 HydrophobicContact CB-CD1 4.42Å; P69-I72 HydrophobicContact CB-CG1 3.99Å; P69-I72 HydrophobicContact CG-CD1 4.31Å; P69-I72 HydrophobicContact CG-CG1 4.33Å; I72-G74 PolarHBondContact O-N 3.13Å; I72-G74 VanDerWaalsContact O-N 3.08Å; I72-V75 PolarHBondContact N-O 3.19Å; I72-V75 PolarHBondContact O-N 3.3Å; I72-Y77 HydrophobicContact CB-CD2 4Å; I72-Y77 HydrophobicContact CB-CE2 3.63Å; I72-Y77 HydrophobicContact CD1-CD1 4.37Å; I72-Y77 HydrophobicContact CD1-CD2 4.03Å; I72-Y77 HydrophobicContact CD1-CE1 4.33Å; I72-Y77 HydrophobicContact CD1-CE2 4.02Å; I72-Y77 HydrophobicContact CD1-CG 4.23Å; I72-Y77 HydrophobicContact CG1-CD2 3.91Å; I72-Y77 HydrophobicContact CG1-CE2 3.98Å; I72-Y77 HydrophobicContact CG1-CG 4.5Å
73N59Low75.4Confident166 Ų16667.4 Ų67.489%0.88837%0.368SS*.THydrogen-bonded Turntrans49.835.3-179.3-63.6-22.4000114.3
74G56.9Low75.5Confident71 Ų7166.7 Ų66.773%0.73236%0.359SS*.THydrogen-bonded Turntrans842.7179.500000115.8I72I72-G74 PolarHBondContact O-N 3.13Å; I72-G74 VanDerWaalsContact O-N 3.08Å
75V59.6Low75.5Confident70 Ų7067.4 Ų67.442%0.42436%0.36SS..EExtended strand (participates in β ladder)trans-100.7135.3174.4-1800000109.4Y71 I72 Y77 P104Y71-V75 WeakPolarHBondContact CA-O 3.28Å; I72-V75 PolarHBondContact N-O 3.19Å; I72-V75 PolarHBondContact O-N 3.3Å; V75-Y77 HydrophobicContact CB-CE2 3.89Å; V75-Y77 HydrophobicContact CG1-CD2 4.39Å; V75-Y77 HydrophobicContact CG1-CE2 3.86Å; V75-Y77 VanDerWaalsContact O-CD2 3.26Å; V75-Y77 WeakPolarHBondContact O-CD2 3.3Å; V75-P104 HydrophobicContact CG1-CB 3.97Å
76K71.8Confident75.7Confident100 Ų10065.2 Ų65.244%0.43535%0.349SS..EExtended strand (participates in β ladder)trans-81133.4179.8-165.6179.8-178.5-174.10110.9A70 Y71 I105A70-K76 WeakPolarHBondContact O-CA 3.26Å; Y71-K76 HydrophobicContact CD1-CB 4.41Å; Y71-K76 HydrophobicContact CE1-CB 4.09Å; Y71-K76 HydrophobicContact CE1-CG 4.2Å; K76-I105 HydrophobicContact CG-CD1 4.44Å; K76-I105 PolarHBondContact O-N 3.35Å
77Y71.5Confident75.9Confident49 Ų4963.2 Ų63.219%0.19234%0.342CS..BIsolated β-bridgetrans-118.9158.9-179.5-77.6-104.7000112P69 A70 I72 V75 T79 C102 E103 P104 I105P69-Y77 WeakPolarHBondContact O-CB 3.49Å; A70-Y77 PolarHBondContact O-N 2.89Å; I72-Y77 HydrophobicContact CB-CD2 4Å; I72-Y77 HydrophobicContact CB-CE2 3.63Å; I72-Y77 HydrophobicContact CD1-CD1 4.37Å; I72-Y77 HydrophobicContact CD1-CD2 4.03Å; I72-Y77 HydrophobicContact CD1-CE1 4.33Å; I72-Y77 HydrophobicContact CD1-CE2 4.02Å; I72-Y77 HydrophobicContact CD1-CG 4.23Å; I72-Y77 HydrophobicContact CG1-CD2 3.91Å; I72-Y77 HydrophobicContact CG1-CE2 3.98Å; I72-Y77 HydrophobicContact CG1-CG 4.5Å; V75-Y77 HydrophobicContact CB-CE2 3.89Å; V75-Y77 HydrophobicContact CG1-CD2 4.39Å; V75-Y77 HydrophobicContact CG1-CE2 3.86Å; V75-Y77 VanDerWaalsContact O-CD2 3.26Å; V75-Y77 WeakPolarHBondContact O-CD2 3.3Å; Y77-T79 PolarHBondContact O-N 3.01Å; Y77-C102 HydrophobicContact CD1-CB 4.15Å; Y77-E103 VanDerWaalsContact CD1-C 3.47Å; Y77-E103 WeakPolarHBondContact CD1-O 3.19Å; Y77-P104 HydrophobicContact CD1-CB 4.22Å; Y77-P104 HydrophobicContact CE1-CB 3.9Å; Y77-P104 HydrophobicContact CE1-CG 4.37Å; Y77-P104 HydrophobicContact CE2-CB 4.41Å; Y77-I105 WeakPolarHBondContact O-CD1 3.48Å
78N73.3Confident76.2Confident51 Ų5163.3 Ų63.327%0.27334%0.339SS..  trans-79.2111-179.1-170.7-5.1000111C68 T80 E103 I105C68-N78 WeakPolarHBondContact CB-O 3.24Å; N78-T80 VanDerWaalsContact C-N 3.27Å; N78-T80 PolarHBondContact ND2-OG1 3.48Å; N78-T80 VanDerWaalsContact ND2-OG1 3.16Å; N78-T80 PolarHBondContact O-N 3.19Å; N78-T80 PolarHBondContact OD1-N 3.03Å; N78-T80 VanDerWaalsContact OD1-N 3.1Å; N78-T80 PolarHBondContact OD1-OG1 3.49Å; N78-E103 PolarHBondContact N-O 3.3Å; N78-E103 VanDerWaalsContact N-O 3.1Å; N78-I105 HydrophobicContact CB-CD1 4.06Å; N78-I105 HydrophobicContact CB-CG1 3.77Å
79T77.9Confident76.4Confident62 Ų6269.2 Ų69.238%0.3837%0.37SS..THydrogen-bonded Turntrans-74.8-12.6-178.155.70000113.5A70 Y77 R81A70-T79 HydrophobicContact CB-CG2 3.98Å; Y77-T79 PolarHBondContact O-N 3.01Å; T79-R81 PolarHBondContact O-N 3.26Å
80T76.9Confident76.7Confident116 Ų11672.5 Ų72.571%0.71239%0.386SS*.THydrogen-bonded Turntrans-71.5-13.7176.651.60000114.1N78N78-T80 VanDerWaalsContact C-N 3.27Å; N78-T80 PolarHBondContact ND2-OG1 3.48Å; N78-T80 VanDerWaalsContact ND2-OG1 3.16Å; N78-T80 PolarHBondContact O-N 3.19Å; N78-T80 PolarHBondContact OD1-N 3.03Å; N78-T80 VanDerWaalsContact OD1-N 3.1Å; N78-T80 PolarHBondContact OD1-OG1 3.49Å
81R80.1Confident77Confident94 Ų9471.1 Ų71.136%0.35538%0.376SS..SBendtrans-101.1158.1175.8-66.9-169.6177.9-175.616110.4C68 T79 N101 E103C68-R81 PolarHBondContact N-O 3.4Å; C68-R81 VanDerWaalsContact SG-C 3.59Å; C68-R81 PolarHBondContact SG-O 2.96Å; T79-R81 PolarHBondContact O-N 3.26Å; R81-N101 HydrophobicContact CB-CB 4.42Å; R81-N101 WeakPolarHBondContact CB-O 3.01Å; R81-N101 WeakPolarHBondContact CD-O 3.38Å; R81-N101 PolarHBondContact NH1-O 3.31Å; R81-E103 VanDerWaalsContact CZ-CD 3.45Å; R81-E103 IonicContact CZ-OE1 2.64Å; R81-E103 VanDerWaalsContact CZ-OE1 3.27Å; R81-E103 IonicContact CZ-OE2 2.78Å; R81-E103 IonicContact NH1-OE1 2.72Å; R81-E103 PolarHBondContact NH1-OE1 3.17Å; R81-E103 IonicContact NH1-OE2 2.93Å; R81-E103 VanDerWaalsContact NH2-CD 3.3Å; R81-E103 IonicContact NH2-OE1 3.07Å; R81-E103 PolarHBondContact NH2-OE1 3.3Å; R81-E103 IonicContact NH2-OE2 3.06Å; R81-E103 PolarHBondContact NH2-OE2 3.42Å
82S84Confident77.9Confident43 Ų4367.4 Ų67.430%0.30137%0.37SS..EExtended strand (participates in β ladder)trans-113.5138.2-176.9-54.10000112.1R66 N101R66-S82 CarbonylContact O-C 3.41Å; R66-S82 WeakPolarHBondContact O-CA 3.29Å; R66-S82 WeakPolarHBondContact O-CB 3.44Å; S82-N101 WeakPolarHBondContact O-CB 3.49Å
83A85.3Confident78.7Confident0 Ų067.7 Ų67.70%037%0.369CS..EExtended strand (participates in β ladder)trans-88.2152.9162.300000109.9E65 R66 Y99E65-A83 WeakPolarHBondContact CA-O 3.14Å; R66-A83 PolarHBondContact N-O 2.8Å; R66-A83 PolarHBondContact O-N 2.98Å; R66-A83 VanDerWaalsContact O-O 3.12Å; A83-Y99 HydrophobicContact CB-CD1 3.52Å; A83-Y99 HydrophobicContact CB-CE1 3.48Å; A83-Y99 VanDerWaalsContact CB-CE1 3.48Å; A83-Y99 HydrophobicContact CB-CG 4.4Å
84Y87.3Confident80Confident85 Ų8560.5 Ų60.533%0.33333%0.333SS..EExtended strand (participates in β ladder)trans-134.9148.1-179.966-91.2000113.2I63 V64 N98I63-Y84 HydrophobicContact CG2-CD2 3.86Å; I63-Y84 HydrophobicContact CG2-CG 4.18Å; V64-Y84 CarbonylContact O-C 3.59Å; V64-Y84 VanDerWaalsContact O-CA 3.23Å; V64-Y84 WeakPolarHBondContact O-CA 3.37Å; Y84-N98 HydrophobicContact CD1-CB 4.05Å; Y84-N98 HydrophobicContact CD2-CB 4.07Å; Y84-N98 HydrophobicContact CE1-CB 3.63Å; Y84-N98 HydrophobicContact CE2-CB 3.67Å; Y84-N98 HydrophobicContact CG-CB 4.27Å; Y84-N98 VanDerWaalsContact CZ-CB 3.47Å; Y84-N98 PolarHBondContact N-O 3.49Å; Y84-N98 PolarHBondContact O-N 3.4Å; Y84-N98 PolarHBondContact OH-ND2 3.28Å
85R85.8Confident81.1Confident32 Ų3265.8 Ų65.812%0.12134%0.343CS..EExtended strand (participates in β ladder)trans-138.8134.9178.2-165.2-180-171.7-170.8-3.1110.2T47 W55 V64 W93 A94 I97T47-R85 PolarHBondContact OG1-NH1 3.31Å; W55-R85 VanDerWaalsContact CD1-NH1 3.28Å; W55-R85 HydrophobicContact CD2-CB 3.82Å; W55-R85 HydrophobicContact CD2-CG 4.39Å; W55-R85 HydrophobicContact CE3-CB 3.53Å; W55-R85 HydrophobicContact CE3-CG 4.48Å; W55-R85 HydrophobicContact CH2-CB 3.52Å; W55-R85 HydrophobicContact CZ2-CB 3.81Å; W55-R85 HydrophobicContact CZ3-CB 3.37Å; V64-R85 PolarHBondContact N-O 3.32Å; V64-R85 PolarHBondContact O-N 2.91Å; R85-W93 HydrophobicContact CB-CE3 4.4Å; R85-W93 HydrophobicContact CB-CZ3 4.39Å; R85-W93 HydrophobicContact CG-CE3 3.81Å; R85-W93 HydrophobicContact CG-CZ3 4.29Å; R85-W93 VanDerWaalsContact CZ-CB 3.5Å; R85-W93 VanDerWaalsContact NH2-CB 3.3Å; R85-A94 PolarHBondContact NE-O 2.93Å; R85-I97 HydrophobicContact CB-CG1 4.46Å; R85-I97 HydrophobicContact CB-CG2 4.44Å; R85-I97 HydrophobicContact CG-CG1 3.97Å
86E88.5Confident81.9Confident89 Ų8971 Ų7142%0.41636%0.36SS..EExtended strand (participates in β ladder)trans-93.9135.5-178.7-174.2177-171.400111.3I63 A94I63-E86 HydrophobicContact CG1-CB 4.44Å; I63-E86 HydrophobicContact CG1-CG 4.35Å; E86-A94 HydrophobicContact CB-CB 4.22Å; E86-A94 WeakPolarHBondContact O-CB 3.38Å; E86-A94 PolarHBondContact O-N 2.98Å
87C87.7Confident82.5Confident0 Ų067.9 Ų67.90%035%0.348CS..BIsolated β-bridgetrans-90.8112.9165.4177.50000108.5C44 G61 R62 W93C44-C87 HydrophobicContact CB-CB 3.86Å; C44-C87 WeakPolarHBondContact CB-SG 3.25Å; C44-C87 WeakPolarHBondContact SG-CA 3.09Å; C44-C87 WeakPolarHBondContact SG-CB 3.46Å; C44-C87 CovalentContact SG-SG 2.02Å; C44-C87 PolarHBondContact SG-SG 3.36Å; G61-C87 WeakPolarHBondContact CA-O 3.29Å; G61-C87 PolarHBondContact N-O 2.93Å; R62-C87 PolarHBondContact O-N 3.24Å; C87-W93 HydrophobicContact CB-CE3 4.26Å; C87-W93 HydrophobicContact CB-CZ3 4.15Å
88L86.8Confident83Confident62 Ų6267.9 Ų67.933%0.32535%0.351SS..  trans-70.2158.8-176.8-63.9166.5000111.1T60 N90 G91 T92T60-L88 WeakPolarHBondContact CG2-O 3.22Å; L88-N90 WeakPolarHBondContact CB-OD1 3.24Å; L88-N90 PolarHBondContact O-N 2.99Å; L88-G91 PolarHBondContact O-N 2.77Å; L88-T92 VanDerWaalsContact CB-O 3.26Å; L88-T92 WeakPolarHBondContact CB-O 3.41Å; L88-T92 PolarHBondContact N-O 3.08Å
89D85.3Confident83.2Confident127 Ų12767.6 Ų67.668%0.67935%0.347SS*.THydrogen-bonded Turntrans-62.3-16.2-179.3-65.5-34.4000114.5G61 G91G61-D89 WeakPolarHBondContact CA-OD1 3.47Å; G61-D89 PolarHBondContact N-OD1 2.87Å; D89-G91 VanDerWaalsContact C-N 3.29Å
90N84.3Confident83.2Confident92 Ų9268.3 Ų68.349%0.49235%0.354SS..THydrogen-bonded Turntrans-84.42.8175.970.7-7.8000113.6L42 L88 T92L42-N90 VanDerWaalsContact CD2-O 3.26Å; L42-N90 WeakPolarHBondContact CD2-O 3.34Å; L88-N90 WeakPolarHBondContact CB-OD1 3.24Å; L88-N90 PolarHBondContact O-N 2.99Å; N90-T92 VanDerWaalsContact C-N 3.35Å; N90-T92 PolarHBondContact ND2-OG1 3.43Å; N90-T92 PolarHBondContact OD1-N 2.69Å; N90-T92 PolarHBondContact OD1-OG1 3.14Å
91G80.3Confident83.3Confident16 Ų1666 Ų6617%0.16534%0.337CS..SBendtrans78.112.9-177.500000114.8C44 L88 D89C44-G91 VanDerWaalsContact SG-C 3.54Å; L88-G91 PolarHBondContact O-N 2.77Å; D89-G91 VanDerWaalsContact C-N 3.29Å
92T85.5Confident83Confident71 Ų7162.1 Ų62.144%0.43633%0.325SS..  trans-110148.6174.273.90000111.8C44 L88 N90C44-T92 PolarHBondContact SG-O 3.02Å; L88-T92 VanDerWaalsContact CB-O 3.26Å; L88-T92 WeakPolarHBondContact CB-O 3.41Å; L88-T92 PolarHBondContact N-O 3.08Å; N90-T92 VanDerWaalsContact C-N 3.35Å; N90-T92 PolarHBondContact ND2-OG1 3.43Å; N90-T92 PolarHBondContact OD1-N 2.69Å; N90-T92 PolarHBondContact OD1-OG1 3.14Å
93W85.3Confident82.5Confident26 Ų2664.6 Ų64.610%0.09833%0.331CS..BIsolated β-bridgetrans-67.8146173.3-70.6106.3000111.6C44 N45 T47 W55 P56 V64 R85 C87 L95C44-W93 HydrophobicContact CB-CD2 3.84Å; C44-W93 VanDerWaalsContact CB-CE2 3.46Å; C44-W93 HydrophobicContact CB-CE3 4.42Å; C44-W93 HydrophobicContact CB-CG 4.2Å; C44-W93 HydrophobicContact CB-CH2 4.38Å; C44-W93 HydrophobicContact CB-CZ2 3.76Å; N45-W93 PolarHBondContact O-NE1 3.34Å; T47-W93 PolarHBondContact OG1-NE1 2.77Å; W55-W93 HydrophobicContact CB-CH2 4.19Å; W55-W93 HydrophobicContact CB-CZ2 4.02Å; P56-W93 WeakPolarHBondContact O-CH2 3.11Å; P56-W93 VanDerWaalsContact O-CZ2 3.25Å; P56-W93 WeakPolarHBondContact O-CZ2 3.3Å; V64-W93 HydrophobicContact CB-CH2 4.4Å; V64-W93 HydrophobicContact CB-CZ3 4.37Å; V64-W93 HydrophobicContact CG2-CH2 3.85Å; V64-W93 HydrophobicContact CG2-CZ3 4.01Å; R85-W93 HydrophobicContact CB-CE3 4.4Å; R85-W93 HydrophobicContact CB-CZ3 4.39Å; R85-W93 HydrophobicContact CG-CE3 3.81Å; R85-W93 HydrophobicContact CG-CZ3 4.29Å; R85-W93 VanDerWaalsContact CZ-CB 3.5Å; R85-W93 VanDerWaalsContact NH2-CB 3.3Å; C87-W93 HydrophobicContact CB-CE3 4.26Å; C87-W93 HydrophobicContact CB-CZ3 4.15Å; W93-L95 PolarHBondContact O-N 3.34Å
94A85.8Confident81.8Confident15 Ų1567.1 Ų67.112%0.12435%0.348CS..  trans-57138.6167.700000110.9R85 E86 K96R85-A94 PolarHBondContact NE-O 2.93Å; E86-A94 HydrophobicContact CB-CB 4.22Å; E86-A94 WeakPolarHBondContact O-CB 3.38Å; E86-A94 PolarHBondContact O-N 2.98Å; A94-K96 VanDerWaalsContact C-N 3.26Å; A94-K96 PolarHBondContact O-N 2.9Å
95L80.1Confident80.6Confident181 Ų18165.2 Ų65.295%0.94834%0.343SS*.SBendtrans-63.8-31.2-179.5-78.4160000112.6W93W93-L95 PolarHBondContact O-N 3.34Å
96K77.4Confident79.3Confident180 Ų18071 Ų7178%0.78338%0.376SS*.SBendtrans-111.4120.3-177.6-170.3178.2-178.6-177.40109.9A94A94-K96 VanDerWaalsContact C-N 3.26Å; A94-K96 PolarHBondContact O-N 2.9Å
97I84Confident77.6Confident34 Ų3473.6 Ų73.617%0.17439%0.388CS..  trans-83.1138.1169.3-56.9101.2000108.8D49 W55 R85 Y99D49-I97 HydrophobicContact CB-CD1 4.31Å; W55-I97 HydrophobicContact CH2-CG2 4.12Å; W55-I97 HydrophobicContact CZ2-CG1 4.42Å; W55-I97 HydrophobicContact CZ2-CG2 3.52Å; R85-I97 HydrophobicContact CB-CG1 4.46Å; R85-I97 HydrophobicContact CB-CG2 4.44Å; R85-I97 HydrophobicContact CG-CG1 3.97Å; I97-Y99 HydrophobicContact CB-CD2 3.98Å; I97-Y99 HydrophobicContact CB-CE2 3.58Å; I97-Y99 HydrophobicContact CG1-CE2 4.41Å; I97-Y99 HydrophobicContact CG2-CD2 3.72Å; I97-Y99 HydrophobicContact CG2-CE1 4.36Å; I97-Y99 HydrophobicContact CG2-CE2 3.27Å; I97-Y99 HydrophobicContact CG2-CG 4.43Å; I97-Y99 PolarHBondContact O-N 3.29Å
98N80.9Confident75.6Confident49 Ų4981.6 Ų81.626%0.26243%0.425SS..BIsolated β-bridgetrans-92.9104.2175.6-159.3-7.1000111.8Y84 S100Y84-N98 HydrophobicContact CD1-CB 4.05Å; Y84-N98 HydrophobicContact CD2-CB 4.07Å; Y84-N98 HydrophobicContact CE1-CB 3.63Å; Y84-N98 HydrophobicContact CE2-CB 3.67Å; Y84-N98 HydrophobicContact CG-CB 4.27Å; Y84-N98 VanDerWaalsContact CZ-CB 3.47Å; Y84-N98 PolarHBondContact N-O 3.49Å; Y84-N98 PolarHBondContact O-N 3.4Å; Y84-N98 PolarHBondContact OH-ND2 3.28Å; N98-S100 PolarHBondContact ND2-OG 2.98Å; N98-S100 WeakPolarHBondContact OD1-CB 3.45Å; N98-S100 PolarHBondContact OD1-N 3.23Å; N98-S100 PolarHBondContact OD1-OG 2.92Å
99Y78.5Confident73.7Confident46 Ų4685.4 Ų85.418%0.1844%0.439CS..  trans-97.714173.2-73.6-74.2000112.9D49 I51 T53 P69 A83 I97 N101 C102D49-Y99 PolarHBondContact OD2-OH 3.09Å; I51-Y99 HydrophobicContact CD1-CD2 4.49Å; I51-Y99 HydrophobicContact CD1-CE2 4.01Å; T53-Y99 PolarHBondContact OG1-OH 2.94Å; T53-Y99 VanDerWaalsContact OG1-OH 3.11Å; P69-Y99 HydrophobicContact CG-CE1 4.47Å; A83-Y99 HydrophobicContact CB-CD1 3.52Å; A83-Y99 HydrophobicContact CB-CE1 3.48Å; A83-Y99 VanDerWaalsContact CB-CE1 3.48Å; A83-Y99 HydrophobicContact CB-CG 4.4Å; I97-Y99 HydrophobicContact CB-CD2 3.98Å; I97-Y99 HydrophobicContact CB-CE2 3.58Å; I97-Y99 HydrophobicContact CG1-CE2 4.41Å; I97-Y99 HydrophobicContact CG2-CD2 3.72Å; I97-Y99 HydrophobicContact CG2-CE1 4.36Å; I97-Y99 HydrophobicContact CG2-CE2 3.27Å; I97-Y99 HydrophobicContact CG2-CG 4.43Å; I97-Y99 PolarHBondContact O-N 3.29Å; Y99-N101 PolarHBondContact O-N 3.49Å; Y99-C102 HydrophobicContact CD1-CB 4.45Å; Y99-C102 WeakPolarHBondContact O-CB 3.27Å; Y99-C102 PolarHBondContact O-N 2.96Å
100S77.2Confident72.1Confident76 Ų7689.3 Ų89.353%0.53144%0.444SS..THydrogen-bonded Turntrans-56.4-27.4-175.4600000114.2N98N98-S100 PolarHBondContact ND2-OG 2.98Å; N98-S100 WeakPolarHBondContact OD1-CB 3.45Å; N98-S100 PolarHBondContact OD1-N 3.23Å; N98-S100 PolarHBondContact OD1-OG 2.92Å
101N78.6Confident70.5Confident68 Ų6891.3 Ų91.336%0.36445%0.449SS..THydrogen-bonded Turntrans-87-12.8-179.4-62.3-17.7000112.5R81 S82 Y99 E103R81-N101 HydrophobicContact CB-CB 4.42Å; R81-N101 WeakPolarHBondContact CB-O 3.01Å; R81-N101 WeakPolarHBondContact CD-O 3.38Å; R81-N101 PolarHBondContact NH1-O 3.31Å; S82-N101 WeakPolarHBondContact O-CB 3.49Å; Y99-N101 PolarHBondContact O-N 3.49Å; N101-E103 PolarHBondContact O-N 3.3Å; N101-E103 VanDerWaalsContact O-N 3.17Å
102C75.4Confident69.5Low13 Ų1394.4 Ų94.49%0.08846%0.456CS..  trans-82.796.5-179.1-58.30000110.2C68 Y77 Y99C68-C102 HydrophobicContact CB-CB 3.8Å; C68-C102 WeakPolarHBondContact CB-SG 3.24Å; C68-C102 WeakPolarHBondContact SG-CA 3.46Å; C68-C102 WeakPolarHBondContact SG-CB 3.41Å; C68-C102 CovalentContact SG-SG 2.03Å; C68-C102 PolarHBondContact SG-SG 3.02Å; Y77-C102 HydrophobicContact CD1-CB 4.15Å; Y99-C102 HydrophobicContact CD1-CB 4.45Å; Y99-C102 WeakPolarHBondContact O-CB 3.27Å; Y99-C102 PolarHBondContact O-N 2.96Å
103E73.5Confident68.6Low94 Ų9494 Ų9444%0.43945%0.454SS..  trans-90.2134.6176.6-72.1174.2-169.200110.5Y77 N78 R81 N101 I105Y77-E103 VanDerWaalsContact CD1-C 3.47Å; Y77-E103 WeakPolarHBondContact CD1-O 3.19Å; N78-E103 PolarHBondContact N-O 3.3Å; N78-E103 VanDerWaalsContact N-O 3.1Å; R81-E103 VanDerWaalsContact CZ-CD 3.45Å; R81-E103 IonicContact CZ-OE1 2.64Å; R81-E103 VanDerWaalsContact CZ-OE1 3.27Å; R81-E103 IonicContact CZ-OE2 2.78Å; R81-E103 IonicContact NH1-OE1 2.72Å; R81-E103 PolarHBondContact NH1-OE1 3.17Å; R81-E103 IonicContact NH1-OE2 2.93Å; R81-E103 VanDerWaalsContact NH2-CD 3.3Å; R81-E103 IonicContact NH2-OE1 3.07Å; R81-E103 PolarHBondContact NH2-OE1 3.3Å; R81-E103 IonicContact NH2-OE2 3.06Å; R81-E103 PolarHBondContact NH2-OE2 3.42Å; N101-E103 PolarHBondContact O-N 3.3Å; N101-E103 VanDerWaalsContact O-N 3.17Å; E103-I105 PolarHBondContact O-N 2.96Å
104P68.9Low67.8Low54 Ų5498.7 Ų98.735%0.35148%0.479SS..BIsolated β-bridgetrans-66.7132.617427.8-32.9000109.4V75 Y77 L106V75-P104 HydrophobicContact CG1-CB 3.97Å; Y77-P104 HydrophobicContact CD1-CB 4.22Å; Y77-P104 HydrophobicContact CE1-CB 3.9Å; Y77-P104 HydrophobicContact CE1-CG 4.37Å; Y77-P104 HydrophobicContact CE2-CB 4.41Å; P104-L106 VanDerWaalsContact C-N 3.33Å; P104-L106 HydrophobicContact CB-CD1 3.96Å; P104-L106 HydrophobicContact CG-CD1 3.7Å; P104-L106 PolarHBondContact O-N 3.15Å
105I63.6Low67.1Low44 Ų44101.8 Ų101.823%0.22649%0.491CS..  trans-74.892.5169.1-62.2175.4000106.2K76 Y77 N78 E103 E107K76-I105 HydrophobicContact CG-CD1 4.44Å; K76-I105 PolarHBondContact O-N 3.35Å; Y77-I105 WeakPolarHBondContact O-CD1 3.48Å; N78-I105 HydrophobicContact CB-CD1 4.06Å; N78-I105 HydrophobicContact CB-CG1 3.77Å; E103-I105 PolarHBondContact O-N 2.96Å; I105-E107 HydrophobicContact CG2-CB 3.51Å; I105-E107 HydrophobicContact CG2-CG 3.25Å; I105-E107 WeakPolarHBondContact CG2-OE2 3.48Å; I105-E107 PolarHBondContact O-N 3.37Å
106L57.7Low66.5Low155 Ų155100.6 Ų100.681%0.81248%0.475SS*.  trans-73.350.9165.1-86.889.1000110.6P104 E108P104-L106 VanDerWaalsContact C-N 3.33Å; P104-L106 HydrophobicContact CB-CD1 3.96Å; P104-L106 HydrophobicContact CG-CD1 3.7Å; P104-L106 PolarHBondContact O-N 3.15Å; L106-E108 PolarHBondContact O-N 3.32Å
107E52.2Low66.5Low143 Ų14397.8 Ų97.867%0.66846%0.463SS*.  trans-80.496.8167.7-80.8173175.100107.8I105I105-E107 HydrophobicContact CG2-CB 3.51Å; I105-E107 HydrophobicContact CG2-CG 3.25Å; I105-E107 WeakPolarHBondContact CG2-OE2 3.48Å; I105-E107 PolarHBondContact O-N 3.37Å
108E47.1Very low66.2Low168 Ų168100 Ų10079%0.78547%0.474SS*.SBendtrans170.3-31.7130.3-101.6-174.4135.200113.5L106 R110L106-E108 PolarHBondContact O-N 3.32Å; E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 3.05Å; E108-R110 VanDerWaalsContact O-N 3.15Å
109K46.2Very low65.9Low142 Ų14297.9 Ų97.962%0.61746%0.463SS*.THydrogen-bonded Turntrans-76.2-6.3-168-85.7-175.6-176.41720116.1E262K109-E262 VanDerWaalsContact NZ-CG 3.28Å; K109-E262 IonicContact NZ-OE1 2.7Å; K109-E262 PolarHBondContact NZ-OE1 3.31Å
110R51.6Low65.8Low209 Ų20999 Ų9979%0.78947%0.471SS*.THydrogen-bonded Turntrans-146.835.7-169.5-134.1173.1-171.7162.22.1116.1E108 Y112E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 3.05Å; E108-R110 VanDerWaalsContact O-N 3.15Å; R110-Y112 PolarHBondContact O-N 3.33Å
111K51.6Low66.1Low134 Ų134100.2 Ų100.258%0.58347%0.471SS*.SBendtrans-64.6-22.3178.1-136.6177.6-174.9-173.30113.6D337K111-D337 VanDerWaalsContact NZ-CG 3.31Å; K111-D337 IonicContact NZ-OD1 3.67Å; K111-D337 PolarHBondContact NZ-OD1 2.95Å; K111-D337 IonicContact NZ-OD2 3.51Å; K111-D337 PolarHBondContact NZ-OD2 3.26Å
112Y59.2Low66.4Low81 Ų8199.7 Ų99.732%0.31847%0.468SS..  trans-138.672-177.9-55.9-73.4000114.3R110 M114 H115 Y116 D337 I341R110-Y112 PolarHBondContact O-N 3.33Å; Y112-M114 PolarHBondContact O-N 3.47Å; Y112-H115 AromaticContact CD1-CD2 3.88Å; Y112-H115 PolarHBondContact O-N 3Å; Y112-Y116 PolarHBondContact O-N 2.99Å; Y112-Y116 VanDerWaalsContact O-N 3.13Å; Y112-D337 HydrophobicContact CE2-CB 4.37Å; Y112-D337 WeakPolarHBondContact OH-CB 3.22Å; Y112-I341 HydrophobicContact CD1-CD1 4.2Å; Y112-I341 HydrophobicContact CD2-CD1 3.8Å; Y112-I341 HydrophobicContact CD2-CG1 3.94Å; Y112-I341 HydrophobicContact CE1-CD1 4.04Å; Y112-I341 HydrophobicContact CE2-CD1 3.64Å; Y112-I341 HydrophobicContact CE2-CG1 4.08Å; Y112-I341 HydrophobicContact CG-CD1 4.09Å; Y112-I341 HydrophobicContact CG-CG1 4.45Å
113P65.5Low66.7Low62 Ų62100 Ų10040%0.40347%0.468SS..Hα-helixtrans-61.8-29.9-177.725.8-34.4000113K117P113-K117 WeakPolarHBondContact O-CB 3.4Å; P113-K117 VanDerWaalsContact O-CG 3.24Å; P113-K117 WeakPolarHBondContact O-CG 3.41Å; P113-K117 PolarHBondContact O-N 3.44Å
114M69Low67.4Low125 Ų125101 Ų10162%0.61647%0.469SS*.Hα-helixtrans-76.1-45.2179-64.8-53.2-17300112.4Y112 Y116 K117 I118Y112-M114 PolarHBondContact O-N 3.47Å; M114-Y116 VanDerWaalsContact C-N 3.3Å; M114-Y116 PolarHBondContact O-N 3.35Å; M114-K117 PolarHBondContact O-N 3.21Å; M114-K117 HydrophobicContact SD-CD 4.42Å; M114-I118 VanDerWaalsContact O-CG1 3.27Å; M114-I118 WeakPolarHBondContact O-CG1 3.22Å; M114-I118 PolarHBondContact O-N 3.45Å
115H69.9Low68.4Low80 Ų80103 Ų10337%0.3748%0.476SS..Hα-helixtrans-63-39.8178-70.9-70.4000111.8Y112 I118 A119 Y345Y112-H115 AromaticContact CD1-CD2 3.88Å; Y112-H115 PolarHBondContact O-N 3Å; H115-I118 PolarHBondContact O-N 2.9Å; H115-A119 WeakPolarHBondContact O-CB 3.42Å; H115-A119 PolarHBondContact O-N 3.36Å; H115-Y345 VanDerWaalsContact CA-OH 3.23Å; H115-Y345 WeakPolarHBondContact CA-OH 3.42Å; H115-Y345 HydrophobicContact CB-CE2 4.02Å; H115-Y345 WeakPolarHBondContact CB-OH 3.39Å; H115-Y345 AromaticContact ND1-CE2 3.75Å; H115-Y345 AromaticContact ND1-CZ 3.83Å; H115-Y345 PolarHBondContact ND1-OH 3.44Å; H115-Y345 PolarHBondContact O-OH 3.38Å
116Y69.1Low69.6Low156 Ų156101 Ų10161%0.61247%0.466SS*.Hα-helixtrans-61.5-45.5174-177.7-97.2000112.5Y112 M114 I118 A119 L120Y112-Y116 PolarHBondContact O-N 2.99Å; Y112-Y116 VanDerWaalsContact O-N 3.13Å; M114-Y116 VanDerWaalsContact C-N 3.3Å; M114-Y116 PolarHBondContact O-N 3.35Å; Y116-I118 VanDerWaalsContact C-N 3.34Å; Y116-I118 PolarHBondContact O-N 2.85Å; Y116-A119 PolarHBondContact O-N 3.21Å; Y116-L120 WeakPolarHBondContact O-CB 3.46Å; Y116-L120 PolarHBondContact O-N 3.34Å
117K75.9Confident71Confident121 Ų12193.9 Ų93.953%0.52643%0.428SS..Hα-helixtrans-60.4-43.2175.6-78.2176.9179.6-173.30112P113 M114 L120 I121P113-K117 WeakPolarHBondContact O-CB 3.4Å; P113-K117 VanDerWaalsContact O-CG 3.24Å; P113-K117 WeakPolarHBondContact O-CG 3.41Å; P113-K117 PolarHBondContact O-N 3.44Å; M114-K117 PolarHBondContact O-N 3.21Å; M114-K117 HydrophobicContact SD-CD 4.42Å; K117-L120 PolarHBondContact O-N 3.37Å; K117-I121 WeakPolarHBondContact O-CG1 3.09Å; K117-I121 PolarHBondContact O-N 2.94Å
118I78.4Confident72.9Confident81 Ų8189.4 Ų89.442%0.41541%0.412SS..Hα-helixtrans-65.1-44.5177.9-64.4163.7000110.4M114 H115 Y116 L120 I121 I122 Y345M114-I118 VanDerWaalsContact O-CG1 3.27Å; M114-I118 WeakPolarHBondContact O-CG1 3.22Å; M114-I118 PolarHBondContact O-N 3.45Å; H115-I118 PolarHBondContact O-N 2.9Å; Y116-I118 VanDerWaalsContact C-N 3.34Å; Y116-I118 PolarHBondContact O-N 2.85Å; I118-L120 VanDerWaalsContact C-N 3.29Å; I118-L120 PolarHBondContact O-N 3.12Å; I118-I121 PolarHBondContact O-N 3.47Å; I118-I122 HydrophobicContact CG2-CD1 3.97Å; I118-I122 WeakPolarHBondContact O-CG1 3.48Å; I118-I122 PolarHBondContact O-N 3.01Å; I118-Y345 HydrophobicContact CB-CE1 4.42Å; I118-Y345 HydrophobicContact CG2-CE1 4.02Å
119A75.1Confident75Confident3 Ų385.5 Ų85.53%0.02540%0.396CS..Hα-helixtrans-60-39.4176.200000111.8H115 Y116 I122 N123 I344 Y345H115-A119 WeakPolarHBondContact O-CB 3.42Å; H115-A119 PolarHBondContact O-N 3.36Å; Y116-A119 PolarHBondContact O-N 3.21Å; A119-I122 PolarHBondContact O-N 3.06Å; A119-N123 VanDerWaalsContact O-CB 3.27Å; A119-N123 WeakPolarHBondContact O-CB 3.46Å; A119-N123 PolarHBondContact O-N 3.23Å; A119-I344 HydrophobicContact CB-CG2 4.39Å; A119-Y345 HydrophobicContact CB-CD1 4.07Å; A119-Y345 HydrophobicContact CB-CE1 3.9Å
120L76.6Confident77.3Confident69 Ų6978.7 Ų78.736%0.36137%0.366SS..Hα-helixtrans-63.5-42.1175.4-173.966.8000112.2Y116 K117 I118 N123 Y124Y116-L120 WeakPolarHBondContact O-CB 3.46Å; Y116-L120 PolarHBondContact O-N 3.34Å; K117-L120 PolarHBondContact O-N 3.37Å; I118-L120 VanDerWaalsContact C-N 3.29Å; I118-L120 PolarHBondContact O-N 3.12Å; L120-N123 PolarHBondContact O-N 2.69Å; L120-Y124 WeakPolarHBondContact O-CB 3.38Å; L120-Y124 PolarHBondContact O-N 3.19Å
121I82.3Confident79.2Confident102 Ų10269.8 Ų69.852%0.52334%0.335SS..Hα-helixtrans-63.6-46.8176.4-67164.5000110.6K117 I118 N123 Y124 L125K117-I121 WeakPolarHBondContact O-CG1 3.09Å; K117-I121 PolarHBondContact O-N 2.94Å; I118-I121 PolarHBondContact O-N 3.47Å; I121-N123 VanDerWaalsContact C-N 3.29Å; I121-N123 PolarHBondContact O-N 2.96Å; I121-Y124 PolarHBondContact O-N 2.99Å; I121-L125 HydrophobicContact CG2-CD1 3.98Å; I121-L125 HydrophobicContact CG2-CG 4.41Å; I121-L125 WeakPolarHBondContact O-CG 3.16Å; I121-L125 PolarHBondContact O-N 3.24Å
122I84.6Confident81.1Confident57 Ų5765.2 Ų65.229%0.29233%0.326SS..Hα-helixtrans-59.2-44.4176.8-67.6168.8000110.2I118 A119 L125 G126 Y345I118-I122 HydrophobicContact CG2-CD1 3.97Å; I118-I122 WeakPolarHBondContact O-CG1 3.48Å; I118-I122 PolarHBondContact O-N 3.01Å; A119-I122 PolarHBondContact O-N 3.06Å; I122-L125 PolarHBondContact O-N 3.06Å; I122-G126 PolarHBondContact O-N 2.81Å; I122-Y345 HydrophobicContact CD1-CD1 4.17Å; I122-Y345 HydrophobicContact CD1-CE1 4.08Å
123N83.6Confident82.7Confident19 Ų1962 Ų6210%0.10232%0.316CS..Hα-helixtrans-61.6-45.9178.4-171.235.3000111.7A119 L120 I121 G126 H127 W169 A352A119-N123 VanDerWaalsContact O-CB 3.27Å; A119-N123 WeakPolarHBondContact O-CB 3.46Å; A119-N123 PolarHBondContact O-N 3.23Å; L120-N123 PolarHBondContact O-N 2.69Å; I121-N123 VanDerWaalsContact C-N 3.29Å; I121-N123 PolarHBondContact O-N 2.96Å; N123-G126 PolarHBondContact O-N 3.08Å; N123-H127 PolarHBondContact O-CD2 3.34Å; N123-H127 PolarHBondContact O-N 2.69Å; N123-H127 PolarHBondContact OD1-CD2 3.26Å; N123-H127 VanDerWaalsContact OD1-CD2 3.22Å; N123-H127 PolarHBondContact OD1-NE2 3.12Å; N123-W169 WeakPolarHBondContact ND2-CZ2 3.34Å; N123-A352 WeakPolarHBondContact OD1-CB 3.33Å
124Y86.4Confident83.9Confident117 Ų11759 Ų5946%0.45930%0.296SS..Hα-helixtrans-59.6-50.7176.5-178.1-90.6000112L120 I121 G126 H127 C128 W169 F170L120-Y124 WeakPolarHBondContact O-CB 3.38Å; L120-Y124 PolarHBondContact O-N 3.19Å; I121-Y124 PolarHBondContact O-N 2.99Å; Y124-G126 VanDerWaalsContact C-N 3.33Å; Y124-G126 PolarHBondContact O-N 3.21Å; Y124-H127 PolarHBondContact O-N 2.9Å; Y124-C128 PolarHBondContact O-N 2.87Å; Y124-C128 PolarHBondContact O-SG 2.8Å; Y124-C128 VanDerWaalsContact O-SG 3.33Å; Y124-W169 AromaticContact CD2-CH2 3.89Å; Y124-W169 HydrophobicContact CD2-CH2 3.89Å; Y124-W169 AromaticContact CD2-CZ3 3.91Å; Y124-W169 HydrophobicContact CD2-CZ3 3.91Å; Y124-W169 HydrophobicContact CG-CH2 4.44Å; Y124-F170 AromaticContact CD2-CE1 3.99Å; Y124-F170 HydrophobicContact CD2-CE1 3.99Å; Y124-F170 HydrophobicContact CE2-CD1 4.06Å; Y124-F170 AromaticContact CE2-CE1 3.57Å; Y124-F170 HydrophobicContact CE2-CE1 3.57Å
125L89.7Confident85Confident96 Ų9656.6 Ų56.650%0.50329%0.285SS..Hα-helixtrans-60.2-42.6177.8-70.3173.5000111.8I121 I122 C128 I129I121-L125 HydrophobicContact CG2-CD1 3.98Å; I121-L125 HydrophobicContact CG2-CG 4.41Å; I121-L125 WeakPolarHBondContact O-CG 3.16Å; I121-L125 PolarHBondContact O-N 3.24Å; I122-L125 PolarHBondContact O-N 3.06Å; L125-C128 WeakPolarHBondContact O-CB 3.31Å; L125-C128 PolarHBondContact O-N 3.38Å; L125-I129 WeakPolarHBondContact O-CG1 3.3Å; L125-I129 PolarHBondContact O-N 3.25Å
126G89.6Confident86Confident0 Ų056.4 Ų56.40%029%0.289CS..Hα-helixtrans-62.5-43.3177.400000112.5I122 N123 Y124 C128 I129 S130I122-G126 PolarHBondContact O-N 2.81Å; N123-G126 PolarHBondContact O-N 3.08Å; Y124-G126 VanDerWaalsContact C-N 3.33Å; Y124-G126 PolarHBondContact O-N 3.21Å; G126-C128 PolarHBondContact O-N 2.94Å; G126-I129 PolarHBondContact O-N 3.49Å; G126-S130 VanDerWaalsContact O-CB 3.3Å; G126-S130 WeakPolarHBondContact O-CB 3.46Å; G126-S130 PolarHBondContact O-N 3.1Å
127H88.4Confident87Confident7 Ų749 Ų493%0.03226%0.26CS..Hα-helixtrans-63.6-38.9174.5-79.7-60.5000112.5N123 Y124 S130 V131 N166 W169 F170N123-H127 PolarHBondContact O-CD2 3.34Å; N123-H127 PolarHBondContact O-N 2.69Å; N123-H127 PolarHBondContact OD1-CD2 3.26Å; N123-H127 VanDerWaalsContact OD1-CD2 3.22Å; N123-H127 PolarHBondContact OD1-NE2 3.12Å; Y124-H127 PolarHBondContact O-N 2.9Å; H127-S130 PolarHBondContact O-N 3.45Å; H127-V131 WeakPolarHBondContact O-CG2 3.43Å; H127-V131 PolarHBondContact O-N 3.48Å; H127-N166 PolarHBondContact CE1-OD1 2.69Å; H127-N166 VanDerWaalsContact CE1-OD1 3.31Å; H127-N166 PolarHBondContact ND1-OD1 3.01Å; H127-W169 HydrophobicContact CB-CE3 4.05Å; H127-W169 HydrophobicContact CB-CZ3 3.99Å; H127-W169 AromaticContact CD2-CD2 3.68Å; H127-W169 AromaticContact CD2-CE2 3.71Å; H127-W169 AromaticContact CD2-CE3 3.75Å; H127-W169 AromaticContact CD2-CH2 3.91Å; H127-W169 AromaticContact CD2-CZ2 3.84Å; H127-W169 AromaticContact CD2-CZ3 3.85Å; H127-W169 AromaticContact CG-CE3 3.95Å; H127-W169 AromaticContact NE2-CD2 3.95Å; H127-W169 AromaticContact NE2-CE2 3.92Å; H127-F170 HydrophobicContact CB-CE2 4.07Å; H127-F170 HydrophobicContact CB-CZ 3.89Å
128C91.3Very high87.5Confident49 Ų4945.8 Ų45.833%0.33125%0.247SC..Hα-helixtrans-60.6-50174.6-68.80000111.7Y124 L125 G126 S130 V131 G132 F170Y124-C128 PolarHBondContact O-N 2.87Å; Y124-C128 PolarHBondContact O-SG 2.8Å; Y124-C128 VanDerWaalsContact O-SG 3.33Å; L125-C128 WeakPolarHBondContact O-CB 3.31Å; L125-C128 PolarHBondContact O-N 3.38Å; G126-C128 PolarHBondContact O-N 2.94Å; C128-S130 VanDerWaalsContact C-N 3.32Å; C128-S130 PolarHBondContact O-N 3.11Å; C128-V131 PolarHBondContact O-N 2.85Å; C128-G132 PolarHBondContact O-N 3.46Å; C128-G132 VanDerWaalsContact O-N 3.07Å; C128-F170 HydrophobicContact CB-CZ 4.47Å; C128-F170 VanDerWaalsContact SG-CZ 3.56Å
129I92Very high88Confident85 Ų8546.1 Ų46.144%0.43625%0.248SC..Hα-helixtrans-61.5-43.8178.5-66.3166.4000110.2L125 G126 V131 G132 A133 F353 F356L125-I129 WeakPolarHBondContact O-CG1 3.3Å; L125-I129 PolarHBondContact O-N 3.25Å; G126-I129 PolarHBondContact O-N 3.49Å; I129-V131 PolarHBondContact O-N 3.08Å; I129-G132 PolarHBondContact O-N 3.47Å; I129-A133 WeakPolarHBondContact O-CB 3.11Å; I129-A133 PolarHBondContact O-N 3.1Å; I129-F353 HydrophobicContact CB-CE1 4.39Å; I129-F353 HydrophobicContact CD1-CE1 3.95Å; I129-F353 HydrophobicContact CD1-CZ 4.19Å; I129-F353 HydrophobicContact CG2-CE1 4.31Å; I129-F356 HydrophobicContact CG2-CD2 3.93Å; I129-F356 HydrophobicContact CG2-CE2 4.34Å; I129-F356 HydrophobicContact CG2-CG 4.43Å
130S92.6Very high88.5Confident0 Ų048.2 Ų48.20%026%0.259CS..Hα-helixtrans-60.5-45.6178.1-179.10000112G126 H127 C128 A133 L134 N166 A352 G355 F356G126-S130 VanDerWaalsContact O-CB 3.3Å; G126-S130 WeakPolarHBondContact O-CB 3.46Å; G126-S130 PolarHBondContact O-N 3.1Å; H127-S130 PolarHBondContact O-N 3.45Å; C128-S130 VanDerWaalsContact C-N 3.32Å; C128-S130 PolarHBondContact O-N 3.11Å; S130-A133 PolarHBondContact O-N 3.14Å; S130-L134 WeakPolarHBondContact O-CB 3.44Å; S130-L134 WeakPolarHBondContact O-CD1 3.42Å; S130-L134 WeakPolarHBondContact O-CG 3.23Å; S130-L134 PolarHBondContact O-N 3.24Å; S130-N166 PolarHBondContact OG-ND2 3.02Å; S130-A352 WeakPolarHBondContact CB-O 3.46Å; S130-G355 VanDerWaalsContact OG-C 3.28Å; S130-G355 WeakPolarHBondContact OG-CA 2.96Å; S130-F356 PolarHBondContact OG-N 3.24Å; S130-F356 VanDerWaalsContact OG-N 3.12Å
131V91.4Very high88.7Confident22 Ų2246.1 Ų46.113%0.13325%0.247CC..Hα-helixtrans-64.5-45.2179.7168.70000111.1H127 C128 I129 A133 L134 I135 N166 F170H127-V131 WeakPolarHBondContact O-CG2 3.43Å; H127-V131 PolarHBondContact O-N 3.48Å; C128-V131 PolarHBondContact O-N 2.85Å; I129-V131 PolarHBondContact O-N 3.08Å; V131-A133 VanDerWaalsContact C-N 3.35Å; V131-A133 PolarHBondContact O-N 3.18Å; V131-L134 PolarHBondContact O-N 2.94Å; V131-I135 HydrophobicContact CG1-CD1 3.58Å; V131-I135 HydrophobicContact CG1-CG1 4.21Å; V131-I135 VanDerWaalsContact O-CG1 3.29Å; V131-I135 WeakPolarHBondContact O-CG1 3.39Å; V131-I135 PolarHBondContact O-N 2.98Å; V131-N166 HydrophobicContact CG2-CB 3.34Å; V131-F170 HydrophobicContact CG2-CE2 3.96Å
132G92.9Very high88.6Confident37 Ų3745.3 Ų45.338%0.38124%0.243SC..Hα-helixtrans-56.4-48.6176.900000112.2C128 I129 L134 I135 V136C128-G132 PolarHBondContact O-N 3.46Å; C128-G132 VanDerWaalsContact O-N 3.07Å; I129-G132 PolarHBondContact O-N 3.47Å; G132-L134 PolarHBondContact O-N 3.43Å; G132-I135 PolarHBondContact O-N 3.46Å; G132-V136 WeakPolarHBondContact O-CG2 3.38Å; G132-V136 PolarHBondContact O-N 3.41Å; G132-V136 VanDerWaalsContact O-N 3.15Å
133A92.2Very high88.5Confident13 Ų1346.7 Ų46.711%0.10726%0.257CS..Hα-helixtrans-64-41.2178.400000112.9I129 S130 V131 V136 A137 F356 S359 F364I129-A133 WeakPolarHBondContact O-CB 3.11Å; I129-A133 PolarHBondContact O-N 3.1Å; S130-A133 PolarHBondContact O-N 3.14Å; V131-A133 VanDerWaalsContact C-N 3.35Å; V131-A133 PolarHBondContact O-N 3.18Å; A133-V136 PolarHBondContact O-N 2.78Å; A133-A137 WeakPolarHBondContact O-CB 3.34Å; A133-A137 PolarHBondContact O-N 3.24Å; A133-F356 HydrophobicContact CB-CD2 3.82Å; A133-F356 HydrophobicContact CB-CE2 4.47Å; A133-S359 WeakPolarHBondContact CB-OG 3.45Å; A133-F364 HydrophobicContact CB-CE2 4.3Å
134L91.6Very high88.2Confident0 Ų046.7 Ų46.70%026%0.257CS..Hα-helixtrans-65.8-39.2177.6-73.2164.4000112.5S130 V131 G132 A137 F138 I159 F162 I163 N166S130-L134 WeakPolarHBondContact O-CB 3.44Å; S130-L134 WeakPolarHBondContact O-CD1 3.42Å; S130-L134 WeakPolarHBondContact O-CG 3.23Å; S130-L134 PolarHBondContact O-N 3.24Å; V131-L134 PolarHBondContact O-N 2.94Å; G132-L134 PolarHBondContact O-N 3.43Å; L134-A137 PolarHBondContact O-N 3.02Å; L134-F138 VanDerWaalsContact O-CB 3.3Å; L134-F138 WeakPolarHBondContact O-CB 3.44Å; L134-F138 PolarHBondContact O-N 3.34Å; L134-I159 HydrophobicContact CD2-CG2 3.97Å; L134-F162 HydrophobicContact CD1-CB 3.73Å; L134-F162 HydrophobicContact CD2-CB 4.07Å; L134-I163 HydrophobicContact CB-CD1 4.25Å; L134-I163 HydrophobicContact CB-CG1 3.73Å; L134-I163 HydrophobicContact CD1-CG1 4.29Å; L134-N166 WeakPolarHBondContact CD1-ND2 3.34Å
135I91.6Very high87.4Confident75 Ų7549.9 Ų49.939%0.38527%0.268SS..Hα-helixtrans-63.6-46.1176.6-70.5169000110.1V131 G132 A137 F138 I139V131-I135 HydrophobicContact CG1-CD1 3.58Å; V131-I135 HydrophobicContact CG1-CG1 4.21Å; V131-I135 VanDerWaalsContact O-CG1 3.29Å; V131-I135 WeakPolarHBondContact O-CG1 3.39Å; V131-I135 PolarHBondContact O-N 2.98Å; G132-I135 PolarHBondContact O-N 3.46Å; I135-A137 VanDerWaalsContact C-N 3.33Å; I135-A137 PolarHBondContact O-N 3.21Å; I135-F138 WeakPolarHBondContact O-CB 3.4Å; I135-F138 PolarHBondContact O-N 3.11Å; I135-I139 HydrophobicContact CG2-CD1 3.82Å; I135-I139 HydrophobicContact CG2-CG1 4.46Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.09Å; I135-I139 PolarHBondContact O-N 2.96Å
136V91.3Very high86.1Confident75 Ų7551.2 Ų51.246%0.45529%0.286SS..Hα-helixtrans-59.9-45.9176.11760000110.5G132 A133 F138 I139 L140 F364G132-V136 WeakPolarHBondContact O-CG2 3.38Å; G132-V136 PolarHBondContact O-N 3.41Å; G132-V136 VanDerWaalsContact O-N 3.15Å; A133-V136 PolarHBondContact O-N 2.78Å; V136-F138 VanDerWaalsContact C-N 3.34Å; V136-F138 PolarHBondContact O-N 3.01Å; V136-I139 PolarHBondContact O-N 2.92Å; V136-L140 HydrophobicContact CG1-CD1 4.27Å; V136-L140 WeakPolarHBondContact O-CG 3.32Å; V136-L140 PolarHBondContact O-N 2.85Å; V136-F364 HydrophobicContact CB-CZ 4.15Å; V136-F364 HydrophobicContact CG1-CE1 3.86Å; V136-F364 HydrophobicContact CG1-CZ 3.95Å
137A88.4Confident85.1Confident0 Ų052.8 Ų52.80%029%0.293CS..Hα-helixtrans-59.4-44.617600000112A133 L134 I135 I139 L140 F141 C363 F364A133-A137 WeakPolarHBondContact O-CB 3.34Å; A133-A137 PolarHBondContact O-N 3.24Å; L134-A137 PolarHBondContact O-N 3.02Å; I135-A137 VanDerWaalsContact C-N 3.33Å; I135-A137 PolarHBondContact O-N 3.21Å; A137-I139 PolarHBondContact O-N 3.47Å; A137-L140 PolarHBondContact O-N 3.19Å; A137-F141 WeakPolarHBondContact O-CD2 3.3Å; A137-F141 PolarHBondContact O-N 2.92Å; A137-C363 HydrophobicContact CB-CB 3.74Å; A137-F364 HydrophobicContact CB-CZ 4.45Å
138F88.1Confident84.5Confident55 Ų5560 Ų6024%0.24132%0.321CS..Hα-helixtrans-60.2-45.5177.9-171.8-95.8000111.8L134 I135 V136 L140 F141 L142 W156 I163L134-F138 VanDerWaalsContact O-CB 3.3Å; L134-F138 WeakPolarHBondContact O-CB 3.44Å; L134-F138 PolarHBondContact O-N 3.34Å; I135-F138 WeakPolarHBondContact O-CB 3.4Å; I135-F138 PolarHBondContact O-N 3.11Å; V136-F138 VanDerWaalsContact C-N 3.34Å; V136-F138 PolarHBondContact O-N 3.01Å; F138-L140 PolarHBondContact O-N 3.36Å; F138-F141 PolarHBondContact O-N 3.1Å; F138-L142 HydrophobicContact CD1-CD1 3.74Å; F138-L142 HydrophobicContact CD1-CG 4.16Å; F138-L142 HydrophobicContact CE1-CD1 3.51Å; F138-L142 HydrophobicContact CE1-CD2 4.37Å; F138-L142 HydrophobicContact CE1-CG 4.01Å; F138-L142 HydrophobicContact CZ-CD1 4.44Å; F138-L142 WeakPolarHBondContact O-CG 3.49Å; F138-L142 PolarHBondContact O-N 2.89Å; F138-W156 AromaticContact CD2-NE1 3.59Å; F138-W156 AromaticContact CE2-CD1 3.91Å; F138-W156 AromaticContact CE2-CE2 3.85Å; F138-W156 HydrophobicContact CE2-CZ2 4.19Å; F138-W156 AromaticContact CE2-NE1 3.08Å; F138-W156 HydrophobicContact CZ-CZ2 4.21Å; F138-W156 AromaticContact CZ-NE1 3.73Å; F138-I163 HydrophobicContact CB-CD1 3.94Å; F138-I163 HydrophobicContact CD2-CD1 3.97Å; F138-I163 HydrophobicContact CG-CD1 4.09Å
139I87.6Confident83.8Confident88 Ų8860.9 Ų60.945%0.45133%0.326SS..Hα-helixtrans-62.1-42.3176.2-67.4167.2000111.1I135 V136 A137 F141 L142 C143I135-I139 HydrophobicContact CG2-CD1 3.82Å; I135-I139 HydrophobicContact CG2-CG1 4.46Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.09Å; I135-I139 PolarHBondContact O-N 2.96Å; V136-I139 PolarHBondContact O-N 2.92Å; A137-I139 PolarHBondContact O-N 3.47Å; I139-F141 PolarHBondContact O-N 3.45Å; I139-L142 PolarHBondContact O-N 3.38Å; I139-C143 WeakPolarHBondContact O-CB 3.47Å; I139-C143 PolarHBondContact O-N 2.9Å; I139-C143 PolarHBondContact O-SG 3.2Å; I139-C143 VanDerWaalsContact O-SG 3.38Å
140L85.6Confident83.4Confident47 Ų4758.9 Ų58.925%0.24632%0.316CS..Hα-helixtrans-59.8-45.3176.5-72.4173.4000111.5V136 A137 F138 L142 C143 L144 F364 V373V136-L140 HydrophobicContact CG1-CD1 4.27Å; V136-L140 WeakPolarHBondContact O-CG 3.32Å; V136-L140 PolarHBondContact O-N 2.85Å; A137-L140 PolarHBondContact O-N 3.19Å; F138-L140 PolarHBondContact O-N 3.36Å; L140-L142 PolarHBondContact O-N 3.31Å; L140-C143 PolarHBondContact O-N 2.96Å; L140-L144 WeakPolarHBondContact O-CB 3.46Å; L140-L144 WeakPolarHBondContact O-CG 3.37Å; L140-L144 PolarHBondContact O-N 3.45Å; L140-L144 VanDerWaalsContact O-N 3.08Å; L140-F364 HydrophobicContact CD1-CD1 4.07Å; L140-F364 HydrophobicContact CD1-CE1 3.74Å; L140-V373 HydrophobicContact CD2-CG2 4.14Å
141F80.4Confident82.9Confident25 Ų2563.1 Ų63.111%0.1133%0.332CS..Hα-helixtrans-65.1-36.2176.5-77.3-66.2000113.1A137 F138 I139 L144 I159 C363 V369A137-F141 WeakPolarHBondContact O-CD2 3.3Å; A137-F141 PolarHBondContact O-N 2.92Å; F138-F141 PolarHBondContact O-N 3.1Å; I139-F141 PolarHBondContact O-N 3.45Å; F141-L144 PolarHBondContact O-N 3.39Å; F141-I159 HydrophobicContact CD2-CD1 3.94Å; F141-I159 HydrophobicContact CE2-CD1 3.49Å; F141-I159 VanDerWaalsContact CE2-CD1 3.49Å; F141-I159 HydrophobicContact CZ-CD1 4.44Å; F141-C363 HydrophobicContact CE2-CB 3.69Å; F141-C363 VanDerWaalsContact CE2-SG 3.59Å; F141-C363 HydrophobicContact CZ-CB 4.1Å; F141-V369 HydrophobicContact CE1-CG2 4.09Å; F141-V369 HydrophobicContact CZ-CG2 4.31Å
142L82.1Confident82.6Confident84 Ų8462.6 Ų62.644%0.4433%0.329SS..Hα-helixtrans-63.4-45.4174.5-72.7179.6000112.1F138 I139 L140 L144F138-L142 HydrophobicContact CD1-CD1 3.74Å; F138-L142 HydrophobicContact CD1-CG 4.16Å; F138-L142 HydrophobicContact CE1-CD1 3.51Å; F138-L142 HydrophobicContact CE1-CD2 4.37Å; F138-L142 HydrophobicContact CE1-CG 4.01Å; F138-L142 HydrophobicContact CZ-CD1 4.44Å; F138-L142 WeakPolarHBondContact O-CG 3.49Å; F138-L142 PolarHBondContact O-N 2.89Å; I139-L142 PolarHBondContact O-N 3.38Å; L140-L142 PolarHBondContact O-N 3.31Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 PolarHBondContact O-N 3.27Å
143C82.3Confident82.2Confident86 Ų8663 Ų6358%0.58132%0.322SS*.Hα-helixtrans-66-30.2179.3-74.10000112.7I139 L140 R145I139-C143 WeakPolarHBondContact O-CB 3.47Å; I139-C143 PolarHBondContact O-N 2.9Å; I139-C143 PolarHBondContact O-SG 3.2Å; I139-C143 VanDerWaalsContact O-SG 3.38Å; L140-C143 PolarHBondContact O-N 2.96Å; C143-R145 PolarHBondContact O-N 3.43Å
144L76Confident82.1Confident20 Ų2062.5 Ų62.511%0.10532%0.317CS..  trans-9554.7-176.3-62.1174000112.2L140 F141 L142 S146 I147 V369 A372 V373L140-L144 WeakPolarHBondContact O-CB 3.46Å; L140-L144 WeakPolarHBondContact O-CG 3.37Å; L140-L144 PolarHBondContact O-N 3.45Å; L140-L144 VanDerWaalsContact O-N 3.08Å; F141-L144 PolarHBondContact O-N 3.39Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 PolarHBondContact O-N 3.27Å; L144-S146 PolarHBondContact O-N 3.43Å; L144-I147 HydrophobicContact CB-CD1 4.25Å; L144-I147 HydrophobicContact CD1-CD1 4.45Å; L144-I147 PolarHBondContact O-N 2.87Å; L144-V369 HydrophobicContact CD1-CG1 3.98Å; L144-A372 HydrophobicContact CD1-CB 4.17Å; L144-A372 HydrophobicContact CD2-CB 3.93Å; L144-V373 HydrophobicContact CD1-CG2 4Å
145R70.1Confident81.8Confident184 Ų18463.2 Ų63.269%0.69432%0.321SS*.G310 helixtrans-50.7-25.5178.7-177171.8179.5162.1-0.5114.4C143 I147C143-R145 PolarHBondContact O-N 3.43Å; R145-I147 PolarHBondContact O-N 3.45Å
146S63.1Low81.6Confident124 Ų12464.7 Ų64.787%0.86732%0.321SS*.G310 helixtrans-69.3-8.9-176.2-170.10000115.4L144L144-S146 PolarHBondContact O-N 3.43Å
147I68.8Low81.6Confident32 Ų3261.8 Ų61.816%0.16430%0.303CS..G310 helixtrans-117.525-171.5-33.1176.2000112L144 R145 C149 N152 A372L144-I147 HydrophobicContact CB-CD1 4.25Å; L144-I147 HydrophobicContact CD1-CD1 4.45Å; L144-I147 PolarHBondContact O-N 2.87Å; R145-I147 PolarHBondContact O-N 3.45Å; I147-C149 VanDerWaalsContact C-N 3.26Å; I147-C149 PolarHBondContact O-N 2.96Å; I147-N152 VanDerWaalsContact CG2-ND2 3.3Å; I147-N152 WeakPolarHBondContact CG2-ND2 3.21Å; I147-N152 WeakPolarHBondContact O-CB 3.47Å; I147-N152 PolarHBondContact O-ND2 2.95Å; I147-A372 HydrophobicContact CD1-CB 3.61Å
148R74.2Confident81.6Confident160 Ų16061.8 Ų61.860%0.60430%0.303SS*.  trans-74.574.3-178.4-69.7-177.3-176.91730.8112.3
149C78.6Confident81.7Confident67 Ų6759.2 Ų59.245%0.45329%0.292SS..  trans-93.1166.5171.3-56.70000111I147 R151 N152 I153I147-C149 VanDerWaalsContact C-N 3.26Å; I147-C149 PolarHBondContact O-N 2.96Å; C149-R151 VanDerWaalsContact C-N 3.33Å; C149-R151 PolarHBondContact O-N 3.02Å; C149-N152 PolarHBondContact O-N 3.39Å; C149-I153 WeakPolarHBondContact O-CG1 3.29Å; C149-I153 PolarHBondContact O-N 3.13Å
150L82.1Confident81.9Confident43 Ų4356.5 Ų56.523%0.22528%0.28CS..Hα-helixtrans-53.6-46.9176.5179.362.2000112.4N152 I153 I154 Y211 K227L150-N152 VanDerWaalsContact C-N 3.32Å; L150-N152 PolarHBondContact O-N 3.46Å; L150-I153 WeakPolarHBondContact O-CB 3.28Å; L150-I153 PolarHBondContact O-N 2.99Å; L150-I153 VanDerWaalsContact O-N 3.12Å; L150-I154 HydrophobicContact CG-CD1 4.4Å; L150-I154 PolarHBondContact O-N 3.33Å; L150-Y211 HydrophobicContact CD2-CD2 4.42Å; L150-Y211 HydrophobicContact CD2-CE2 3.81Å; L150-Y211 HydrophobicContact CG-CE2 4.1Å; L150-K227 HydrophobicContact CD1-CB 3.67Å
151R82.9Confident82.2Confident88 Ų8854.3 Ų54.333%0.33227%0.268SS..Hα-helixtrans-53.2-47.1174.1-178.7176.664.4-157-1.9112.5C149 I153 I154 H155 Y211 E368C149-R151 VanDerWaalsContact C-N 3.33Å; C149-R151 PolarHBondContact O-N 3.02Å; R151-I153 VanDerWaalsContact C-N 3.33Å; R151-I153 PolarHBondContact O-N 3.5Å; R151-I154 PolarHBondContact O-N 3.27Å; R151-H155 VanDerWaalsContact CG-NE2 3.26Å; R151-H155 WeakPolarHBondContact CG-NE2 3.46Å; R151-H155 PolarHBondContact O-CD2 3.31Å; R151-H155 PolarHBondContact O-N 2.93Å; R151-Y211 HydrophobicContact CB-CE1 3.8Å; R151-Y211 HydrophobicContact CG-CE1 3.95Å; R151-E368 IonicContact CZ-OE1 3.74Å; R151-E368 IonicContact CZ-OE2 3.93Å; R151-E368 IonicContact NH2-OE1 2.69Å; R151-E368 PolarHBondContact NH2-OE1 3.15Å; R151-E368 IonicContact NH2-OE2 2.77Å; R151-E368 PolarHBondContact NH2-OE2 3.38Å
152N83.8Confident82.7Confident11 Ų1153.1 Ų53.16%0.05926%0.263CS..Hα-helixtrans-71.2-28.5-179.7-78.513.3000112.5I147 C149 L150 W156I147-N152 VanDerWaalsContact CG2-ND2 3.3Å; I147-N152 WeakPolarHBondContact CG2-ND2 3.21Å; I147-N152 WeakPolarHBondContact O-CB 3.47Å; I147-N152 PolarHBondContact O-ND2 2.95Å; C149-N152 PolarHBondContact O-N 3.39Å; L150-N152 VanDerWaalsContact C-N 3.32Å; L150-N152 PolarHBondContact O-N 3.46Å; N152-W156 WeakPolarHBondContact O-CB 3.5Å; N152-W156 PolarHBondContact O-N 3.25Å
153I86.4Confident83.2Confident47 Ų4750.5 Ų50.524%0.24125%0.249CC..Hα-helixtrans-64.6-43.8170.8-68.1165.3000110.1C149 L150 R151 W156 N157 L231C149-I153 WeakPolarHBondContact O-CG1 3.29Å; C149-I153 PolarHBondContact O-N 3.13Å; L150-I153 WeakPolarHBondContact O-CB 3.28Å; L150-I153 PolarHBondContact O-N 2.99Å; L150-I153 VanDerWaalsContact O-N 3.12Å; R151-I153 VanDerWaalsContact C-N 3.33Å; R151-I153 PolarHBondContact O-N 3.5Å; I153-W156 PolarHBondContact O-N 2.97Å; I153-N157 PolarHBondContact O-N 2.8Å; I153-N157 PolarHBondContact O-ND2 3.04Å; I153-L231 HydrophobicContact CG2-CD1 4.22Å
154I88.6Confident83.7Confident1 Ų148.8 Ų48.81%0.00523%0.234CC..Hα-helixtrans-63.7-50.4178.3-65.7169.4000110.5L150 R151 W156 N157 L158 W204 V207 E208 Y211L150-I154 HydrophobicContact CG-CD1 4.4Å; L150-I154 PolarHBondContact O-N 3.33Å; R151-I154 PolarHBondContact O-N 3.27Å; I154-W156 VanDerWaalsContact C-N 3.28Å; I154-W156 PolarHBondContact O-N 3.46Å; I154-N157 PolarHBondContact O-N 2.9Å; I154-L158 PolarHBondContact O-N 3.34Å; I154-W204 HydrophobicContact CB-CZ3 4.45Å; I154-W204 HydrophobicContact CG1-CZ3 4.46Å; I154-W204 HydrophobicContact CG2-CE3 4.4Å; I154-W204 HydrophobicContact CG2-CZ3 4.2Å; I154-V207 HydrophobicContact CG1-CG1 4.49Å; I154-V207 HydrophobicContact CG2-CG1 4.18Å; I154-E208 HydrophobicContact CG2-CB 4.05Å; I154-Y211 HydrophobicContact CD1-CD1 3.87Å; I154-Y211 HydrophobicContact CD1-CD2 3.6Å; I154-Y211 HydrophobicContact CD1-CE1 4.43Å; I154-Y211 HydrophobicContact CD1-CE2 4.21Å; I154-Y211 HydrophobicContact CD1-CG 3.42Å; I154-Y211 VanDerWaalsContact CD1-CG 3.42Å
155H86Confident84.4Confident16 Ų1648.2 Ų48.27%0.07423%0.23CC..Hα-helixtrans-59.4-38176.6-65.1-45.6000112.5R151 L158 I159 E208 Y362R151-H155 VanDerWaalsContact CG-NE2 3.26Å; R151-H155 WeakPolarHBondContact CG-NE2 3.46Å; R151-H155 PolarHBondContact O-CD2 3.31Å; R151-H155 PolarHBondContact O-N 2.93Å; H155-L158 PolarHBondContact O-N 3.38Å; H155-I159 WeakPolarHBondContact O-CB 3.41Å; H155-I159 VanDerWaalsContact O-CG1 3.28Å; H155-I159 WeakPolarHBondContact O-CG1 3.43Å; H155-I159 PolarHBondContact O-N 3.21Å; H155-E208 IonicContact CE1-OE1 3.51Å; H155-E208 PolarHBondContact CE1-OE1 3.47Å; H155-E208 IonicContact CG-OE1 2.66Å; H155-E208 IonicContact ND1-OE1 3.78Å; H155-E208 PolarHBondContact ND1-OE1 2.97Å; H155-Y362 AromaticContact CE1-CD1 3.51Å; H155-Y362 AromaticContact CE1-CE1 3.38Å; H155-Y362 WeakPolarHBondContact CE1-CE1 3.2Å; H155-Y362 AromaticContact CE1-CZ 3.99Å; H155-Y362 AromaticContact ND1-CD1 3.79Å; H155-Y362 AromaticContact ND1-CE1 3.85Å
156W86.9Confident85.4Confident105 Ų10539.5 Ų39.540%0.39820%0.197SC..Hα-helixtrans-65.3-43.4178.3-176.556.9000112.5F138 N152 I153 I154 T160F138-W156 AromaticContact CD2-NE1 3.59Å; F138-W156 AromaticContact CE2-CD1 3.91Å; F138-W156 AromaticContact CE2-CE2 3.85Å; F138-W156 HydrophobicContact CE2-CZ2 4.19Å; F138-W156 AromaticContact CE2-NE1 3.08Å; F138-W156 HydrophobicContact CZ-CZ2 4.21Å; F138-W156 AromaticContact CZ-NE1 3.73Å; N152-W156 WeakPolarHBondContact O-CB 3.5Å; N152-W156 PolarHBondContact O-N 3.25Å; I153-W156 PolarHBondContact O-N 2.97Å; I154-W156 VanDerWaalsContact C-N 3.28Å; I154-W156 PolarHBondContact O-N 3.46Å; W156-T160 WeakPolarHBondContact O-CB 3.24Å; W156-T160 PolarHBondContact O-N 3.48Å; W156-T160 PolarHBondContact O-OG1 2.93Å
157N90.9Very high86.7Confident14 Ų1436.4 Ų36.48%0.07517%0.173CC..Hα-helixtrans-64.5-43.5173.7-77.9-82.9000111.2I153 I154 I159 T160 T161 W204 W235I153-N157 PolarHBondContact O-N 2.8Å; I153-N157 PolarHBondContact O-ND2 3.04Å; I154-N157 PolarHBondContact O-N 2.9Å; N157-I159 PolarHBondContact O-N 3.33Å; N157-T160 WeakPolarHBondContact O-CB 3.28Å; N157-T160 PolarHBondContact O-N 2.89Å; N157-T160 VanDerWaalsContact O-N 3.14Å; N157-T161 WeakPolarHBondContact O-CG2 3.5Å; N157-T161 PolarHBondContact O-N 3.43Å; N157-W204 HydrophobicContact CB-CD2 3.76Å; N157-W204 HydrophobicContact CB-CE3 3.66Å; N157-W204 HydrophobicContact CB-CH2 3.33Å; N157-W204 HydrophobicContact CB-CZ2 3.42Å; N157-W204 VanDerWaalsContact CB-CZ2 3.42Å; N157-W204 HydrophobicContact CB-CZ3 3.46Å; N157-W204 VanDerWaalsContact CB-CZ3 3.46Å; N157-W204 VanDerWaalsContact CG-CH2 3.46Å; N157-W235 PolarHBondContact OD1-NE1 3.45Å
158L89.6Confident87.6Confident1 Ų136.8 Ų36.81%0.00518%0.175CC..Hα-helixtrans-57.9-50.7176.3-178.468.4000111.8I154 H155 T160 T161 F162 W204 M205 E208 V358 Y362I154-L158 PolarHBondContact O-N 3.34Å; H155-L158 PolarHBondContact O-N 3.38Å; L158-T160 VanDerWaalsContact C-N 3.25Å; L158-T160 PolarHBondContact O-N 3.36Å; L158-T161 PolarHBondContact O-N 3.16Å; L158-T161 VanDerWaalsContact O-N 3.13Å; L158-T161 PolarHBondContact O-OG1 3.02Å; L158-F162 HydrophobicContact CD1-CD2 4.25Å; L158-F162 HydrophobicContact CD1-CE2 3.74Å; L158-F162 HydrophobicContact CD2-CE2 4.35Å; L158-F162 HydrophobicContact CG-CD2 4.08Å; L158-F162 HydrophobicContact CG-CE2 3.81Å; L158-F162 VanDerWaalsContact O-CD2 3.3Å; L158-F162 WeakPolarHBondContact O-CD2 3.41Å; L158-F162 PolarHBondContact O-N 3.46Å; L158-F162 VanDerWaalsContact O-N 3.11Å; L158-W204 HydrophobicContact CD1-CB 3.8Å; L158-M205 HydrophobicContact CD1-CG 3.75Å; L158-E208 WeakPolarHBondContact CD2-OE1 3.3Å; L158-E208 WeakPolarHBondContact CD2-OE2 3.37Å; L158-V358 HydrophobicContact CD2-CG1 4.44Å; L158-Y362 HydrophobicContact CD2-CE2 4.19Å
159I89.8Confident88.2Confident1 Ų130 Ų301%0.00515%0.149CC..Hα-helixtrans-57.6-41.2176.1-70.9168000110.7L134 F141 H155 N157 T161 F162 I163 V358L134-I159 HydrophobicContact CD2-CG2 3.97Å; F141-I159 HydrophobicContact CD2-CD1 3.94Å; F141-I159 HydrophobicContact CE2-CD1 3.49Å; F141-I159 VanDerWaalsContact CE2-CD1 3.49Å; F141-I159 HydrophobicContact CZ-CD1 4.44Å; H155-I159 WeakPolarHBondContact O-CB 3.41Å; H155-I159 VanDerWaalsContact O-CG1 3.28Å; H155-I159 WeakPolarHBondContact O-CG1 3.43Å; H155-I159 PolarHBondContact O-N 3.21Å; N157-I159 PolarHBondContact O-N 3.33Å; I159-T161 PolarHBondContact O-N 3.18Å; I159-F162 PolarHBondContact O-N 3.08Å; I159-I163 HydrophobicContact CG2-CD1 4.04Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 2.98Å; I159-V358 HydrophobicContact CG1-CG1 4.46Å
160T91.2Very high88.7Confident31 Ų3129.3 Ų29.319%0.1914%0.139CC..Hα-helixtrans-61.7-43.4177.5-58.60000111.3W156 N157 L158 F162 I163 L164W156-T160 WeakPolarHBondContact O-CB 3.24Å; W156-T160 PolarHBondContact O-N 3.48Å; W156-T160 PolarHBondContact O-OG1 2.93Å; N157-T160 WeakPolarHBondContact O-CB 3.28Å; N157-T160 PolarHBondContact O-N 2.89Å; N157-T160 VanDerWaalsContact O-N 3.14Å; L158-T160 VanDerWaalsContact C-N 3.25Å; L158-T160 PolarHBondContact O-N 3.36Å; T160-F162 VanDerWaalsContact C-N 3.31Å; T160-F162 PolarHBondContact O-N 3.37Å; T160-I163 PolarHBondContact O-N 2.93Å; T160-L164 HydrophobicContact CG2-CD1 3.91Å; T160-L164 HydrophobicContact CG2-CG 4.38Å; T160-L164 WeakPolarHBondContact O-CG 3.47Å; T160-L164 PolarHBondContact O-N 3.28Å
161T92.9Very high88.8Confident0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-63-36.6175.665.80000112.8N157 L158 I159 L164 R165 T200 N201 W204 W235N157-T161 WeakPolarHBondContact O-CG2 3.5Å; N157-T161 PolarHBondContact O-N 3.43Å; L158-T161 PolarHBondContact O-N 3.16Å; L158-T161 VanDerWaalsContact O-N 3.13Å; L158-T161 PolarHBondContact O-OG1 3.02Å; I159-T161 PolarHBondContact O-N 3.18Å; T161-L164 PolarHBondContact O-N 2.88Å; T161-R165 WeakPolarHBondContact O-CB 3.38Å; T161-R165 PolarHBondContact O-N 3.29Å; T161-T200 HydrophobicContact CG2-CG2 3.81Å; T161-N201 PolarHBondContact OG1-ND2 3.11Å; T161-W204 HydrophobicContact CG2-CB 4.26Å; T161-W204 HydrophobicContact CG2-CG 3.86Å; T161-W235 HydrophobicContact CG2-CH2 3.87Å; T161-W235 HydrophobicContact CG2-CZ2 4.14Å; T161-W235 HydrophobicContact CG2-CZ3 4.42Å
162F91.4Very high88.6Confident1 Ų127 Ų270%0.00413%0.133CC..Hα-helixtrans-65.3-41.3174.7-83.2-72.5000112.1L134 L158 I159 T160 N166 N201 M205 Q354 V358L134-F162 HydrophobicContact CD1-CB 3.73Å; L134-F162 HydrophobicContact CD2-CB 4.07Å; L158-F162 HydrophobicContact CD1-CD2 4.25Å; L158-F162 HydrophobicContact CD1-CE2 3.74Å; L158-F162 HydrophobicContact CD2-CE2 4.35Å; L158-F162 HydrophobicContact CG-CD2 4.08Å; L158-F162 HydrophobicContact CG-CE2 3.81Å; L158-F162 VanDerWaalsContact O-CD2 3.3Å; L158-F162 WeakPolarHBondContact O-CD2 3.41Å; L158-F162 PolarHBondContact O-N 3.46Å; L158-F162 VanDerWaalsContact O-N 3.11Å; I159-F162 PolarHBondContact O-N 3.08Å; T160-F162 VanDerWaalsContact C-N 3.31Å; T160-F162 PolarHBondContact O-N 3.37Å; F162-N166 WeakPolarHBondContact O-CB 3.28Å; F162-N166 VanDerWaalsContact O-CG 3.27Å; F162-N166 PolarHBondContact O-N 3.34Å; F162-N166 PolarHBondContact O-ND2 3.43Å; F162-N201 WeakPolarHBondContact CD2-ND2 3.3Å; F162-N201 WeakPolarHBondContact CE2-ND2 3.27Å; F162-N201 WeakPolarHBondContact CZ-ND2 3.42Å; F162-M205 HydrophobicContact CZ-SD 4.14Å; F162-Q354 HydrophobicContact CE1-CB 4.23Å; F162-Q354 HydrophobicContact CE1-CG 3.81Å; F162-Q354 HydrophobicContact CZ-CG 4.13Å; F162-V358 HydrophobicContact CD2-CG1 4.2Å; F162-V358 HydrophobicContact CD2-CG2 4.5Å; F162-V358 HydrophobicContact CE2-CB 4.41Å; F162-V358 HydrophobicContact CE2-CG1 4.09Å; F162-V358 HydrophobicContact CE2-CG2 3.8Å; F162-V358 HydrophobicContact CZ-CG2 3.93Å
163I91.9Very high88.4Confident28 Ų2830.2 Ų30.214%0.14415%0.147CC..Hα-helixtrans-61.1-51.3175.1-66.6168.4000109.7L134 F138 I159 T160 R165 N166 V167L134-I163 HydrophobicContact CB-CD1 4.25Å; L134-I163 HydrophobicContact CB-CG1 3.73Å; L134-I163 HydrophobicContact CD1-CG1 4.29Å; F138-I163 HydrophobicContact CB-CD1 3.94Å; F138-I163 HydrophobicContact CD2-CD1 3.97Å; F138-I163 HydrophobicContact CG-CD1 4.09Å; I159-I163 HydrophobicContact CG2-CD1 4.04Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 2.98Å; T160-I163 PolarHBondContact O-N 2.93Å; I163-R165 PolarHBondContact O-N 3.37Å; I163-N166 PolarHBondContact O-N 3.09Å; I163-V167 HydrophobicContact CG2-CG2 4.18Å; I163-V167 WeakPolarHBondContact O-CB 3.43Å; I163-V167 VanDerWaalsContact O-CG2 3.26Å; I163-V167 WeakPolarHBondContact O-CG2 3.42Å; I163-V167 PolarHBondContact O-N 3.14Å
164L92.8Very high87.9Confident51 Ų5134.4 Ų34.427%0.26717%0.17SC..Hα-helixtrans-61.3-44.1-178.9-67.1169.3000111.9T160 T161 N166 V167 M168 F197 W235T160-L164 HydrophobicContact CG2-CD1 3.91Å; T160-L164 HydrophobicContact CG2-CG 4.38Å; T160-L164 WeakPolarHBondContact O-CG 3.47Å; T160-L164 PolarHBondContact O-N 3.28Å; T161-L164 PolarHBondContact O-N 2.88Å; L164-N166 PolarHBondContact O-N 3Å; L164-V167 PolarHBondContact O-N 3.42Å; L164-M168 WeakPolarHBondContact O-CB 3.2Å; L164-M168 WeakPolarHBondContact O-CG 3.42Å; L164-M168 PolarHBondContact O-N 3.15Å; L164-F197 HydrophobicContact CB-CD1 3.67Å; L164-F197 HydrophobicContact CB-CD2 4.41Å; L164-F197 HydrophobicContact CB-CE1 3.79Å; L164-F197 HydrophobicContact CB-CE2 4.42Å; L164-F197 HydrophobicContact CB-CG 4Å; L164-F197 HydrophobicContact CB-CZ 4.14Å; L164-F197 HydrophobicContact CD1-CD1 4.02Å; L164-F197 HydrophobicContact CD1-CE1 3.54Å; L164-F197 HydrophobicContact CD1-CZ 4.18Å; L164-F197 HydrophobicContact CD2-CE1 4.45Å; L164-F197 HydrophobicContact CD2-CZ 4.31Å; L164-F197 HydrophobicContact CG-CD1 4.43Å; L164-F197 HydrophobicContact CG-CE1 4.12Å; L164-F197 HydrophobicContact CG-CZ 4.44Å; L164-W235 HydrophobicContact CD1-CH2 3.97Å; L164-W235 HydrophobicContact CD1-CZ3 4.46Å
165R91.2Very high87Confident8 Ų836.4 Ų36.43%0.0318%0.18CC..Hα-helixtrans-59.1-46.8175.9-173.6-175.277.4168.115111.9T161 I163 W169 F197 V198 N201T161-R165 WeakPolarHBondContact O-CB 3.38Å; T161-R165 PolarHBondContact O-N 3.29Å; I163-R165 PolarHBondContact O-N 3.37Å; R165-W169 WeakPolarHBondContact O-CB 3.16Å; R165-W169 PolarHBondContact O-N 3.44Å; R165-F197 HydrophobicContact CB-CB 4.37Å; R165-V198 HydrophobicContact CG-CG2 4.07Å; R165-N201 PolarHBondContact NH1-OD1 3.48Å
166N90.1Very high85.7Confident0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-69.7-41.7-179.9-73.4-37.4000112.2H127 S130 V131 L134 F162 I163 L164 M168 W169 F170H127-N166 PolarHBondContact CE1-OD1 2.69Å; H127-N166 VanDerWaalsContact CE1-OD1 3.31Å; H127-N166 PolarHBondContact ND1-OD1 3.01Å; S130-N166 PolarHBondContact OG-ND2 3.02Å; V131-N166 HydrophobicContact CG2-CB 3.34Å; L134-N166 WeakPolarHBondContact CD1-ND2 3.34Å; F162-N166 WeakPolarHBondContact O-CB 3.28Å; F162-N166 VanDerWaalsContact O-CG 3.27Å; F162-N166 PolarHBondContact O-N 3.34Å; F162-N166 PolarHBondContact O-ND2 3.43Å; I163-N166 PolarHBondContact O-N 3.09Å; L164-N166 PolarHBondContact O-N 3Å; N166-M168 VanDerWaalsContact C-N 3.31Å; N166-M168 PolarHBondContact O-N 3.36Å; N166-W169 WeakPolarHBondContact O-CB 3.19Å; N166-W169 PolarHBondContact O-N 2.91Å; N166-F170 WeakPolarHBondContact O-CD2 3.46Å; N166-F170 PolarHBondContact O-N 3.44Å
167V90.1Very high84.1Confident60 Ų6042.1 Ų42.136%0.36421%0.213SC..Hα-helixtrans-59.8-44.3175.4168.90000110.4I163 L164 W169 F170 L171I163-V167 HydrophobicContact CG2-CG2 4.18Å; I163-V167 WeakPolarHBondContact O-CB 3.43Å; I163-V167 VanDerWaalsContact O-CG2 3.26Å; I163-V167 WeakPolarHBondContact O-CG2 3.42Å; I163-V167 PolarHBondContact O-N 3.14Å; L164-V167 PolarHBondContact O-N 3.42Å; V167-W169 VanDerWaalsContact C-N 3.33Å; V167-W169 PolarHBondContact O-N 3.28Å; V167-F170 PolarHBondContact O-N 3.06Å; V167-L171 HydrophobicContact CG1-CD1 4.14Å; V167-L171 HydrophobicContact CG1-CG 4.49Å; V167-L171 WeakPolarHBondContact O-CG 3Å; V167-L171 PolarHBondContact O-N 3Å
168M89Confident82.1Confident40 Ų4047.2 Ų47.220%0.19724%0.241CC..Hα-helixtrans-68.9-33178.4-67.8-73.115200112.5L164 N166 L171 L172 I193 Y194 F197L164-M168 WeakPolarHBondContact O-CB 3.2Å; L164-M168 WeakPolarHBondContact O-CG 3.42Å; L164-M168 PolarHBondContact O-N 3.15Å; N166-M168 VanDerWaalsContact C-N 3.31Å; N166-M168 PolarHBondContact O-N 3.36Å; M168-L171 HydrophobicContact CE-CD1 3.62Å; M168-L171 PolarHBondContact O-N 2.79Å; M168-L171 HydrophobicContact SD-CD1 3.63Å; M168-L172 VanDerWaalsContact O-CB 3.31Å; M168-L172 WeakPolarHBondContact O-CB 3.41Å; M168-L172 PolarHBondContact O-N 3.24Å; M168-I193 HydrophobicContact CE-CG2 4.3Å; M168-I193 HydrophobicContact CG-CG2 4.28Å; M168-I193 HydrophobicContact SD-CG2 3.62Å; M168-Y194 HydrophobicContact CB-CD2 4.06Å; M168-F197 HydrophobicContact CB-CD2 4.31Å; M168-F197 HydrophobicContact CE-CE2 4.07Å; M168-F197 HydrophobicContact CG-CD2 3.53Å; M168-F197 HydrophobicContact CG-CE2 3.67Å; M168-F197 HydrophobicContact SD-CD2 4.46Å; M168-F197 HydrophobicContact SD-CE2 4.16Å
169W87.1Confident80.3Confident17 Ų1751.2 Ų51.26%0.06426%0.261CS..Hα-helixtrans-59.6-47169.8-175.584.5000111.3N123 Y124 H127 R165 N166 V167 L171 L172 Q173 Y194N123-W169 WeakPolarHBondContact ND2-CZ2 3.34Å; Y124-W169 AromaticContact CD2-CH2 3.89Å; Y124-W169 HydrophobicContact CD2-CH2 3.89Å; Y124-W169 AromaticContact CD2-CZ3 3.91Å; Y124-W169 HydrophobicContact CD2-CZ3 3.91Å; Y124-W169 HydrophobicContact CG-CH2 4.44Å; H127-W169 HydrophobicContact CB-CE3 4.05Å; H127-W169 HydrophobicContact CB-CZ3 3.99Å; H127-W169 AromaticContact CD2-CD2 3.68Å; H127-W169 AromaticContact CD2-CE2 3.71Å; H127-W169 AromaticContact CD2-CE3 3.75Å; H127-W169 AromaticContact CD2-CH2 3.91Å; H127-W169 AromaticContact CD2-CZ2 3.84Å; H127-W169 AromaticContact CD2-CZ3 3.85Å; H127-W169 AromaticContact CG-CE3 3.95Å; H127-W169 AromaticContact NE2-CD2 3.95Å; H127-W169 AromaticContact NE2-CE2 3.92Å; R165-W169 WeakPolarHBondContact O-CB 3.16Å; R165-W169 PolarHBondContact O-N 3.44Å; N166-W169 WeakPolarHBondContact O-CB 3.19Å; N166-W169 PolarHBondContact O-N 2.91Å; V167-W169 VanDerWaalsContact C-N 3.33Å; V167-W169 PolarHBondContact O-N 3.28Å; W169-L171 PolarHBondContact O-N 3.14Å; W169-L172 PolarHBondContact O-N 3.41Å; W169-Q173 HydrophobicContact CD2-CG 3.99Å; W169-Q173 HydrophobicContact CE3-CG 4.05Å; W169-Q173 HydrophobicContact CH2-CG 3.76Å; W169-Q173 HydrophobicContact CZ2-CG 3.69Å; W169-Q173 HydrophobicContact CZ3-CG 3.94Å; W169-Q173 WeakPolarHBondContact O-CG 3.13Å; W169-Q173 PolarHBondContact O-N 3.46Å; W169-Y194 HydrophobicContact CB-CE2 3.95Å
170F87.1Confident78.7Confident53 Ų5352.8 Ų52.823%0.23227%0.268CS..Hα-helixtrans-62.3-42.3175.3-79-68.8000112.7Y124 H127 C128 V131 N166 V167 L172 Q173 L174Y124-F170 AromaticContact CD2-CE1 3.99Å; Y124-F170 HydrophobicContact CD2-CE1 3.99Å; Y124-F170 HydrophobicContact CE2-CD1 4.06Å; Y124-F170 AromaticContact CE2-CE1 3.57Å; Y124-F170 HydrophobicContact CE2-CE1 3.57Å; H127-F170 HydrophobicContact CB-CE2 4.07Å; H127-F170 HydrophobicContact CB-CZ 3.89Å; C128-F170 HydrophobicContact CB-CZ 4.47Å; C128-F170 VanDerWaalsContact SG-CZ 3.56Å; V131-F170 HydrophobicContact CG2-CE2 3.96Å; N166-F170 WeakPolarHBondContact O-CD2 3.46Å; N166-F170 PolarHBondContact O-N 3.44Å; V167-F170 PolarHBondContact O-N 3.06Å; F170-L172 PolarHBondContact O-N 3.18Å; F170-Q173 PolarHBondContact O-N 3.21Å; F170-L174 WeakPolarHBondContact O-CB 3.28Å; F170-L174 PolarHBondContact O-N 2.78Å
171L85.1Confident77Confident77 Ų7757.7 Ų57.740%0.40329%0.293SS..Hα-helixtrans-59.6-39.8175.6-70.7172000111.2V167 M168 W169 L174 I175V167-L171 HydrophobicContact CG1-CD1 4.14Å; V167-L171 HydrophobicContact CG1-CG 4.49Å; V167-L171 WeakPolarHBondContact O-CG 3Å; V167-L171 PolarHBondContact O-N 3Å; M168-L171 HydrophobicContact CE-CD1 3.62Å; M168-L171 PolarHBondContact O-N 2.79Å; M168-L171 HydrophobicContact SD-CD1 3.63Å; W169-L171 PolarHBondContact O-N 3.14Å; L171-L174 PolarHBondContact O-N 3.48Å; L171-I175 VanDerWaalsContact O-CG1 3.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.13Å; L171-I175 PolarHBondContact O-N 3.32Å
172L79.5Confident75.4Confident6 Ų666 Ų663%0.03133%0.329CS..Hα-helixtrans-69.8-36177.9-166.458.2000112.7M168 W169 F170 L174 I175 Y194 F259M168-L172 VanDerWaalsContact O-CB 3.31Å; M168-L172 WeakPolarHBondContact O-CB 3.41Å; M168-L172 PolarHBondContact O-N 3.24Å; W169-L172 PolarHBondContact O-N 3.41Å; F170-L172 PolarHBondContact O-N 3.18Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-I175 PolarHBondContact O-N 3.09Å; L172-Y194 HydrophobicContact CD2-CD1 3.91Å; L172-Y194 HydrophobicContact CD2-CD2 4.39Å; L172-Y194 HydrophobicContact CD2-CE1 4.37Å; L172-Y194 HydrophobicContact CD2-CG 3.91Å; L172-F259 HydrophobicContact CD1-CD2 3.72Å; L172-F259 HydrophobicContact CD1-CE2 4.01Å; L172-F259 HydrophobicContact CD1-CG 4.14Å; L172-F259 HydrophobicContact CD2-CD2 3.53Å; L172-F259 HydrophobicContact CD2-CE2 3.18Å; L172-F259 HydrophobicContact CD2-CZ 4.07Å; L172-F259 HydrophobicContact CG-CD2 3.68Å; L172-F259 HydrophobicContact CG-CE2 3.42Å; L172-F259 VanDerWaalsContact CG-CE2 3.42Å; L172-F259 HydrophobicContact CG-CG 4.4Å; L172-F259 HydrophobicContact CG-CZ 3.9Å
173Q77.9Confident74.2Confident78 Ų7869.7 Ų69.736%0.36435%0.349SS..Hα-helixtrans-71.1-28173-64.4-56-40.800113W169 F170 I175W169-Q173 HydrophobicContact CD2-CG 3.99Å; W169-Q173 HydrophobicContact CE3-CG 4.05Å; W169-Q173 HydrophobicContact CH2-CG 3.76Å; W169-Q173 HydrophobicContact CZ2-CG 3.69Å; W169-Q173 HydrophobicContact CZ3-CG 3.94Å; W169-Q173 WeakPolarHBondContact O-CG 3.13Å; W169-Q173 PolarHBondContact O-N 3.46Å; F170-Q173 PolarHBondContact O-N 3.21Å; Q173-I175 VanDerWaalsContact C-N 3.32Å
174L76.2Confident73.3Confident135 Ų13571.9 Ų71.971%0.70736%0.359SS*.Hα-helixtrans-75.6-22.3177.9-17464.7000112.4F170 L171 L172 D176F170-L174 WeakPolarHBondContact O-CB 3.28Å; F170-L174 PolarHBondContact O-N 2.78Å; L171-L174 PolarHBondContact O-N 3.48Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L174-D176 PolarHBondContact O-N 3.49Å
175I71.4Confident72.7Confident43 Ų4373.7 Ų73.722%0.22137%0.374CS..SBendtrans-73.580.5172.7-62.6163000107.5L171 L172 Q173L171-I175 VanDerWaalsContact O-CG1 3.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.13Å; L171-I175 PolarHBondContact O-N 3.32Å; L172-I175 PolarHBondContact O-N 3.09Å; Q173-I175 VanDerWaalsContact C-N 3.32Å
176D57.2Low72.2Confident82 Ų8281.4 Ų81.444%0.43940%0.403SS..  trans-58.1156.5178-177.344.6000112.3L174 N178 I179L174-D176 PolarHBondContact O-N 3.49Å; D176-N178 PolarHBondContact O-N 2.95Å; D176-N178 PolarHBondContact OD2-ND2 2.94Å; D176-I179 PolarHBondContact O-N 3.47Å
177H53.7Low71.8Confident159 Ų15981.6 Ų81.674%0.73640%0.404SS*.Hα-helixtrans-50.8-29.1179.1-89.1-65.9000113.2I179 H180H177-I179 PolarHBondContact O-N 3.45Å; H177-H180 WeakPolarHBondContact O-CB 3.21Å; H177-H180 PolarHBondContact O-N 3.35Å
178N48.8Very low71.5Confident121 Ų12180.4 Ų80.465%0.64739%0.393SS*.Hα-helixtrans-74.6-17-178.5-68.1-54.9000115.1D176D176-N178 PolarHBondContact O-N 2.95Å; D176-N178 PolarHBondContact OD2-ND2 2.94Å
179I52.9Low71.3Confident84 Ų8482.6 Ų82.643%0.43141%0.405SS..Hα-helixtrans-96-18.2178.6-59.4179.5000111.3D176 H177 D181 K182 N183D176-I179 PolarHBondContact O-N 3.47Å; H177-I179 PolarHBondContact O-N 3.45Å; I179-D181 PolarHBondContact O-N 3.43Å; I179-K182 PolarHBondContact O-N 3.37Å; I179-K182 VanDerWaalsContact O-N 3.14Å; I179-N183 HydrophobicContact CG2-CB 4.38Å; I179-N183 PolarHBondContact O-N 2.91Å
180H56Low71.3Confident34 Ų3483.2 Ų83.216%0.15741%0.412CS..Hα-helixtrans-55.8-37.6179.1-125.765.5000112.7H177 C187 C257H177-H180 WeakPolarHBondContact O-CB 3.21Å; H177-H180 PolarHBondContact O-N 3.35Å; H180-C187 PolarHBondContact CE1-SG 3.33Å; H180-C187 PolarHBondContact ND1-SG 2.91Å; H180-C187 VanDerWaalsContact ND1-SG 3.38Å; H180-C257 PolarHBondContact CE1-SG 3.42Å; H180-C257 VanDerWaalsContact NE2-CB 3.27Å; H180-C257 WeakPolarHBondContact NE2-CB 3.45Å
181D55.8Low71.2Confident135 Ų13580.9 Ų80.972%0.72240%0.402SS*.THydrogen-bonded Turntrans-86.8-13.6-176.9-68.1-24.6000113.6I179I179-D181 PolarHBondContact O-N 3.43Å
182K57.6Low71.3Confident174 Ų17478.6 Ų78.676%0.75739%0.391SS*.THydrogen-bonded Turntrans-100.9-32.5-175.2-68.5-173.9179.9179.30114I179I179-K182 PolarHBondContact O-N 3.37Å; I179-K182 VanDerWaalsContact O-N 3.14Å
183N67.8Low71.9Confident79 Ų7981 Ų8142%0.42240%0.404SS..  trans-132.862.9-173.4-75.4-22.3000111.9I179 P185 W186 C187I179-N183 HydrophobicContact CG2-CB 4.38Å; I179-N183 PolarHBondContact O-N 2.91Å; N183-P185 VanDerWaalsContact C-CD 3.45Å; N183-W186 HydrophobicContact CB-CB 4.18Å; N183-W186 PolarHBondContact O-N 3.43Å; N183-C187 PolarHBondContact O-N 2.86Å
184E72.3Confident72.4Confident73 Ų7379.3 Ų79.334%0.34139%0.394SS..Hα-helixtrans-48.5-46.1178.6-169.5172.9-159.400115.2W186 C187 R188 K256E184-W186 PolarHBondContact O-N 2.98Å; E184-C187 PolarHBondContact O-N 2.85Å; E184-R188 WeakPolarHBondContact O-CG 3.47Å; E184-R188 PolarHBondContact O-N 3.46Å; E184-R188 IonicContact OE1-CZ 3.08Å; E184-R188 IonicContact OE1-NE 3.01Å; E184-R188 IonicContact OE1-NH2 3.99Å; E184-R188 PolarHBondContact OE1-NH2 3.42Å; E184-R188 IonicContact OE2-NH2 2.69Å; E184-K256 WeakPolarHBondContact OE1-CA 3.21Å; E184-K256 PolarHBondContact OE1-N 3.48Å
185P79.9Confident73Confident90 Ų9073.6 Ų73.658%0.58437%0.365SS*.Hα-helixtrans-68.3-32.5-178.325.7-34.6000113.4N183 C187 R188 L189N183-P185 VanDerWaalsContact C-CD 3.45Å; P185-C187 VanDerWaalsContact C-N 3.32Å; P185-C187 PolarHBondContact O-N 3.48Å; P185-R188 PolarHBondContact O-N 2.98Å; P185-L189 WeakPolarHBondContact O-CB 3.25Å; P185-L189 PolarHBondContact O-N 3.32Å
186W80.9Confident74.1Confident169 Ų16974 Ų7464%0.6436%0.364SS*.Hα-helixtrans-66.8-37.4178.2-84105.4000111.9N183 E184 L189 S190N183-W186 HydrophobicContact CB-CB 4.18Å; N183-W186 PolarHBondContact O-N 3.43Å; E184-W186 PolarHBondContact O-N 2.98Å; W186-L189 HydrophobicContact CE3-CD2 4.48Å; W186-L189 HydrophobicContact CZ3-CD2 4.38Å; W186-S190 VanDerWaalsContact O-CB 3.29Å; W186-S190 WeakPolarHBondContact O-CB 3.4Å; W186-S190 PolarHBondContact O-N 3.48Å; W186-S190 PolarHBondContact O-OG 3.15Å
187C81.7Confident75.8Confident4 Ų471.2 Ų71.23%0.02735%0.348CS..Hα-helixtrans-71.8-39.6179.2-165.80000112H180 N183 E184 P185 S190 T191 C257H180-C187 PolarHBondContact CE1-SG 3.33Å; H180-C187 PolarHBondContact ND1-SG 2.91Å; H180-C187 VanDerWaalsContact ND1-SG 3.38Å; N183-C187 PolarHBondContact O-N 2.86Å; E184-C187 PolarHBondContact O-N 2.85Å; P185-C187 VanDerWaalsContact C-N 3.32Å; P185-C187 PolarHBondContact O-N 3.48Å; C187-S190 PolarHBondContact O-N 3.36Å; C187-T191 WeakPolarHBondContact O-CB 3.39Å; C187-T191 PolarHBondContact O-N 2.84Å; C187-T191 PolarHBondContact O-OG1 3.25Å; C187-C257 HydrophobicContact CB-CB 3.46Å; C187-C257 VanDerWaalsContact CB-CB 3.46Å; C187-C257 WeakPolarHBondContact CB-SG 3.3Å; C187-C257 WeakPolarHBondContact SG-CB 3.24Å; C187-C257 CovalentContact SG-SG 2Å; C187-C257 PolarHBondContact SG-SG 3.04Å
188R82.9Confident77.5Confident35 Ų3564.4 Ų64.413%0.13232%0.317CS..Hα-helixtrans-60.3-47.4171.7-65.9173.2-174.5-162.5-1.1111.6E184 P185 T191 T192 N254 W258E184-R188 WeakPolarHBondContact O-CG 3.47Å; E184-R188 PolarHBondContact O-N 3.46Å; E184-R188 IonicContact OE1-CZ 3.08Å; E184-R188 IonicContact OE1-NE 3.01Å; E184-R188 IonicContact OE1-NH2 3.99Å; E184-R188 PolarHBondContact OE1-NH2 3.42Å; E184-R188 IonicContact OE2-NH2 2.69Å; P185-R188 PolarHBondContact O-N 2.98Å; R188-T191 PolarHBondContact O-N 3.28Å; R188-T192 WeakPolarHBondContact O-CB 3.38Å; R188-T192 PolarHBondContact O-N 3.38Å; R188-T192 PolarHBondContact O-OG1 3.23Å; R188-N254 VanDerWaalsContact CZ-OD1 3.31Å; R188-N254 PolarHBondContact NH1-OD1 2.94Å; R188-N254 PolarHBondContact NH2-O 3.44Å; R188-N254 VanDerWaalsContact NH2-O 3.11Å; R188-N254 PolarHBondContact NH2-OD1 3.44Å; R188-W258 HydrophobicContact CB-CD2 4.29Å; R188-W258 HydrophobicContact CB-CE3 4.22Å; R188-W258 HydrophobicContact CB-CH2 4.48Å; R188-W258 HydrophobicContact CB-CZ3 4.33Å; R188-W258 HydrophobicContact CG-CD2 4.11Å; R188-W258 HydrophobicContact CG-CG 4.45Å; R188-W258 HydrophobicContact CG-CZ2 4.35Å
189L85.8Confident79.5Confident87 Ų8758.6 Ų58.646%0.45529%0.286SS..Hα-helixtrans-62.3-47.5178.2-178.761.6000111.3P185 W186 T191 T192 I193P185-L189 WeakPolarHBondContact O-CB 3.25Å; P185-L189 PolarHBondContact O-N 3.32Å; W186-L189 HydrophobicContact CE3-CD2 4.48Å; W186-L189 HydrophobicContact CZ3-CD2 4.38Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-T191 PolarHBondContact O-N 3.46Å; L189-T192 PolarHBondContact O-N 3.24Å; L189-I193 HydrophobicContact CD1-CD1 3.89Å; L189-I193 HydrophobicContact CD1-CG1 4.21Å; L189-I193 HydrophobicContact CD2-CD1 4.47Å; L189-I193 HydrophobicContact CG-CD1 3.77Å; L189-I193 HydrophobicContact CG-CG1 4.45Å; L189-I193 WeakPolarHBondContact O-CB 3.16Å; L189-I193 VanDerWaalsContact O-CG1 3.25Å; L189-I193 WeakPolarHBondContact O-CG1 3.4Å; L189-I193 PolarHBondContact O-N 3.38Å
190S87.2Confident81.5Confident29 Ų2954.6 Ų54.620%0.20327%0.266CS..Hα-helixtrans-62.2-41.5-179.7-58.50000111.9W186 C187 I193 Y194W186-S190 VanDerWaalsContact O-CB 3.29Å; W186-S190 WeakPolarHBondContact O-CB 3.4Å; W186-S190 PolarHBondContact O-N 3.48Å; W186-S190 PolarHBondContact O-OG 3.15Å; C187-S190 PolarHBondContact O-N 3.36Å; S190-I193 PolarHBondContact O-N 2.88Å; S190-Y194 WeakPolarHBondContact O-CB 3.3Å; S190-Y194 PolarHBondContact O-N 3.14Å
191T83.8Confident83.2Confident5 Ų553 Ų533%0.03126%0.258CS..Hα-helixtrans-64.8-42.2175.8-56.60000111.7C187 R188 L189 Y194 N195 W258C187-T191 WeakPolarHBondContact O-CB 3.39Å; C187-T191 PolarHBondContact O-N 2.84Å; C187-T191 PolarHBondContact O-OG1 3.25Å; R188-T191 PolarHBondContact O-N 3.28Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-T191 PolarHBondContact O-N 3.46Å; T191-Y194 PolarHBondContact O-N 3.36Å; T191-N195 PolarHBondContact O-N 3.21Å; T191-W258 HydrophobicContact CG2-CB 4.07Å
192T88.4Confident84.8Confident28 Ų2846.9 Ų46.917%0.17223%0.225CC..Hα-helixtrans-62.5-45.8176.9-54.40000111.5R188 L189 Y194 N195 Y196 I242 A246 W258R188-T192 WeakPolarHBondContact O-CB 3.38Å; R188-T192 PolarHBondContact O-N 3.38Å; R188-T192 PolarHBondContact O-OG1 3.23Å; L189-T192 PolarHBondContact O-N 3.24Å; T192-Y194 VanDerWaalsContact C-N 3.35Å; T192-N195 PolarHBondContact O-N 3.02Å; T192-Y196 WeakPolarHBondContact O-CB 3.34Å; T192-Y196 PolarHBondContact O-N 2.86Å; T192-I242 HydrophobicContact CG2-CG2 3.68Å; T192-A246 HydrophobicContact CG2-CB 4.07Å; T192-W258 VanDerWaalsContact OG1-CZ3 3.23Å; T192-W258 WeakPolarHBondContact OG1-CZ3 3.49Å
193I91.4Very high86.5Confident58 Ų5839.2 Ų39.230%0.29719%0.192SC..Hα-helixtrans-62.9-43.2177.7-69.5171.3000110.4M168 L189 S190 Y196 F197M168-I193 HydrophobicContact CE-CG2 4.3Å; M168-I193 HydrophobicContact CG-CG2 4.28Å; M168-I193 HydrophobicContact SD-CG2 3.62Å; L189-I193 HydrophobicContact CD1-CD1 3.89Å; L189-I193 HydrophobicContact CD1-CG1 4.21Å; L189-I193 HydrophobicContact CD2-CD1 4.47Å; L189-I193 HydrophobicContact CG-CD1 3.77Å; L189-I193 HydrophobicContact CG-CG1 4.45Å; L189-I193 WeakPolarHBondContact O-CB 3.16Å; L189-I193 VanDerWaalsContact O-CG1 3.25Å; L189-I193 WeakPolarHBondContact O-CG1 3.4Å; L189-I193 PolarHBondContact O-N 3.38Å; S190-I193 PolarHBondContact O-N 2.88Å; I193-Y196 WeakPolarHBondContact O-CB 3.42Å; I193-Y196 PolarHBondContact O-N 3.47Å; I193-F197 HydrophobicContact CG2-CD2 3.71Å; I193-F197 HydrophobicContact CG2-CE2 3.29Å; I193-F197 HydrophobicContact CG2-CZ 4.31Å; I193-F197 WeakPolarHBondContact O-CD2 3.34Å; I193-F197 PolarHBondContact O-N 3.44Å
194Y89.5Confident87.7Confident41 Ų4135.4 Ų35.416%0.16117%0.172CC..Hα-helixtrans-57.9-50.6174.7172.5-102.6000111.6M168 W169 L172 S190 T191 T192 Y196 F197 V198M168-Y194 HydrophobicContact CB-CD2 4.06Å; W169-Y194 HydrophobicContact CB-CE2 3.95Å; L172-Y194 HydrophobicContact CD2-CD1 3.91Å; L172-Y194 HydrophobicContact CD2-CD2 4.39Å; L172-Y194 HydrophobicContact CD2-CE1 4.37Å; L172-Y194 HydrophobicContact CD2-CG 3.91Å; S190-Y194 WeakPolarHBondContact O-CB 3.3Å; S190-Y194 PolarHBondContact O-N 3.14Å; T191-Y194 PolarHBondContact O-N 3.36Å; T192-Y194 VanDerWaalsContact C-N 3.35Å; Y194-Y196 VanDerWaalsContact C-N 3.3Å; Y194-Y196 PolarHBondContact O-N 3.01Å; Y194-F197 PolarHBondContact O-N 2.93Å; Y194-F197 VanDerWaalsContact O-N 3.13Å; Y194-V198 HydrophobicContact CD1-CG2 4.28Å; Y194-V198 HydrophobicContact CD2-CG2 4.39Å; Y194-V198 HydrophobicContact CE1-CG2 3.82Å; Y194-V198 HydrophobicContact CE2-CG2 3.94Å; Y194-V198 WeakPolarHBondContact O-CG2 3.39Å; Y194-V198 PolarHBondContact O-N 2.94Å
195N88.9Confident88.5Confident16 Ų1632.5 Ų32.59%0.08616%0.158CC..Hα-helixtrans-61.5-37.1178.3-74.5-21.3000112.2T191 T192 V198 V199 I242 W245T191-N195 PolarHBondContact O-N 3.21Å; T192-N195 PolarHBondContact O-N 3.02Å; N195-V198 PolarHBondContact O-N 3.24Å; N195-V199 WeakPolarHBondContact O-CG2 3.48Å; N195-V199 PolarHBondContact O-N 3.24Å; N195-I242 HydrophobicContact CB-CD1 3.96Å; N195-W245 WeakPolarHBondContact ND2-CH2 3.39Å; N195-W245 WeakPolarHBondContact ND2-CZ3 3.14Å
196Y93Very high88.9Confident50 Ų5030 Ų3020%0.19614%0.138CC..Hα-helixtrans-58.4-48171.4173.4-101.7000112.8T192 I193 Y194 V198 V199 T200 W235 P238 C239T192-Y196 WeakPolarHBondContact O-CB 3.34Å; T192-Y196 PolarHBondContact O-N 2.86Å; I193-Y196 WeakPolarHBondContact O-CB 3.42Å; I193-Y196 PolarHBondContact O-N 3.47Å; Y194-Y196 VanDerWaalsContact C-N 3.3Å; Y194-Y196 PolarHBondContact O-N 3.01Å; Y196-V198 VanDerWaalsContact C-N 3.32Å; Y196-V198 PolarHBondContact O-N 3.26Å; Y196-V199 PolarHBondContact O-N 2.7Å; Y196-T200 WeakPolarHBondContact O-CB 3.07Å; Y196-T200 PolarHBondContact O-N 2.68Å; Y196-T200 PolarHBondContact O-OG1 3.45Å; Y196-W235 PolarHBondContact OH-O 2.96Å; Y196-P238 HydrophobicContact CD2-CB 4.25Å; Y196-P238 HydrophobicContact CE2-CB 3.99Å; Y196-C239 HydrophobicContact CE2-CB 4.02Å
197F93.8Very high89.4Confident25 Ų2522 Ų2211%0.1111%0.108CC..Hα-helixtrans-69-30.9178-68.9-58.2000113.1L164 R165 M168 I193 Y194 N201L164-F197 HydrophobicContact CB-CD1 3.67Å; L164-F197 HydrophobicContact CB-CD2 4.41Å; L164-F197 HydrophobicContact CB-CE1 3.79Å; L164-F197 HydrophobicContact CB-CE2 4.42Å; L164-F197 HydrophobicContact CB-CG 4Å; L164-F197 HydrophobicContact CB-CZ 4.14Å; L164-F197 HydrophobicContact CD1-CD1 4.02Å; L164-F197 HydrophobicContact CD1-CE1 3.54Å; L164-F197 HydrophobicContact CD1-CZ 4.18Å; L164-F197 HydrophobicContact CD2-CE1 4.45Å; L164-F197 HydrophobicContact CD2-CZ 4.31Å; L164-F197 HydrophobicContact CG-CD1 4.43Å; L164-F197 HydrophobicContact CG-CE1 4.12Å; L164-F197 HydrophobicContact CG-CZ 4.44Å; R165-F197 HydrophobicContact CB-CB 4.37Å; M168-F197 HydrophobicContact CB-CD2 4.31Å; M168-F197 HydrophobicContact CE-CE2 4.07Å; M168-F197 HydrophobicContact CG-CD2 3.53Å; M168-F197 HydrophobicContact CG-CE2 3.67Å; M168-F197 HydrophobicContact SD-CD2 4.46Å; M168-F197 HydrophobicContact SD-CE2 4.16Å; I193-F197 HydrophobicContact CG2-CD2 3.71Å; I193-F197 HydrophobicContact CG2-CE2 3.29Å; I193-F197 HydrophobicContact CG2-CZ 4.31Å; I193-F197 WeakPolarHBondContact O-CD2 3.34Å; I193-F197 PolarHBondContact O-N 3.44Å; Y194-F197 PolarHBondContact O-N 2.93Å; Y194-F197 VanDerWaalsContact O-N 3.13Å; F197-N201 WeakPolarHBondContact O-CB 3.42Å; F197-N201 PolarHBondContact O-N 3.4Å
198V88.7Confident89.8Confident15 Ų1522.4 Ų22.49%0.09111%0.11CC..Hα-helixtrans-63.1-54172.2171.80000110.7R165 Y194 N195 Y196 T200 N201 F202R165-V198 HydrophobicContact CG-CG2 4.07Å; Y194-V198 HydrophobicContact CD1-CG2 4.28Å; Y194-V198 HydrophobicContact CD2-CG2 4.39Å; Y194-V198 HydrophobicContact CE1-CG2 3.82Å; Y194-V198 HydrophobicContact CE2-CG2 3.94Å; Y194-V198 WeakPolarHBondContact O-CG2 3.39Å; Y194-V198 PolarHBondContact O-N 2.94Å; N195-V198 PolarHBondContact O-N 3.24Å; Y196-V198 VanDerWaalsContact C-N 3.32Å; Y196-V198 PolarHBondContact O-N 3.26Å; V198-T200 PolarHBondContact O-N 2.87Å; V198-N201 WeakPolarHBondContact O-CB 3.37Å; V198-N201 PolarHBondContact O-N 3.21Å; V198-F202 HydrophobicContact CG1-CD2 4.11Å; V198-F202 HydrophobicContact CG1-CE2 3.75Å; V198-F202 WeakPolarHBondContact O-CD2 3.4Å; V198-F202 PolarHBondContact O-N 3.13Å
199V91.4Very high90Very high0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-60.2-48.1178.2176.60000110.5N195 Y196 N201 F202 F203 P238 I242 Y271 I275N195-V199 WeakPolarHBondContact O-CG2 3.48Å; N195-V199 PolarHBondContact O-N 3.24Å; Y196-V199 PolarHBondContact O-N 2.7Å; V199-N201 VanDerWaalsContact C-N 3.25Å; V199-N201 PolarHBondContact O-N 2.74Å; V199-F202 WeakPolarHBondContact O-CB 3.37Å; V199-F202 PolarHBondContact O-N 3.01Å; V199-F203 HydrophobicContact CG1-CD2 3.62Å; V199-F203 HydrophobicContact CG1-CE2 3.6Å; V199-F203 WeakPolarHBondContact O-CD2 3.31Å; V199-F203 PolarHBondContact O-N 3.22Å; V199-P238 HydrophobicContact CB-CB 4.34Å; V199-P238 HydrophobicContact CG1-CB 3.78Å; V199-P238 HydrophobicContact CG1-CG 4.3Å; V199-I242 HydrophobicContact CB-CG1 4.42Å; V199-I242 HydrophobicContact CG2-CD1 3.66Å; V199-I242 HydrophobicContact CG2-CG1 4.06Å; V199-Y271 HydrophobicContact CG2-CD2 4.1Å; V199-I275 HydrophobicContact CG2-CD1 3.91Å; V199-I275 HydrophobicContact CG2-CG1 4.21Å
200T94.2Very high90.1Very high0 Ų018.4 Ų18.40%010%0.095CC..Hα-helixtrans-56.6-39.8178.8-61.60000111.9T161 Y196 V198 F203 W204 W235 P238T161-T200 HydrophobicContact CG2-CG2 3.81Å; Y196-T200 WeakPolarHBondContact O-CB 3.07Å; Y196-T200 PolarHBondContact O-N 2.68Å; Y196-T200 PolarHBondContact O-OG1 3.45Å; V198-T200 PolarHBondContact O-N 2.87Å; T200-F203 PolarHBondContact O-N 3.32Å; T200-W204 VanDerWaalsContact O-CD1 3.32Å; T200-W204 PolarHBondContact O-N 3.14Å; T200-W235 HydrophobicContact CG2-CD2 4.32Å; T200-W235 HydrophobicContact CG2-CE3 3.61Å; T200-W235 HydrophobicContact CG2-CH2 4.41Å; T200-W235 HydrophobicContact CG2-CZ3 3.68Å; T200-P238 WeakPolarHBondContact OG1-CB 3.37Å
201N92.1Very high90.2Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-62.6-42.2175.3178.6-110.3000112.3T161 F162 R165 F197 V198 V199 W204 M205T161-N201 PolarHBondContact OG1-ND2 3.11Å; F162-N201 WeakPolarHBondContact CD2-ND2 3.3Å; F162-N201 WeakPolarHBondContact CE2-ND2 3.27Å; F162-N201 WeakPolarHBondContact CZ-ND2 3.42Å; R165-N201 PolarHBondContact NH1-OD1 3.48Å; F197-N201 WeakPolarHBondContact O-CB 3.42Å; F197-N201 PolarHBondContact O-N 3.4Å; V198-N201 WeakPolarHBondContact O-CB 3.37Å; V198-N201 PolarHBondContact O-N 3.21Å; V199-N201 VanDerWaalsContact C-N 3.25Å; V199-N201 PolarHBondContact O-N 2.74Å; N201-W204 PolarHBondContact O-N 2.97Å; N201-M205 WeakPolarHBondContact O-CG 3.38Å; N201-M205 PolarHBondContact O-N 3.01Å; N201-M205 WeakPolarHBondContact OD1-CE 3.21Å
202F90.4Very high90.3Very high6 Ų620.9 Ų20.93%0.02610%0.103CC..Hα-helixtrans-63.2-42.6173.8-74.2-70.6000112.9V198 V199 W204 M205 F206 I275 L279 Y326V198-F202 HydrophobicContact CG1-CD2 4.11Å; V198-F202 HydrophobicContact CG1-CE2 3.75Å; V198-F202 WeakPolarHBondContact O-CD2 3.4Å; V198-F202 PolarHBondContact O-N 3.13Å; V199-F202 WeakPolarHBondContact O-CB 3.37Å; V199-F202 PolarHBondContact O-N 3.01Å; F202-W204 VanDerWaalsContact C-N 3.34Å; F202-W204 PolarHBondContact O-N 2.91Å; F202-M205 HydrophobicContact CB-CE 4.31Å; F202-M205 HydrophobicContact CD1-CE 3.25Å; F202-M205 HydrophobicContact CE1-CE 3.66Å; F202-M205 HydrophobicContact CG-CE 3.89Å; F202-M205 WeakPolarHBondContact O-CB 3.46Å; F202-M205 PolarHBondContact O-N 2.93Å; F202-F206 PolarHBondContact O-N 3.4Å; F202-I275 HydrophobicContact CB-CG2 4.41Å; F202-I275 HydrophobicContact CD1-CG2 4.09Å; F202-I275 HydrophobicContact CD2-CD1 4.04Å; F202-I275 HydrophobicContact CD2-CG1 4.1Å; F202-I275 HydrophobicContact CD2-CG2 3.72Å; F202-I275 HydrophobicContact CE1-CG2 4.3Å; F202-I275 HydrophobicContact CE2-CD1 4.29Å; F202-I275 HydrophobicContact CE2-CG2 3.92Å; F202-I275 HydrophobicContact CG-CG2 3.83Å; F202-I275 HydrophobicContact CZ-CG2 4.22Å; F202-L279 HydrophobicContact CD1-CD1 4.22Å; F202-L279 HydrophobicContact CD1-CD2 3.73Å; F202-L279 HydrophobicContact CD1-CG 4.15Å; F202-L279 HydrophobicContact CE1-CD1 4Å; F202-L279 HydrophobicContact CE1-CD2 3.96Å; F202-L279 HydrophobicContact CE1-CG 4.37Å; F202-Y326 HydrophobicContact CE1-CG 4.24Å; F202-Y326 HydrophobicContact CE2-CD2 4.39Å; F202-Y326 HydrophobicContact CZ-CD1 4.28Å; F202-Y326 AromaticContact CZ-CD2 3.77Å; F202-Y326 HydrophobicContact CZ-CD2 3.77Å; F202-Y326 HydrophobicContact CZ-CE2 4.37Å; F202-Y326 AromaticContact CZ-CG 3.72Å; F202-Y326 HydrophobicContact CZ-CG 3.72Å
203F92.8Very high90.2Very high13 Ų1321.3 Ų21.36%0.05710%0.103CC..Hα-helixtrans-63.1-38.8175.5-87.8-97.3000112.3V199 T200 F206 V207 I237 P238 I241 V278V199-F203 HydrophobicContact CG1-CD2 3.62Å; V199-F203 HydrophobicContact CG1-CE2 3.6Å; V199-F203 WeakPolarHBondContact O-CD2 3.31Å; V199-F203 PolarHBondContact O-N 3.22Å; T200-F203 PolarHBondContact O-N 3.32Å; F203-F206 WeakPolarHBondContact O-CB 2.98Å; F203-F206 PolarHBondContact O-N 3.25Å; F203-V207 WeakPolarHBondContact O-CG2 3.32Å; F203-V207 PolarHBondContact O-N 3.35Å; F203-I237 HydrophobicContact CD1-CB 4.3Å; F203-I237 HydrophobicContact CD1-CG2 4.21Å; F203-I237 HydrophobicContact CE1-CB 3.99Å; F203-I237 HydrophobicContact CE1-CG2 3.41Å; F203-I237 VanDerWaalsContact CE1-CG2 3.41Å; F203-I237 HydrophobicContact CZ-CG2 3.77Å; F203-P238 HydrophobicContact CB-CG 3.94Å; F203-P238 HydrophobicContact CD1-CG 4.45Å; F203-P238 HydrophobicContact CD2-CG 3.86Å; F203-P238 HydrophobicContact CE2-CG 4.49Å; F203-P238 HydrophobicContact CG-CG 3.82Å; F203-I241 HydrophobicContact CE2-CD1 3.94Å; F203-I241 HydrophobicContact CZ-CD1 3.7Å; F203-V278 HydrophobicContact CE1-CG2 4.16Å; F203-V278 HydrophobicContact CE2-CG2 4.31Å; F203-V278 HydrophobicContact CZ-CG2 4.02Å
204W92.7Very high90Very high0 Ų020.1 Ų20.10%010%0.099CC..Hα-helixtrans-68.6-35.5174.8-88.598.5000113.2I154 N157 L158 T161 T200 N201 F202 F206 V207 E208 L231 W235I154-W204 HydrophobicContact CB-CZ3 4.45Å; I154-W204 HydrophobicContact CG1-CZ3 4.46Å; I154-W204 HydrophobicContact CG2-CE3 4.4Å; I154-W204 HydrophobicContact CG2-CZ3 4.2Å; N157-W204 HydrophobicContact CB-CD2 3.76Å; N157-W204 HydrophobicContact CB-CE3 3.66Å; N157-W204 HydrophobicContact CB-CH2 3.33Å; N157-W204 HydrophobicContact CB-CZ2 3.42Å; N157-W204 VanDerWaalsContact CB-CZ2 3.42Å; N157-W204 HydrophobicContact CB-CZ3 3.46Å; N157-W204 VanDerWaalsContact CB-CZ3 3.46Å; N157-W204 VanDerWaalsContact CG-CH2 3.46Å; L158-W204 HydrophobicContact CD1-CB 3.8Å; T161-W204 HydrophobicContact CG2-CB 4.26Å; T161-W204 HydrophobicContact CG2-CG 3.86Å; T200-W204 VanDerWaalsContact O-CD1 3.32Å; T200-W204 PolarHBondContact O-N 3.14Å; N201-W204 PolarHBondContact O-N 2.97Å; F202-W204 VanDerWaalsContact C-N 3.34Å; F202-W204 PolarHBondContact O-N 2.91Å; W204-F206 VanDerWaalsContact C-N 3.26Å; W204-F206 PolarHBondContact O-N 3.48Å; W204-V207 HydrophobicContact CE3-CB 4.18Å; W204-V207 HydrophobicContact CE3-CG1 3.97Å; W204-V207 HydrophobicContact CZ3-CB 4.47Å; W204-V207 HydrophobicContact CZ3-CG1 3.79Å; W204-V207 PolarHBondContact O-N 2.81Å; W204-E208 WeakPolarHBondContact O-CB 3.47Å; W204-E208 PolarHBondContact O-N 3.47Å; W204-L231 HydrophobicContact CH2-CD1 4.37Å; W204-L231 HydrophobicContact CH2-CG 4.37Å; W204-W235 AromaticContact CE2-CD1 3.91Å; W204-W235 AromaticContact CE2-NE1 3.61Å; W204-W235 AromaticContact CZ2-CD1 3.45Å; W204-W235 VanDerWaalsContact CZ2-CD1 3.45Å; W204-W235 HydrophobicContact CZ2-CG 4.35Å; W204-W235 AromaticContact CZ2-NE1 3.26Å; W204-W235 VanDerWaalsContact CZ2-NE1 3.26Å; W204-W235 AromaticContact NE1-CD1 3.75Å; W204-W235 AromaticContact NE1-CD2 3.71Å; W204-W235 AromaticContact NE1-CE2 3.47Å; W204-W235 AromaticContact NE1-CG 3.88Å; W204-W235 AromaticContact NE1-CZ2 3.98Å; W204-W235 AromaticContact NE1-NE1 3.49Å
205M88.1Confident89.8Confident11 Ų1119.4 Ų19.45%0.05410%0.102CC..Hα-helixtrans-61.5-37.2170.2-73.3-173.3-72.700111.4L158 F162 N201 F202 G209 L322 Q354L158-M205 HydrophobicContact CD1-CG 3.75Å; F162-M205 HydrophobicContact CZ-SD 4.14Å; N201-M205 WeakPolarHBondContact O-CG 3.38Å; N201-M205 PolarHBondContact O-N 3.01Å; N201-M205 WeakPolarHBondContact OD1-CE 3.21Å; F202-M205 HydrophobicContact CB-CE 4.31Å; F202-M205 HydrophobicContact CD1-CE 3.25Å; F202-M205 HydrophobicContact CE1-CE 3.66Å; F202-M205 HydrophobicContact CG-CE 3.89Å; F202-M205 WeakPolarHBondContact O-CB 3.46Å; F202-M205 PolarHBondContact O-N 2.93Å; M205-G209 PolarHBondContact O-N 3.22Å; M205-L322 HydrophobicContact SD-CB 4.33Å; M205-Q354 PolarHBondContact SD-NE2 2.72Å
206F89.9Confident89.6Confident38 Ų3820.7 Ų20.717%0.16711%0.108CC..Hα-helixtrans-70.4-42174.1164.4-98000113.9F202 F203 W204 E208 G209 C210 I233 V278 I281 F285F202-F206 PolarHBondContact O-N 3.4Å; F203-F206 WeakPolarHBondContact O-CB 2.98Å; F203-F206 PolarHBondContact O-N 3.25Å; W204-F206 VanDerWaalsContact C-N 3.26Å; W204-F206 PolarHBondContact O-N 3.48Å; F206-E208 PolarHBondContact O-N 3.24Å; F206-G209 PolarHBondContact O-N 2.98Å; F206-C210 VanDerWaalsContact O-CB 3.24Å; F206-C210 WeakPolarHBondContact O-CB 3.35Å; F206-C210 PolarHBondContact O-N 3.45Å; F206-I233 HydrophobicContact CD1-CG2 4.33Å; F206-I233 HydrophobicContact CE1-CG2 4.21Å; F206-V278 HydrophobicContact CB-CG1 3.24Å; F206-V278 HydrophobicContact CD2-CG1 4.08Å; F206-V278 HydrophobicContact CG-CG1 3.73Å; F206-I281 HydrophobicContact CD2-CG2 4.35Å; F206-I281 HydrophobicContact CE2-CB 4.25Å; F206-I281 HydrophobicContact CE2-CG2 3.72Å; F206-F285 HydrophobicContact CD2-CE2 4.16Å; F206-F285 AromaticContact CE2-CE2 3.69Å; F206-F285 HydrophobicContact CE2-CE2 3.69Å; F206-F285 HydrophobicContact CE2-CZ 4.32Å
207V91.3Very high89.2Confident1 Ų121.6 Ų21.61%0.00612%0.118CC..Hα-helixtrans-57.1-42.7174.1165.10000110.4I154 F203 W204 Y211 F230 I233I154-V207 HydrophobicContact CG1-CG1 4.49Å; I154-V207 HydrophobicContact CG2-CG1 4.18Å; F203-V207 WeakPolarHBondContact O-CG2 3.32Å; F203-V207 PolarHBondContact O-N 3.35Å; W204-V207 HydrophobicContact CE3-CB 4.18Å; W204-V207 HydrophobicContact CE3-CG1 3.97Å; W204-V207 HydrophobicContact CZ3-CB 4.47Å; W204-V207 HydrophobicContact CZ3-CG1 3.79Å; W204-V207 PolarHBondContact O-N 2.81Å; V207-Y211 VanDerWaalsContact O-CB 3.24Å; V207-Y211 WeakPolarHBondContact O-CB 3.31Å; V207-Y211 PolarHBondContact O-N 2.97Å; V207-F230 HydrophobicContact CG1-CB 3.87Å; V207-F230 HydrophobicContact CG1-CD1 3.84Å; V207-F230 HydrophobicContact CG1-CG 4.2Å; V207-I233 HydrophobicContact CG2-CB 4.02Å; V207-I233 HydrophobicContact CG2-CG2 3.57Å
208E88.6Confident88.5Confident12 Ų1225.3 Ų25.36%0.05614%0.137CC..Hα-helixtrans-63.5-48.1174.8-178.2175.3-116.800112.6I154 H155 L158 W204 F206 C210 Y211 L212 Y362I154-E208 HydrophobicContact CG2-CB 4.05Å; H155-E208 IonicContact CE1-OE1 3.51Å; H155-E208 PolarHBondContact CE1-OE1 3.47Å; H155-E208 IonicContact CG-OE1 2.66Å; H155-E208 IonicContact ND1-OE1 3.78Å; H155-E208 PolarHBondContact ND1-OE1 2.97Å; L158-E208 WeakPolarHBondContact CD2-OE1 3.3Å; L158-E208 WeakPolarHBondContact CD2-OE2 3.37Å; W204-E208 WeakPolarHBondContact O-CB 3.47Å; W204-E208 PolarHBondContact O-N 3.47Å; F206-E208 PolarHBondContact O-N 3.24Å; E208-C210 PolarHBondContact O-N 3.38Å; E208-Y211 PolarHBondContact O-N 3.41Å; E208-L212 WeakPolarHBondContact O-CB 3.39Å; E208-L212 PolarHBondContact O-N 3.34Å; E208-Y362 VanDerWaalsContact CD-CZ 3.43Å; E208-Y362 WeakPolarHBondContact OE1-CE2 3.37Å; E208-Y362 PolarHBondContact OE1-OH 2.92Å; E208-Y362 PolarHBondContact OE2-OH 3.33Å
209G88Confident87.8Confident7 Ų729.4 Ų29.47%0.07216%0.163CC..Hα-helixtrans-60.8-44.3177.500000113M205 F206 L212 H213M205-G209 PolarHBondContact O-N 3.22Å; F206-G209 PolarHBondContact O-N 2.98Å; G209-L212 PolarHBondContact O-N 3.45Å; G209-H213 WeakPolarHBondContact O-CB 3.42Å; G209-H213 PolarHBondContact O-N 2.92Å
210C88.6Confident86.6Confident32 Ų3239.5 Ų39.522%0.21620%0.202CC..Hα-helixtrans-63.3-43.6176.2-177.50000111.8F206 E208 T214 F285F206-C210 VanDerWaalsContact O-CB 3.24Å; F206-C210 WeakPolarHBondContact O-CB 3.35Å; F206-C210 PolarHBondContact O-N 3.45Å; E208-C210 PolarHBondContact O-N 3.38Å; C210-T214 WeakPolarHBondContact O-CB 3.47Å; C210-T214 PolarHBondContact O-N 3.31Å; C210-T214 PolarHBondContact O-OG1 2.98Å; C210-F285 HydrophobicContact CB-CE2 3.85Å
211Y88.1Confident85.4Confident36 Ų3641.7 Ų41.714%0.14122%0.217CC..Hα-helixtrans-60.9-48.3175.5171.7-103.4000111.5L150 R151 I154 V207 E208 T214 A215 F230L150-Y211 HydrophobicContact CD2-CD2 4.42Å; L150-Y211 HydrophobicContact CD2-CE2 3.81Å; L150-Y211 HydrophobicContact CG-CE2 4.1Å; R151-Y211 HydrophobicContact CB-CE1 3.8Å; R151-Y211 HydrophobicContact CG-CE1 3.95Å; I154-Y211 HydrophobicContact CD1-CD1 3.87Å; I154-Y211 HydrophobicContact CD1-CD2 3.6Å; I154-Y211 HydrophobicContact CD1-CE1 4.43Å; I154-Y211 HydrophobicContact CD1-CE2 4.21Å; I154-Y211 HydrophobicContact CD1-CG 3.42Å; I154-Y211 VanDerWaalsContact CD1-CG 3.42Å; V207-Y211 VanDerWaalsContact O-CB 3.24Å; V207-Y211 WeakPolarHBondContact O-CB 3.31Å; V207-Y211 PolarHBondContact O-N 2.97Å; E208-Y211 PolarHBondContact O-N 3.41Å; Y211-T214 PolarHBondContact O-N 3.05Å; Y211-A215 WeakPolarHBondContact O-CB 3.37Å; Y211-A215 PolarHBondContact O-N 3.12Å; Y211-F230 HydrophobicContact CD2-CZ 4.47Å
212L85.8Confident84.3Confident50 Ų5043 Ų4326%0.26223%0.225SC..Hα-helixtrans-63.4-45-180-176.262.7000111.7E208 G209 T214 A215 I216 I289 L319E208-L212 WeakPolarHBondContact O-CB 3.39Å; E208-L212 PolarHBondContact O-N 3.34Å; G209-L212 PolarHBondContact O-N 3.45Å; L212-T214 PolarHBondContact O-N 3.39Å; L212-A215 PolarHBondContact O-N 2.96Å; L212-I216 HydrophobicContact CD1-CD1 3.91Å; L212-I216 HydrophobicContact CD1-CG1 4.42Å; L212-I216 HydrophobicContact CG-CD1 3.98Å; L212-I216 WeakPolarHBondContact O-CG1 3.31Å; L212-I216 PolarHBondContact O-N 2.96Å; L212-I216 VanDerWaalsContact O-N 3.09Å; L212-I289 HydrophobicContact CB-CD1 4.27Å; L212-I289 HydrophobicContact CD2-CD1 3.99Å; L212-I289 HydrophobicContact CG-CD1 3.99Å; L212-L319 HydrophobicContact CD2-CD2 3.85Å
213H86Confident83.2Confident36 Ų3649.9 Ų49.917%0.16726%0.262CS..Hα-helixtrans-58.4-49.3175.8178.7-95000111.2G209 A215 I216 V217 F285 I289G209-H213 WeakPolarHBondContact O-CB 3.42Å; G209-H213 PolarHBondContact O-N 2.92Å; H213-A215 PolarHBondContact O-N 3.47Å; H213-I216 PolarHBondContact O-N 3.43Å; H213-V217 WeakPolarHBondContact O-CB 3.14Å; H213-V217 WeakPolarHBondContact O-CG2 3.43Å; H213-V217 PolarHBondContact O-N 3.49Å; H213-F285 HydrophobicContact CB-CB 4.31Å; H213-F285 HydrophobicContact CB-CD1 4.33Å; H213-F285 HydrophobicContact CB-CG 4.23Å; H213-F285 AromaticContact CG-CD1 3.96Å; H213-I289 HydrophobicContact CB-CD1 4.05Å; H213-I289 HydrophobicContact CB-CG1 4.24Å
214T87.2Confident82Confident33 Ų3357.6 Ų57.620%0.20230%0.296CS..Hα-helixtrans-63.8-41.3-179.7-54.90000111.9C210 Y211 L212 I216 V217 M218 L225C210-T214 WeakPolarHBondContact O-CB 3.47Å; C210-T214 PolarHBondContact O-N 3.31Å; C210-T214 PolarHBondContact O-OG1 2.98Å; Y211-T214 PolarHBondContact O-N 3.05Å; L212-T214 PolarHBondContact O-N 3.39Å; T214-I216 VanDerWaalsContact C-N 3.31Å; T214-I216 PolarHBondContact O-N 3.15Å; T214-V217 PolarHBondContact O-N 3.25Å; T214-M218 HydrophobicContact CG2-CB 4.33Å; T214-M218 WeakPolarHBondContact O-CA 3.45Å; T214-M218 WeakPolarHBondContact O-CB 3.42Å; T214-M218 PolarHBondContact O-N 3.41Å; T214-L225 HydrophobicContact CG2-CD1 3.9Å
215A85.8Confident81.1Confident27 Ų2760.5 Ų60.522%0.22331%0.311CS..Hα-helixtrans-64.5-34.4178.300000113Y211 L212 H213 T219 T222Y211-A215 WeakPolarHBondContact O-CB 3.37Å; Y211-A215 PolarHBondContact O-N 3.12Å; L212-A215 PolarHBondContact O-N 2.96Å; H213-A215 PolarHBondContact O-N 3.47Å; A215-T219 WeakPolarHBondContact O-CG2 3.39Å; A215-T222 HydrophobicContact CB-CG2 4.06Å
216I84.1Confident80.9Confident42 Ų4269.4 Ų69.422%0.21534%0.344CS..Hα-helixtrans-78.1-39.5179.3-69.5171.4000111.9L212 H213 T214 I289 I292L212-I216 HydrophobicContact CD1-CD1 3.91Å; L212-I216 HydrophobicContact CD1-CG1 4.42Å; L212-I216 HydrophobicContact CG-CD1 3.98Å; L212-I216 WeakPolarHBondContact O-CG1 3.31Å; L212-I216 PolarHBondContact O-N 2.96Å; L212-I216 VanDerWaalsContact O-N 3.09Å; H213-I216 PolarHBondContact O-N 3.43Å; T214-I216 VanDerWaalsContact C-N 3.31Å; T214-I216 PolarHBondContact O-N 3.15Å; I216-I289 HydrophobicContact CD1-CG1 4.28Å; I216-I289 HydrophobicContact CD1-CG2 3.77Å; I216-I292 HydrophobicContact CG2-CB 4.25Å; I216-I292 HydrophobicContact CG2-CD1 4.34Å; I216-I292 HydrophobicContact CG2-CG2 3.63Å
217V85.7Confident80.5Confident69 Ų6973.1 Ų73.142%0.41836%0.36SS..Hα-helixtrans-82.4-44.3-176.8176.90000111.7H213 T214 I292H213-V217 WeakPolarHBondContact O-CB 3.14Å; H213-V217 WeakPolarHBondContact O-CG2 3.43Å; H213-V217 PolarHBondContact O-N 3.49Å; T214-V217 PolarHBondContact O-N 3.25Å; V217-I292 HydrophobicContact CG2-CD1 3.63Å
218M79.3Confident80.3Confident104 Ų10482 Ų8251%0.51239%0.394SS..  trans-115.856.6-170.5-62.6-67.1-78.200111T214 Y220 S221T214-M218 HydrophobicContact CG2-CB 4.33Å; T214-M218 WeakPolarHBondContact O-CA 3.45Å; T214-M218 WeakPolarHBondContact O-CB 3.42Å; T214-M218 PolarHBondContact O-N 3.41Å; M218-Y220 PolarHBondContact O-N 3.05Å; M218-S221 PolarHBondContact O-N 3.01Å
219T73.1Confident80.4Confident101 Ų10185.2 Ų85.262%0.6241%0.414SS*.THydrogen-bonded Turntrans-53.3-22-173.550.70000115.1A215A215-T219 WeakPolarHBondContact O-CG2 3.39Å
220Y66.7Low80.5Confident212 Ų21285.6 Ų85.683%0.83141%0.414SS*.THydrogen-bonded Turntrans-97.5-12.7-179.8-162.9-100000114.2M218M218-Y220 PolarHBondContact O-N 3.05Å
221S69.3Low80.6Confident45 Ų4586.2 Ų86.232%0.31542%0.415SS..THydrogen-bonded Turntrans-103.6-4.5-172.9-166.30000114.3M218 D223 K224M218-S221 PolarHBondContact O-N 3.01Å; S221-D223 PolarHBondContact O-N 3.27Å; S221-K224 PolarHBondContact O-N 3.15Å
222T68.4Low80.8Confident28 Ų2890.5 Ų90.517%0.17244%0.435CS..G310 helixtrans-64.9-27.8-177.746.50000113.5A215 K224 L225A215-T222 HydrophobicContact CB-CG2 4.06Å; T222-K224 PolarHBondContact O-N 2.98Å; T222-L225 HydrophobicContact CG2-CD1 4.49Å; T222-L225 WeakPolarHBondContact O-CB 3.45Å; T222-L225 PolarHBondContact O-N 3.06Å
223D66.8Low81.1Confident150 Ų15090.1 Ų90.180%0.80243%0.432SS*.G310 helixtrans-71.9-20.9-178.7-63.5-25.5000112.8S221 L225S221-D223 PolarHBondContact O-N 3.27Å; D223-L225 VanDerWaalsContact C-N 3.34Å
224K68.8Low81.4Confident175 Ų17588.4 Ų88.476%0.76142%0.424SS*.G310 helixtrans-83-11.6175.4-62.7-172.6-179.7-179.20112.9S221 T222 R226S221-K224 PolarHBondContact O-N 3.15Å; T222-K224 PolarHBondContact O-N 2.98Å; K224-R226 PolarHBondContact O-N 2.92Å
225L74.4Confident81.7Confident61 Ų6189.7 Ų89.732%0.31943%0.425SS..SBendtrans-77.4116.5-176.8-62.5173.6000110.6T214 T222 D223 K227 F230T214-L225 HydrophobicContact CG2-CD1 3.9Å; T222-L225 HydrophobicContact CG2-CD1 4.49Å; T222-L225 WeakPolarHBondContact O-CB 3.45Å; T222-L225 PolarHBondContact O-N 3.06Å; D223-L225 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 2.67Å; L225-F230 HydrophobicContact CB-CE2 4.05Å; L225-F230 HydrophobicContact CD1-CE2 4.32Å; L225-F230 HydrophobicContact CD1-CZ 4.1Å
226R82.4Confident82Confident198 Ų19891.1 Ų91.175%0.74743%0.433SS*.  trans-72118.2178.5-66.8-179.4-179.3-177.10.4110K224 W228 V229K224-R226 PolarHBondContact O-N 2.92Å; R226-W228 PolarHBondContact O-N 2.91Å; R226-V229 HydrophobicContact CB-CG2 4.15Å; R226-V229 WeakPolarHBondContact O-CB 3.21Å; R226-V229 PolarHBondContact O-N 3.46Å
227K83.1Confident82.5Confident116 Ų11692 Ų9250%0.50444%0.438SS..Hα-helixtrans-47.5-35.1175.665.5-175.7178-179.30114.3L150 L225 V229 F230 L231L150-K227 HydrophobicContact CD1-CB 3.67Å; L225-K227 PolarHBondContact O-N 2.67Å; K227-V229 VanDerWaalsContact C-N 3.26Å; K227-V229 PolarHBondContact O-N 2.86Å; K227-F230 PolarHBondContact O-N 2.9Å; K227-L231 VanDerWaalsContact O-CD1 3.27Å; K227-L231 WeakPolarHBondContact O-CD1 3.21Å; K227-L231 PolarHBondContact O-N 3.2Å
228W86.6Confident82.9Confident187 Ų18788.7 Ų88.771%0.70842%0.418SS*.Hα-helixtrans-60.8-31.5179.3-79.7113.1000113.8R226 L231 F232R226-W228 PolarHBondContact O-N 2.91Å; W228-L231 PolarHBondContact O-N 3.36Å; W228-F232 WeakPolarHBondContact O-CB 3.33Å; W228-F232 PolarHBondContact O-N 3.46Å
229V90.1Very high83.6Confident81 Ų8186.5 Ų86.549%0.49141%0.412SS..Hα-helixtrans-64.8-44.9178.9176.70000110.5R226 K227 L231 F232 I233R226-V229 HydrophobicContact CB-CG2 4.15Å; R226-V229 WeakPolarHBondContact O-CB 3.21Å; R226-V229 PolarHBondContact O-N 3.46Å; K227-V229 VanDerWaalsContact C-N 3.26Å; K227-V229 PolarHBondContact O-N 2.86Å; V229-L231 PolarHBondContact O-N 2.97Å; V229-F232 PolarHBondContact O-N 3.18Å; V229-I233 HydrophobicContact CG1-CD1 3.91Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.38Å; V229-I233 PolarHBondContact O-N 3.33Å
230F89.9Confident84.5Confident14 Ų1485.3 Ų85.36%0.06141%0.406CS..Hα-helixtrans-65.6-38.7177.7-66-64.1000112.7V207 Y211 L225 K227 F232 I233 G234V207-F230 HydrophobicContact CG1-CB 3.87Å; V207-F230 HydrophobicContact CG1-CD1 3.84Å; V207-F230 HydrophobicContact CG1-CG 4.2Å; Y211-F230 HydrophobicContact CD2-CZ 4.47Å; L225-F230 HydrophobicContact CB-CE2 4.05Å; L225-F230 HydrophobicContact CD1-CE2 4.32Å; L225-F230 HydrophobicContact CD1-CZ 4.1Å; K227-F230 PolarHBondContact O-N 2.9Å; F230-F232 VanDerWaalsContact C-N 3.34Å; F230-I233 PolarHBondContact O-N 3.24Å; F230-G234 PolarHBondContact O-N 2.89Å
231L90.2Very high85.8Confident46 Ų4676.6 Ų76.624%0.24137%0.374CS..Hα-helixtrans-63.9-40.8175.1-90.174.3000111.6I153 W204 K227 W228 V229 G234 W235I153-L231 HydrophobicContact CG2-CD1 4.22Å; W204-L231 HydrophobicContact CH2-CD1 4.37Å; W204-L231 HydrophobicContact CH2-CG 4.37Å; K227-L231 VanDerWaalsContact O-CD1 3.27Å; K227-L231 WeakPolarHBondContact O-CD1 3.21Å; K227-L231 PolarHBondContact O-N 3.2Å; W228-L231 PolarHBondContact O-N 3.36Å; V229-L231 PolarHBondContact O-N 2.97Å; L231-G234 PolarHBondContact O-N 3.46Å; L231-W235 PolarHBondContact O-N 3.43Å
232F92.4Very high86.9Confident126 Ų12674.7 Ų74.755%0.55336%0.36SS*.Iπ-helixtrans-64.2-45.2176.7-176.8-95.1000111.6W228 V229 F230 G234 C236 I237W228-F232 WeakPolarHBondContact O-CB 3.33Å; W228-F232 PolarHBondContact O-N 3.46Å; V229-F232 PolarHBondContact O-N 3.18Å; F230-F232 VanDerWaalsContact C-N 3.34Å; F232-G234 VanDerWaalsContact C-N 3.34Å; F232-G234 PolarHBondContact O-N 2.96Å; F232-C236 HydrophobicContact CD2-CB 3.53Å; F232-C236 VanDerWaalsContact CD2-SG 3.52Å; F232-C236 HydrophobicContact CE2-CB 3.54Å; F232-C236 HydrophobicContact CG-CB 4.04Å; F232-C236 HydrophobicContact CZ-CB 4.06Å; F232-C236 WeakPolarHBondContact O-CA 3.41Å; F232-C236 WeakPolarHBondContact O-CB 3.3Å; F232-C236 PolarHBondContact O-N 3.29Å; F232-I237 HydrophobicContact CE1-CG1 4.45Å; F232-I237 PolarHBondContact O-N 2.96Å
233I92.7Very high88Confident41 Ų4176.8 Ų76.821%0.2137%0.373CS..Iπ-helixtrans-60.8-45.1177.3-67.2166000111F206 V207 V229 F230 I237F206-I233 HydrophobicContact CD1-CG2 4.33Å; F206-I233 HydrophobicContact CE1-CG2 4.21Å; V207-I233 HydrophobicContact CG2-CB 4.02Å; V207-I233 HydrophobicContact CG2-CG2 3.57Å; V229-I233 HydrophobicContact CG1-CD1 3.91Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.38Å; V229-I233 PolarHBondContact O-N 3.33Å; F230-I233 PolarHBondContact O-N 3.24Å; I233-I237 HydrophobicContact CB-CD1 4.13Å; I233-I237 HydrophobicContact CG1-CD1 4.05Å; I233-I237 HydrophobicContact CG2-CD1 4.07Å
234G92Very high89.1Confident0 Ų072.1 Ų72.10%035%0.354CS..Iπ-helixtrans-70.8-41-17600000114.3F230 L231 F232 P238F230-G234 PolarHBondContact O-N 2.89Å; L231-G234 PolarHBondContact O-N 3.46Å; F232-G234 VanDerWaalsContact C-N 3.34Å; F232-G234 PolarHBondContact O-N 2.96Å; G234-P238 WeakPolarHBondContact O-CG 3.39Å
235W94Very high90.1Very high60 Ų6064 Ų6423%0.22732%0.319CS..Iπ-helixtrans-104.1-37.4-173.6-68.7111.4000114.3N157 T161 L164 Y196 T200 W204 L231N157-W235 PolarHBondContact OD1-NE1 3.45Å; T161-W235 HydrophobicContact CG2-CH2 3.87Å; T161-W235 HydrophobicContact CG2-CZ2 4.14Å; T161-W235 HydrophobicContact CG2-CZ3 4.42Å; L164-W235 HydrophobicContact CD1-CH2 3.97Å; L164-W235 HydrophobicContact CD1-CZ3 4.46Å; Y196-W235 PolarHBondContact OH-O 2.96Å; T200-W235 HydrophobicContact CG2-CD2 4.32Å; T200-W235 HydrophobicContact CG2-CE3 3.61Å; T200-W235 HydrophobicContact CG2-CH2 4.41Å; T200-W235 HydrophobicContact CG2-CZ3 3.68Å; W204-W235 AromaticContact CE2-CD1 3.91Å; W204-W235 AromaticContact CE2-NE1 3.61Å; W204-W235 AromaticContact CZ2-CD1 3.45Å; W204-W235 VanDerWaalsContact CZ2-CD1 3.45Å; W204-W235 HydrophobicContact CZ2-CG 4.35Å; W204-W235 AromaticContact CZ2-NE1 3.26Å; W204-W235 VanDerWaalsContact CZ2-NE1 3.26Å; W204-W235 AromaticContact NE1-CD1 3.75Å; W204-W235 AromaticContact NE1-CD2 3.71Å; W204-W235 AromaticContact NE1-CE2 3.47Å; W204-W235 AromaticContact NE1-CG 3.88Å; W204-W235 AromaticContact NE1-CZ2 3.98Å; W204-W235 AromaticContact NE1-NE1 3.49Å; L231-W235 PolarHBondContact O-N 3.43Å
236C92.9Very high90.6Very high58 Ų5861.7 Ų61.739%0.39231%0.309SS..Iπ-helixtrans-86.9-34.2-170.5-57.90000112.9F232 C239 P240F232-C236 HydrophobicContact CD2-CB 3.53Å; F232-C236 VanDerWaalsContact CD2-SG 3.52Å; F232-C236 HydrophobicContact CE2-CB 3.54Å; F232-C236 HydrophobicContact CG-CB 4.04Å; F232-C236 HydrophobicContact CZ-CB 4.06Å; F232-C236 WeakPolarHBondContact O-CA 3.41Å; F232-C236 WeakPolarHBondContact O-CB 3.3Å; F232-C236 PolarHBondContact O-N 3.29Å; C236-C239 PolarHBondContact O-N 2.78Å; C236-P240 WeakPolarHBondContact O-CD 3.46Å
237I93.2Very high90.9Very high59 Ų5957.3 Ų57.330%0.30330%0.299SS..THydrogen-bonded Turntrans-68.3-39-179.9-59.3-179.6000113.5F203 F232 I233 C239 P240 I241F203-I237 HydrophobicContact CD1-CB 4.3Å; F203-I237 HydrophobicContact CD1-CG2 4.21Å; F203-I237 HydrophobicContact CE1-CB 3.99Å; F203-I237 HydrophobicContact CE1-CG2 3.41Å; F203-I237 VanDerWaalsContact CE1-CG2 3.41Å; F203-I237 HydrophobicContact CZ-CG2 3.77Å; F232-I237 HydrophobicContact CE1-CG1 4.45Å; F232-I237 PolarHBondContact O-N 2.96Å; I233-I237 HydrophobicContact CB-CD1 4.13Å; I233-I237 HydrophobicContact CG1-CD1 4.05Å; I233-I237 HydrophobicContact CG2-CD1 4.07Å; I237-C239 VanDerWaalsContact C-N 3.26Å; I237-C239 PolarHBondContact O-N 3.32Å; I237-P240 WeakPolarHBondContact O-CD 3.14Å; I237-P240 VanDerWaalsContact O-CG 3.32Å; I237-P240 WeakPolarHBondContact O-CG 3.34Å; I237-I241 HydrophobicContact CG2-CD1 4.16Å
238P94.3Very high90.9Very high0 Ų052.3 Ų52.30%028%0.28CS..Hα-helixtrans-61-31.1175.4-2937.3000114.8Y196 V199 T200 F203 G234 I241 I242Y196-P238 HydrophobicContact CD2-CB 4.25Å; Y196-P238 HydrophobicContact CE2-CB 3.99Å; V199-P238 HydrophobicContact CB-CB 4.34Å; V199-P238 HydrophobicContact CG1-CB 3.78Å; V199-P238 HydrophobicContact CG1-CG 4.3Å; T200-P238 WeakPolarHBondContact OG1-CB 3.37Å; F203-P238 HydrophobicContact CB-CG 3.94Å; F203-P238 HydrophobicContact CD1-CG 4.45Å; F203-P238 HydrophobicContact CD2-CG 3.86Å; F203-P238 HydrophobicContact CE2-CG 4.49Å; F203-P238 HydrophobicContact CG-CG 3.82Å; G234-P238 WeakPolarHBondContact O-CG 3.39Å; P238-I241 PolarHBondContact O-N 3.13Å; P238-I242 PolarHBondContact O-N 2.91Å; P238-I242 VanDerWaalsContact O-N 3.14Å
239C93.4Very high90.5Very high58 Ų5844.4 Ų44.439%0.39225%0.251SS..Hα-helixtrans-59.7-57.4-175.3-173.70000113.2Y196 C236 I237 I241 I242 V243Y196-C239 HydrophobicContact CE2-CB 4.02Å; C236-C239 PolarHBondContact O-N 2.78Å; I237-C239 VanDerWaalsContact C-N 3.26Å; I237-C239 PolarHBondContact O-N 3.32Å; C239-I241 VanDerWaalsContact C-N 3.27Å; C239-I241 PolarHBondContact O-N 2.98Å; C239-I242 PolarHBondContact O-N 2.97Å; C239-V243 VanDerWaalsContact O-CG2 3.29Å; C239-V243 WeakPolarHBondContact O-CG2 3.49Å; C239-V243 PolarHBondContact O-N 2.93Å
240P93.7Very high90.1Very high77 Ų7744.5 Ų44.550%0.525%0.248SC..Hα-helixtrans-62.2-32.2179.325.1-35.4000113C236 I237 A244C236-P240 WeakPolarHBondContact O-CD 3.46Å; I237-P240 WeakPolarHBondContact O-CD 3.14Å; I237-P240 VanDerWaalsContact O-CG 3.32Å; I237-P240 WeakPolarHBondContact O-CG 3.34Å; P240-A244 VanDerWaalsContact O-CB 3.3Å; P240-A244 WeakPolarHBondContact O-CB 3.31Å; P240-A244 PolarHBondContact O-N 2.93Å
241I92.8Very high89.5Confident29 Ų2952.9 Ų52.915%0.14928%0.281CS..Hα-helixtrans-62.4-47.9177.6-61.9169.5000110.3F203 I237 P238 C239 W245 P274F203-I241 HydrophobicContact CE2-CD1 3.94Å; F203-I241 HydrophobicContact CZ-CD1 3.7Å; I237-I241 HydrophobicContact CG2-CD1 4.16Å; P238-I241 PolarHBondContact O-N 3.13Å; C239-I241 VanDerWaalsContact C-N 3.27Å; C239-I241 PolarHBondContact O-N 2.98Å; I241-W245 PolarHBondContact O-N 3.3Å; I241-W245 VanDerWaalsContact O-N 3.08Å; I241-P274 HydrophobicContact CD1-CB 3.92Å; I241-P274 HydrophobicContact CD1-CG 4.2Å; I241-P274 HydrophobicContact CG2-CG 4.13Å
242I92.3Very high88.6Confident4 Ų457.9 Ų57.92%0.02130%0.298CS..Hα-helixtrans-74-35.7-179.7-69.6-61.8000112.3T192 N195 V199 P238 C239 A244 W245 A246 Y271T192-I242 HydrophobicContact CG2-CG2 3.68Å; N195-I242 HydrophobicContact CB-CD1 3.96Å; V199-I242 HydrophobicContact CB-CG1 4.42Å; V199-I242 HydrophobicContact CG2-CD1 3.66Å; V199-I242 HydrophobicContact CG2-CG1 4.06Å; P238-I242 PolarHBondContact O-N 2.91Å; P238-I242 VanDerWaalsContact O-N 3.14Å; C239-I242 PolarHBondContact O-N 2.97Å; I242-A244 VanDerWaalsContact C-N 3.34Å; I242-W245 PolarHBondContact O-N 3.31Å; I242-A246 VanDerWaalsContact O-CB 3.3Å; I242-A246 WeakPolarHBondContact O-CB 3.35Å; I242-A246 PolarHBondContact O-N 3.49Å; I242-Y271 HydrophobicContact CD1-CG 4.24Å
243V91.1Very high87.2Confident73 Ų7354.2 Ų54.244%0.44228%0.282SS..Hα-helixtrans-61.8-44.6174.1171.10000110.4C239 W245 A246 I247C239-V243 VanDerWaalsContact O-CG2 3.29Å; C239-V243 WeakPolarHBondContact O-CG2 3.49Å; C239-V243 PolarHBondContact O-N 2.93Å; V243-W245 PolarHBondContact O-N 3.29Å; V243-A246 PolarHBondContact O-N 3.48Å; V243-I247 HydrophobicContact CG1-CD1 3.76Å; V243-I247 HydrophobicContact CG1-CG1 4.43Å; V243-I247 VanDerWaalsContact O-CG1 3.24Å; V243-I247 WeakPolarHBondContact O-CG1 3.3Å; V243-I247 PolarHBondContact O-N 2.93Å
244A90.8Very high85.9Confident51 Ų5156.9 Ų56.942%0.42130%0.297SS..Hα-helixtrans-60.8-44175.400000112P240 I242 I247 G248P240-A244 VanDerWaalsContact O-CB 3.3Å; P240-A244 WeakPolarHBondContact O-CB 3.31Å; P240-A244 PolarHBondContact O-N 2.93Å; I242-A244 VanDerWaalsContact C-N 3.34Å; A244-I247 PolarHBondContact O-N 3.24Å; A244-G248 PolarHBondContact O-N 2.83Å
245W88.8Confident84.2Confident5 Ų565.3 Ų65.32%0.01934%0.336CS..Hα-helixtrans-62.1-44.8174.517179.2000112.5N195 I241 I242 V243 I247 G248 K249 W258 D268 I270 Y271N195-W245 WeakPolarHBondContact ND2-CH2 3.39Å; N195-W245 WeakPolarHBondContact ND2-CZ3 3.14Å; I241-W245 PolarHBondContact O-N 3.3Å; I241-W245 VanDerWaalsContact O-N 3.08Å; I242-W245 PolarHBondContact O-N 3.31Å; V243-W245 PolarHBondContact O-N 3.29Å; W245-I247 PolarHBondContact O-N 3.08Å; W245-G248 PolarHBondContact O-N 3.04Å; W245-K249 HydrophobicContact CZ2-CG 3.9Å; W245-K249 PolarHBondContact O-N 3.46Å; W245-W258 AromaticContact CH2-CE3 3.93Å; W245-W258 HydrophobicContact CH2-CE3 3.93Å; W245-W258 HydrophobicContact CH2-CZ3 4.5Å; W245-W258 HydrophobicContact CZ3-CE3 4.09Å; W245-W258 HydrophobicContact CZ3-CZ3 4.23Å; W245-D268 PolarHBondContact NE1-OD1 3.15Å; W245-D268 VanDerWaalsContact NE1-OD1 3.15Å; W245-I270 HydrophobicContact CB-CB 4.41Å; W245-I270 HydrophobicContact CB-CG2 4.06Å; W245-Y271 HydrophobicContact CB-CD1 4.5Å; W245-Y271 AromaticContact CD1-CD1 3.46Å; W245-Y271 VanDerWaalsContact CD1-CD1 3.46Å; W245-Y271 AromaticContact CD1-CE1 3.98Å; W245-Y271 HydrophobicContact CD2-CD1 4.1Å; W245-Y271 HydrophobicContact CD2-CE1 4.49Å; W245-Y271 AromaticContact CE2-CD1 3.99Å; W245-Y271 AromaticContact CE2-CE1 3.94Å; W245-Y271 AromaticContact CG-CD1 3.77Å; W245-Y271 HydrophobicContact CG-CD1 3.77Å; W245-Y271 HydrophobicContact CG-CE1 4.49Å; W245-Y271 HydrophobicContact CZ2-CE1 4.48Å; W245-Y271 AromaticContact NE1-CD1 3.55Å; W245-Y271 AromaticContact NE1-CE1 3.56Å
246A87Confident82.9Confident12 Ų1269.5 Ų69.510%0.09936%0.356CS..Hα-helixtrans-64.4-40.1-179.800000111.8T192 I242 V243 K249 L250 W258T192-A246 HydrophobicContact CG2-CB 4.07Å; I242-A246 VanDerWaalsContact O-CB 3.3Å; I242-A246 WeakPolarHBondContact O-CB 3.35Å; I242-A246 PolarHBondContact O-N 3.49Å; V243-A246 PolarHBondContact O-N 3.48Å; A246-K249 PolarHBondContact O-N 3.3Å; A246-L250 WeakPolarHBondContact O-CG 3.48Å; A246-L250 PolarHBondContact O-N 2.9Å; A246-W258 HydrophobicContact CB-CH2 4.32Å; A246-W258 HydrophobicContact CB-CZ3 4.18Å
247I86.9Confident81.8Confident106 Ų10667.3 Ų67.354%0.54434%0.342SS..Hα-helixtrans-63.4-45173.4-67.2166000110.3V243 A244 W245 K249 L250 Y251V243-I247 HydrophobicContact CG1-CD1 3.76Å; V243-I247 HydrophobicContact CG1-CG1 4.43Å; V243-I247 VanDerWaalsContact O-CG1 3.24Å; V243-I247 WeakPolarHBondContact O-CG1 3.3Å; V243-I247 PolarHBondContact O-N 2.93Å; A244-I247 PolarHBondContact O-N 3.24Å; W245-I247 PolarHBondContact O-N 3.08Å; I247-K249 PolarHBondContact O-N 2.8Å; I247-L250 PolarHBondContact O-N 3.34Å; I247-Y251 PolarHBondContact O-N 3.15Å; I247-Y251 VanDerWaalsContact O-N 3.13Å
248G83.2Confident80.7Confident11 Ų1166.2 Ų66.211%0.11333%0.334CS..Hα-helixtrans-57.9-46.917500000112.2A244 W245 L250 Y251 Y252A244-G248 PolarHBondContact O-N 2.83Å; W245-G248 PolarHBondContact O-N 3.04Å; G248-L250 PolarHBondContact O-N 3.13Å; G248-Y251 PolarHBondContact O-N 3.36Å; G248-Y252 VanDerWaalsContact O-CD2 3.31Å; G248-Y252 WeakPolarHBondContact O-CD2 3.26Å; G248-Y252 PolarHBondContact O-N 3.33Å; G248-Y252 VanDerWaalsContact O-N 3.13Å
249K79.4Confident79Confident21 Ų2170.6 Ų70.69%0.09135%0.353CS..Hα-helixtrans-62.8-40.2176.8-93-64.6-166.6-1690112.9W245 A246 I247 Y251 E253 W258W245-K249 HydrophobicContact CZ2-CG 3.9Å; W245-K249 PolarHBondContact O-N 3.46Å; A246-K249 PolarHBondContact O-N 3.3Å; I247-K249 PolarHBondContact O-N 2.8Å; K249-Y251 VanDerWaalsContact C-N 3.3Å; K249-Y251 PolarHBondContact O-N 3.3Å; K249-E253 HydrophobicContact CD-CB 4.25Å; K249-E253 IonicContact NZ-OE1 3.63Å; K249-E253 PolarHBondContact NZ-OE1 3.1Å; K249-E253 IonicContact NZ-OE2 3.27Å; K249-E253 PolarHBondContact NZ-OE2 2.95Å; K249-E253 CarbonylContact O-C 3.4Å; K249-E253 PolarHBondContact O-N 2.94Å; K249-E253 VanDerWaalsContact O-N 3.1Å; K249-W258 HydrophobicContact CB-CD2 4.25Å; K249-W258 HydrophobicContact CB-CH2 4.2Å; K249-W258 HydrophobicContact CB-CZ2 3.84Å
250L80Confident77Confident83 Ų8370.5 Ų70.544%0.43536%0.362SS..Hα-helixtrans-61.5-36.9176.2-76.2167.4000112.9A246 I247 G248 W258A246-L250 WeakPolarHBondContact O-CG 3.48Å; A246-L250 PolarHBondContact O-N 2.9Å; I247-L250 PolarHBondContact O-N 3.34Å; G248-L250 PolarHBondContact O-N 3.13Å; L250-W258 HydrophobicContact CB-CZ2 4.47Å; L250-W258 HydrophobicContact CD1-CH2 4.41Å; L250-W258 HydrophobicContact CD2-CH2 3.93Å; L250-W258 HydrophobicContact CD2-CZ2 3.56Å; L250-W258 HydrophobicContact CG-CH2 3.7Å; L250-W258 HydrophobicContact CG-CZ2 3.62Å
251Y79.2Confident74.7Confident191 Ų19176 Ų7675%0.74938%0.378SS*.Hα-helixtrans-81.7-38.7-174.1-161.5-96.2000113.2I247 G248 K249I247-Y251 PolarHBondContact O-N 3.15Å; I247-Y251 VanDerWaalsContact O-N 3.13Å; G248-Y251 PolarHBondContact O-N 3.36Å; K249-Y251 VanDerWaalsContact C-N 3.3Å; K249-Y251 PolarHBondContact O-N 3.3Å
252Y69.9Low72.5Confident151 Ų15181.3 Ų81.359%0.59240%0.402SS*.Hα-helixtrans-99.4-21.4-171.9-69.9-80.8000114.6G248 M267G248-Y252 VanDerWaalsContact O-CD2 3.31Å; G248-Y252 WeakPolarHBondContact O-CD2 3.26Å; G248-Y252 PolarHBondContact O-N 3.33Å; G248-Y252 VanDerWaalsContact O-N 3.13Å; Y252-M267 HydrophobicContact CD1-CE 3.93Å; Y252-M267 HydrophobicContact CD2-CE 3.33Å; Y252-M267 HydrophobicContact CD2-SD 4Å; Y252-M267 HydrophobicContact CE1-CE 4.14Å; Y252-M267 HydrophobicContact CE2-CE 3.59Å; Y252-M267 HydrophobicContact CE2-SD 4.4Å; Y252-M267 HydrophobicContact CG-CE 3.53Å
253E63.7Low70Confident49 Ų4986.4 Ų86.423%0.22944%0.436CS..  trans-14573.8-174.7-68.7177.8-125.900111K249 E255 K265K249-E253 HydrophobicContact CD-CB 4.25Å; K249-E253 IonicContact NZ-OE1 3.63Å; K249-E253 PolarHBondContact NZ-OE1 3.1Å; K249-E253 IonicContact NZ-OE2 3.27Å; K249-E253 PolarHBondContact NZ-OE2 2.95Å; K249-E253 CarbonylContact O-C 3.4Å; K249-E253 PolarHBondContact O-N 2.94Å; K249-E253 VanDerWaalsContact O-N 3.1Å; E253-E255 VanDerWaalsContact C-N 3.27Å; E253-E255 PolarHBondContact O-N 3.36Å; E253-K265 HydrophobicContact CG-CD 4.25Å; E253-K265 WeakPolarHBondContact OE1-CD 3.4Å
254N65.6Low67.7Low97 Ų9786.2 Ų86.252%0.51945%0.448SS..  trans-86.618.6-176.7-163.527.9000114.2R188R188-N254 VanDerWaalsContact CZ-OD1 3.31Å; R188-N254 PolarHBondContact NH1-OD1 2.94Å; R188-N254 PolarHBondContact NH2-O 3.44Å; R188-N254 VanDerWaalsContact NH2-O 3.11Å; R188-N254 PolarHBondContact NH2-OD1 3.44Å
255E56.6Low65.8Low177 Ų17790 Ų9083%0.82746%0.455SS*.SBendtrans-109.8121.9-178-64.2-161.8-178.500112.6E253E253-E255 VanDerWaalsContact C-N 3.27Å; E253-E255 PolarHBondContact O-N 3.36Å
256K65.6Low64.4Low147 Ų147100.3 Ų100.364%0.63950%0.496SS*.SBendtrans61.9173.1178.6-57.4-177.7-176.4178.30113.7E184E184-K256 WeakPolarHBondContact OE1-CA 3.21Å; E184-K256 PolarHBondContact OE1-N 3.48Å
257C70.8Confident63.3Low13 Ų13101.7 Ų101.79%0.08850%0.5CS..  trans-67.1143.6179.6170.50000111.8H180 C187 F259H180-C257 PolarHBondContact CE1-SG 3.42Å; H180-C257 VanDerWaalsContact NE2-CB 3.27Å; H180-C257 WeakPolarHBondContact NE2-CB 3.45Å; C187-C257 HydrophobicContact CB-CB 3.46Å; C187-C257 VanDerWaalsContact CB-CB 3.46Å; C187-C257 WeakPolarHBondContact CB-SG 3.3Å; C187-C257 WeakPolarHBondContact SG-CB 3.24Å; C187-C257 CovalentContact SG-SG 2Å; C187-C257 PolarHBondContact SG-SG 3.04Å; C257-F259 PolarHBondContact O-N 2.85Å
258W69.3Low62.5Low36 Ų3698.7 Ų98.714%0.13649%0.486CS..SBendtrans-6916.6-178.1-55.2-24.7000114.9R188 T191 T192 W245 A246 K249 L250R188-W258 HydrophobicContact CB-CD2 4.29Å; R188-W258 HydrophobicContact CB-CE3 4.22Å; R188-W258 HydrophobicContact CB-CH2 4.48Å; R188-W258 HydrophobicContact CB-CZ3 4.33Å; R188-W258 HydrophobicContact CG-CD2 4.11Å; R188-W258 HydrophobicContact CG-CG 4.45Å; R188-W258 HydrophobicContact CG-CZ2 4.35Å; T191-W258 HydrophobicContact CG2-CB 4.07Å; T192-W258 VanDerWaalsContact OG1-CZ3 3.23Å; T192-W258 WeakPolarHBondContact OG1-CZ3 3.49Å; W245-W258 AromaticContact CH2-CE3 3.93Å; W245-W258 HydrophobicContact CH2-CE3 3.93Å; W245-W258 HydrophobicContact CH2-CZ3 4.5Å; W245-W258 HydrophobicContact CZ3-CE3 4.09Å; W245-W258 HydrophobicContact CZ3-CZ3 4.23Å; A246-W258 HydrophobicContact CB-CH2 4.32Å; A246-W258 HydrophobicContact CB-CZ3 4.18Å; K249-W258 HydrophobicContact CB-CD2 4.25Å; K249-W258 HydrophobicContact CB-CH2 4.2Å; K249-W258 HydrophobicContact CB-CZ2 3.84Å; L250-W258 HydrophobicContact CB-CZ2 4.47Å; L250-W258 HydrophobicContact CD1-CH2 4.41Å; L250-W258 HydrophobicContact CD2-CH2 3.93Å; L250-W258 HydrophobicContact CD2-CZ2 3.56Å; L250-W258 HydrophobicContact CG-CH2 3.7Å; L250-W258 HydrophobicContact CG-CZ2 3.62Å
259F58.1Low62.3Low91 Ų91105.4 Ų105.440%0.39951%0.509SS..  trans-102.290.4-178.3-168.1-106.7000110.8L172 C257L172-F259 HydrophobicContact CD1-CD2 3.72Å; L172-F259 HydrophobicContact CD1-CE2 4.01Å; L172-F259 HydrophobicContact CD1-CG 4.14Å; L172-F259 HydrophobicContact CD2-CD2 3.53Å; L172-F259 HydrophobicContact CD2-CE2 3.18Å; L172-F259 HydrophobicContact CD2-CZ 4.07Å; L172-F259 HydrophobicContact CG-CD2 3.68Å; L172-F259 HydrophobicContact CG-CE2 3.42Å; L172-F259 VanDerWaalsContact CG-CE2 3.42Å; L172-F259 HydrophobicContact CG-CG 4.4Å; L172-F259 HydrophobicContact CG-CZ 3.9Å; C257-F259 PolarHBondContact O-N 2.85Å
260G51.2Low62.4Low57 Ų57107.5 Ų107.559%0.58852%0.52SS*.  trans178.3107.5176.700000107.1E262G260-E262 PolarHBondContact O-N 2.78Å
261K45.9Very low62.5Low191 Ų191105.2 Ų105.283%0.8351%0.506SS*.  trans-70.378.8172.9-71.4-177.6178.2178.60108P263K261-P263 WeakPolarHBondContact O-CD 3.45Å
262E46.2Very low62.7Low141 Ų14197.3 Ų97.366%0.65948%0.476SS*.  trans-86.2100.5155.1-55.8-141.9127.700106.1K109 G260 G264K109-E262 VanDerWaalsContact NZ-CG 3.28Å; K109-E262 IonicContact NZ-OE1 2.7Å; K109-E262 PolarHBondContact NZ-OE1 3.31Å; G260-E262 PolarHBondContact O-N 2.78Å; E262-G264 PolarHBondContact O-N 3.04Å; E262-G264 VanDerWaalsContact O-N 3.1Å
263P40.1Very low63.5Low112 Ų11290.9 Ų90.973%0.72746%0.455SS*.  trans-65.3113.3175.927.7-31.9000107.2K261K261-P263 WeakPolarHBondContact O-CD 3.45Å
264G43.8Very low64.7Low69 Ų6990.2 Ų90.271%0.71146%0.455SS*.  trans154.932.5171.900000119.7E262E262-G264 PolarHBondContact O-N 3.04Å; E262-G264 VanDerWaalsContact O-N 3.1Å
265K51Low65.7Low130 Ų13085.6 Ų85.657%0.56543%0.431SS*.  trans-134141.1157.2-71.3-174.8-179.2174.60110.9E253 M267 D268E253-K265 HydrophobicContact CG-CD 4.25Å; E253-K265 WeakPolarHBondContact OE1-CD 3.4Å; K265-M267 PolarHBondContact O-N 3.27Å; K265-D268 PolarHBondContact O-N 3.44Å
266Y59.4Low67.1Low222 Ų22278.5 Ų78.587%0.87140%0.398SS*.G310 helixtrans-47.2-20.4-178.8-66.5-86.3000115D268 Y269Y266-D268 PolarHBondContact O-N 3.46Å; Y266-Y269 WeakPolarHBondContact O-CB 3.46Å; Y266-Y269 PolarHBondContact O-N 3Å
267M64.3Low68.2Low40 Ų4076.5 Ų76.520%0.19739%0.394CS..G310 helixtrans-67.3-32.2-175.1-61.2-59.8165.600114.2Y252 K265 Y269 I270Y252-M267 HydrophobicContact CD1-CE 3.93Å; Y252-M267 HydrophobicContact CD2-CE 3.33Å; Y252-M267 HydrophobicContact CD2-SD 4Å; Y252-M267 HydrophobicContact CE1-CE 4.14Å; Y252-M267 HydrophobicContact CE2-CE 3.59Å; Y252-M267 HydrophobicContact CE2-SD 4.4Å; Y252-M267 HydrophobicContact CG-CE 3.53Å; K265-M267 PolarHBondContact O-N 3.27Å; M267-Y269 PolarHBondContact O-N 2.95Å; M267-I270 WeakPolarHBondContact O-CB 3.21Å; M267-I270 VanDerWaalsContact O-CG1 3.3Å; M267-I270 WeakPolarHBondContact O-CG1 3.24Å; M267-I270 PolarHBondContact O-N 3.21Å; M267-I270 HydrophobicContact SD-CD1 4.18Å
268D69.3Low69.1Low43 Ų4376.4 Ų76.423%0.2339%0.393CS..G310 helixtrans-72-18.8-179.4-69.8-22.9000112.7W245 K265 Y266 I270 Y271 Q272W245-D268 PolarHBondContact NE1-OD1 3.15Å; W245-D268 VanDerWaalsContact NE1-OD1 3.15Å; K265-D268 PolarHBondContact O-N 3.44Å; Y266-D268 PolarHBondContact O-N 3.46Å; D268-I270 PolarHBondContact O-N 3.4Å; D268-Y271 HydrophobicContact CB-CE1 4.07Å; D268-Y271 VanDerWaalsContact O-CD1 3.31Å; D268-Y271 WeakPolarHBondContact O-CD1 3.43Å; D268-Y271 WeakPolarHBondContact O-CE1 3.23Å; D268-Q272 VanDerWaalsContact O-CB 3.31Å; D268-Q272 WeakPolarHBondContact O-CB 3.38Å; D268-Q272 PolarHBondContact O-N 3.07Å
269Y78.3Confident69.9Low152 Ų15275 Ų7560%0.59639%0.388SS*.Hα-helixtrans-64.6-22.3174.5-164.6-100.8000112.8Y266 M267 Y271 Q272 G273 I276Y266-Y269 WeakPolarHBondContact O-CB 3.46Å; Y266-Y269 PolarHBondContact O-N 3Å; M267-Y269 PolarHBondContact O-N 2.95Å; Y269-Y271 PolarHBondContact O-N 2.92Å; Y269-Q272 PolarHBondContact O-N 3.17Å; Y269-G273 PolarHBondContact O-N 3.22Å; Y269-I276 HydrophobicContact CE2-CD1 4.39Å
270I83Confident71.2Confident65 Ų6575 Ų7533%0.33339%0.391SS..Hα-helixtrans-57.9-45.6-178.6-65172.7000111.7W245 M267 D268 P274W245-I270 HydrophobicContact CB-CB 4.41Å; W245-I270 HydrophobicContact CB-CG2 4.06Å; M267-I270 WeakPolarHBondContact O-CB 3.21Å; M267-I270 VanDerWaalsContact O-CG1 3.3Å; M267-I270 WeakPolarHBondContact O-CG1 3.24Å; M267-I270 PolarHBondContact O-N 3.21Å; M267-I270 HydrophobicContact SD-CD1 4.18Å; D268-I270 PolarHBondContact O-N 3.4Å; I270-P274 WeakPolarHBondContact O-CD 3.23Å
271Y82.3Confident73Confident35 Ų3575 Ų7514%0.13738%0.377CS..Hα-helixtrans-93.9-26177.277.1-88.4000112.5V199 I242 W245 D268 Y269 P274 I275V199-Y271 HydrophobicContact CG2-CD2 4.1Å; I242-Y271 HydrophobicContact CD1-CG 4.24Å; W245-Y271 HydrophobicContact CB-CD1 4.5Å; W245-Y271 AromaticContact CD1-CD1 3.46Å; W245-Y271 VanDerWaalsContact CD1-CD1 3.46Å; W245-Y271 AromaticContact CD1-CE1 3.98Å; W245-Y271 HydrophobicContact CD2-CD1 4.1Å; W245-Y271 HydrophobicContact CD2-CE1 4.49Å; W245-Y271 AromaticContact CE2-CD1 3.99Å; W245-Y271 AromaticContact CE2-CE1 3.94Å; W245-Y271 AromaticContact CG-CD1 3.77Å; W245-Y271 HydrophobicContact CG-CD1 3.77Å; W245-Y271 HydrophobicContact CG-CE1 4.49Å; W245-Y271 HydrophobicContact CZ2-CE1 4.48Å; W245-Y271 AromaticContact NE1-CD1 3.55Å; W245-Y271 AromaticContact NE1-CE1 3.56Å; D268-Y271 HydrophobicContact CB-CE1 4.07Å; D268-Y271 VanDerWaalsContact O-CD1 3.31Å; D268-Y271 WeakPolarHBondContact O-CD1 3.43Å; D268-Y271 WeakPolarHBondContact O-CE1 3.23Å; Y269-Y271 PolarHBondContact O-N 2.92Å; Y271-P274 WeakPolarHBondContact O-CD 3.28Å; Y271-I275 HydrophobicContact CD2-CD1 3.84Å; Y271-I275 HydrophobicContact CE2-CD1 4.23Å; Y271-I275 WeakPolarHBondContact O-CG1 3.34Å; Y271-I275 PolarHBondContact O-N 2.9Å
272Q83.3Confident74.9Confident26 Ų2666.5 Ų66.512%0.12134%0.341CS..Hα-helixtrans-71.4-39.4-179.2-160.5174.65.500112.4D268 Y269 I275 I276 Y326 F330D268-Q272 VanDerWaalsContact O-CB 3.31Å; D268-Q272 WeakPolarHBondContact O-CB 3.38Å; D268-Q272 PolarHBondContact O-N 3.07Å; Y269-Q272 PolarHBondContact O-N 3.17Å; Q272-I275 WeakPolarHBondContact O-CB 3.32Å; Q272-I275 PolarHBondContact O-N 3.42Å; Q272-I275 VanDerWaalsContact O-N 3.13Å; Q272-I276 HydrophobicContact CG-CD1 4.33Å; Q272-I276 VanDerWaalsContact O-CG1 3.28Å; Q272-I276 WeakPolarHBondContact O-CG1 3.33Å; Q272-I276 PolarHBondContact O-N 3.34Å; Q272-Y326 HydrophobicContact CG-CE1 4.4Å; Q272-F330 VanDerWaalsContact CD-CZ 3.42Å; Q272-F330 HydrophobicContact CG-CE2 4.14Å; Q272-F330 HydrophobicContact CG-CZ 3.77Å
273G85.8Confident76.7Confident15 Ų1564.9 Ų64.916%0.15533%0.332CS..Hα-helixtrans-54.6-52.8177.500000113.5Y269 I275 I276 L277Y269-G273 PolarHBondContact O-N 3.22Å; G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 3.49Å; G273-I276 WeakPolarHBondContact O-CB 3.31Å; G273-I276 PolarHBondContact O-N 3.4Å; G273-I276 VanDerWaalsContact O-N 3.15Å; G273-L277 PolarHBondContact O-N 3.39Å
274P89.2Confident78.9Confident36 Ų3663.3 Ų63.323%0.23432%0.32CS..Hα-helixtrans-57.9-38.9173.7-2835.6000114I241 I270 Y271 L277 V278I241-P274 HydrophobicContact CD1-CB 3.92Å; I241-P274 HydrophobicContact CD1-CG 4.2Å; I241-P274 HydrophobicContact CG2-CG 4.13Å; I270-P274 WeakPolarHBondContact O-CD 3.23Å; Y271-P274 WeakPolarHBondContact O-CD 3.28Å; P274-L277 PolarHBondContact O-N 2.92Å; P274-V278 WeakPolarHBondContact O-CB 3.43Å; P274-V278 WeakPolarHBondContact O-CG2 3.48Å; P274-V278 PolarHBondContact O-N 2.88Å
275I87.4Confident81Confident0 Ų061.6 Ų61.60%029%0.293CS..Hα-helixtrans-60-47.6174.6-66.8169.8000109.9V199 F202 Y271 Q272 G273 L277 V278 L279 Y326V199-I275 HydrophobicContact CG2-CD1 3.91Å; V199-I275 HydrophobicContact CG2-CG1 4.21Å; F202-I275 HydrophobicContact CB-CG2 4.41Å; F202-I275 HydrophobicContact CD1-CG2 4.09Å; F202-I275 HydrophobicContact CD2-CD1 4.04Å; F202-I275 HydrophobicContact CD2-CG1 4.1Å; F202-I275 HydrophobicContact CD2-CG2 3.72Å; F202-I275 HydrophobicContact CE1-CG2 4.3Å; F202-I275 HydrophobicContact CE2-CD1 4.29Å; F202-I275 HydrophobicContact CE2-CG2 3.92Å; F202-I275 HydrophobicContact CG-CG2 3.83Å; F202-I275 HydrophobicContact CZ-CG2 4.22Å; Y271-I275 HydrophobicContact CD2-CD1 3.84Å; Y271-I275 HydrophobicContact CE2-CD1 4.23Å; Y271-I275 WeakPolarHBondContact O-CG1 3.34Å; Y271-I275 PolarHBondContact O-N 2.9Å; Q272-I275 WeakPolarHBondContact O-CB 3.32Å; Q272-I275 PolarHBondContact O-N 3.42Å; Q272-I275 VanDerWaalsContact O-N 3.13Å; G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 3.49Å; I275-L277 PolarHBondContact O-N 3.41Å; I275-V278 PolarHBondContact O-N 3.28Å; I275-L279 HydrophobicContact CG2-CD1 3.74Å; I275-L279 HydrophobicContact CG2-CG 4.26Å; I275-L279 WeakPolarHBondContact O-CB 3.44Å; I275-L279 VanDerWaalsContact O-CG 3.24Å; I275-L279 WeakPolarHBondContact O-CG 3.46Å; I275-L279 PolarHBondContact O-N 3.35Å; I275-Y326 HydrophobicContact CG2-CD1 3.83Å; I275-Y326 HydrophobicContact CG2-CE1 3.7Å
276I85.1Confident82.4Confident28 Ų2856.2 Ų56.214%0.14427%0.27CS..Hα-helixtrans-59.5-48.9-179.9-61.6160.7000110.9Y269 Q272 G273 V278 L279 L280 M327 F330Y269-I276 HydrophobicContact CE2-CD1 4.39Å; Q272-I276 HydrophobicContact CG-CD1 4.33Å; Q272-I276 VanDerWaalsContact O-CG1 3.28Å; Q272-I276 WeakPolarHBondContact O-CG1 3.33Å; Q272-I276 PolarHBondContact O-N 3.34Å; G273-I276 WeakPolarHBondContact O-CB 3.31Å; G273-I276 PolarHBondContact O-N 3.4Å; G273-I276 VanDerWaalsContact O-N 3.15Å; I276-V278 VanDerWaalsContact C-N 3.31Å; I276-V278 PolarHBondContact O-N 2.94Å; I276-L279 WeakPolarHBondContact O-CB 3.5Å; I276-L279 PolarHBondContact O-N 3.35Å; I276-L279 VanDerWaalsContact O-N 3.15Å; I276-L280 HydrophobicContact CG2-CD1 3.94Å; I276-L280 HydrophobicContact CG2-CG 4.25Å; I276-L280 WeakPolarHBondContact O-CG 3.38Å; I276-L280 PolarHBondContact O-N 3.33Å; I276-M327 HydrophobicContact CB-CE 4.04Å; I276-M327 HydrophobicContact CG1-CE 3.94Å; I276-M327 HydrophobicContact CG2-CE 3.84Å; I276-M327 HydrophobicContact CG2-SD 4.26Å; I276-F330 HydrophobicContact CD1-CD2 4.26Å; I276-F330 HydrophobicContact CD1-CE1 3.91Å; I276-F330 HydrophobicContact CD1-CE2 3.39Å; I276-F330 HydrophobicContact CD1-CZ 3.16Å; I276-F330 HydrophobicContact CG1-CD2 4.19Å; I276-F330 HydrophobicContact CG1-CE2 3.44Å; I276-F330 VanDerWaalsContact CG1-CE2 3.44Å; I276-F330 HydrophobicContact CG1-CZ 3.79Å
277L88.7Confident83.6Confident104 Ų10452 Ų5255%0.54526%0.257SS..Hα-helixtrans-56.3-47.7179.3177.162.6000111.3G273 P274 I275 L279 L280 I281G273-L277 PolarHBondContact O-N 3.39Å; P274-L277 PolarHBondContact O-N 2.92Å; I275-L277 PolarHBondContact O-N 3.41Å; L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 PolarHBondContact O-N 3.42Å; L277-L280 PolarHBondContact O-N 2.89Å; L277-I281 HydrophobicContact CD1-CD1 4.08Å; L277-I281 HydrophobicContact CD1-CG1 4.45Å; L277-I281 HydrophobicContact CG-CD1 4.03Å; L277-I281 VanDerWaalsContact O-CG1 3.29Å; L277-I281 WeakPolarHBondContact O-CG1 3.3Å; L277-I281 PolarHBondContact O-N 3.48Å
278V89.5Confident84.6Confident11 Ų1152.3 Ų52.37%0.06726%0.26CS..Hα-helixtrans-62.1-39.5179.3170.20000111.6F203 F206 P274 I275 I276 N282F203-V278 HydrophobicContact CE1-CG2 4.16Å; F203-V278 HydrophobicContact CE2-CG2 4.31Å; F203-V278 HydrophobicContact CZ-CG2 4.02Å; F206-V278 HydrophobicContact CB-CG1 3.24Å; F206-V278 HydrophobicContact CD2-CG1 4.08Å; F206-V278 HydrophobicContact CG-CG1 3.73Å; P274-V278 WeakPolarHBondContact O-CB 3.43Å; P274-V278 WeakPolarHBondContact O-CG2 3.48Å; P274-V278 PolarHBondContact O-N 2.88Å; I275-V278 PolarHBondContact O-N 3.28Å; I276-V278 VanDerWaalsContact C-N 3.31Å; I276-V278 PolarHBondContact O-N 2.94Å; V278-N282 WeakPolarHBondContact O-CB 3.43Å; V278-N282 PolarHBondContact O-N 3.41Å
279L85.3Confident85.4Confident6 Ų650.9 Ų50.93%0.03125%0.252CS..Hα-helixtrans-67.2-42.6176.7-72.7175.8000112.9F202 I275 I276 L277 I281 N282 F283 G323 Y326 M327F202-L279 HydrophobicContact CD1-CD1 4.22Å; F202-L279 HydrophobicContact CD1-CD2 3.73Å; F202-L279 HydrophobicContact CD1-CG 4.15Å; F202-L279 HydrophobicContact CE1-CD1 4Å; F202-L279 HydrophobicContact CE1-CD2 3.96Å; F202-L279 HydrophobicContact CE1-CG 4.37Å; I275-L279 HydrophobicContact CG2-CD1 3.74Å; I275-L279 HydrophobicContact CG2-CG 4.26Å; I275-L279 WeakPolarHBondContact O-CB 3.44Å; I275-L279 VanDerWaalsContact O-CG 3.24Å; I275-L279 WeakPolarHBondContact O-CG 3.46Å; I275-L279 PolarHBondContact O-N 3.35Å; I276-L279 WeakPolarHBondContact O-CB 3.5Å; I276-L279 PolarHBondContact O-N 3.35Å; I276-L279 VanDerWaalsContact O-N 3.15Å; L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 PolarHBondContact O-N 3.42Å; L279-I281 VanDerWaalsContact C-N 3.35Å; L279-I281 PolarHBondContact O-N 3.29Å; L279-N282 PolarHBondContact O-N 3.03Å; L279-F283 PolarHBondContact O-N 2.89Å; L279-G323 WeakPolarHBondContact CD1-O 3.26Å; L279-G323 VanDerWaalsContact CD2-C 3.42Å; L279-G323 WeakPolarHBondContact CD2-O 3.42Å; L279-Y326 HydrophobicContact CD1-CD1 3.61Å; L279-Y326 HydrophobicContact CD1-CG 4.1Å; L279-M327 HydrophobicContact CB-CE 3.89Å; L279-M327 HydrophobicContact CB-CG 4.19Å; L279-M327 HydrophobicContact CB-SD 4.11Å; L279-M327 HydrophobicContact CD1-CE 3.52Å; L279-M327 HydrophobicContact CD1-CG 4.42Å; L279-M327 HydrophobicContact CG-CE 4.35Å
280L86.1Confident85.5Confident91 Ų9145.4 Ų45.448%0.47623%0.234SC..Hα-helixtrans-61.1-43.9175.5-70.8173.7000111.3I276 L277 N282 F283 V284 M327I276-L280 HydrophobicContact CG2-CD1 3.94Å; I276-L280 HydrophobicContact CG2-CG 4.25Å; I276-L280 WeakPolarHBondContact O-CG 3.38Å; I276-L280 PolarHBondContact O-N 3.33Å; L277-L280 PolarHBondContact O-N 2.89Å; L280-N282 VanDerWaalsContact C-N 3.34Å; L280-N282 PolarHBondContact O-N 2.93Å; L280-F283 WeakPolarHBondContact O-CB 3.29Å; L280-F283 PolarHBondContact O-N 3.45Å; L280-V284 PolarHBondContact O-N 3.33Å; L280-V284 VanDerWaalsContact O-N 3.1Å; L280-M327 HydrophobicContact CD2-SD 4.1Å; L280-M327 HydrophobicContact CG-SD 4.31Å
281I89.1Confident85.6Confident58 Ų5850.3 Ų50.330%0.29725%0.248SC..Hα-helixtrans-64.3-41.5176.9-62.2163.9000110.8F206 L277 L279 F283 V284 F285F206-I281 HydrophobicContact CD2-CG2 4.35Å; F206-I281 HydrophobicContact CE2-CB 4.25Å; F206-I281 HydrophobicContact CE2-CG2 3.72Å; L277-I281 HydrophobicContact CD1-CD1 4.08Å; L277-I281 HydrophobicContact CD1-CG1 4.45Å; L277-I281 HydrophobicContact CG-CD1 4.03Å; L277-I281 VanDerWaalsContact O-CG1 3.29Å; L277-I281 WeakPolarHBondContact O-CG1 3.3Å; L277-I281 PolarHBondContact O-N 3.48Å; L279-I281 VanDerWaalsContact C-N 3.35Å; L279-I281 PolarHBondContact O-N 3.29Å; I281-F283 VanDerWaalsContact C-N 3.29Å; I281-F283 PolarHBondContact O-N 3Å; I281-V284 WeakPolarHBondContact O-CB 3.5Å; I281-V284 PolarHBondContact O-N 3.27Å; I281-F285 HydrophobicContact CG2-CD1 4.49Å; I281-F285 HydrophobicContact CG2-CD2 4.14Å; I281-F285 HydrophobicContact CG2-CE1 3.95Å; I281-F285 HydrophobicContact CG2-CE2 3.55Å; I281-F285 HydrophobicContact CG2-CZ 3.44Å; I281-F285 VanDerWaalsContact CG2-CZ 3.44Å; I281-F285 WeakPolarHBondContact O-CG 3.1Å; I281-F285 PolarHBondContact O-N 3.38Å
282N86.2Confident85.7Confident13 Ų1351 Ų517%0.0725%0.253CS..Hα-helixtrans-63.1-36.1176.5-164.312.6000112.1V278 L279 L280 F285 L286V278-N282 WeakPolarHBondContact O-CB 3.43Å; V278-N282 PolarHBondContact O-N 3.41Å; L279-N282 PolarHBondContact O-N 3.03Å; L280-N282 VanDerWaalsContact C-N 3.34Å; L280-N282 PolarHBondContact O-N 2.93Å; N282-F285 PolarHBondContact O-N 2.93Å; N282-L286 WeakPolarHBondContact O-CB 3.24Å; N282-L286 PolarHBondContact O-N 3.48Å
283F83.9Confident85.5Confident107 Ų10751.8 Ų51.847%0.46926%0.259SS..Hα-helixtrans-62.2-42.3173-179.2-99.3000112.2L279 L280 I281 L286 F287 I324L279-F283 PolarHBondContact O-N 2.89Å; L280-F283 WeakPolarHBondContact O-CB 3.29Å; L280-F283 PolarHBondContact O-N 3.45Å; I281-F283 VanDerWaalsContact C-N 3.29Å; I281-F283 PolarHBondContact O-N 3Å; F283-L286 WeakPolarHBondContact O-CB 3.3Å; F283-L286 PolarHBondContact O-N 3.42Å; F283-F287 PolarHBondContact O-N 3.02Å; F283-I324 HydrophobicContact CD2-CD1 3.76Å; F283-I324 HydrophobicContact CD2-CG1 4.21Å; F283-I324 HydrophobicContact CE2-CD1 4.28Å
284V87.1Confident85Confident78 Ų7853.9 Ų53.947%0.47327%0.265SS..Hα-helixtrans-62.7-44.3174.4175.10000111.1L280 I281 L286 F287 N288L280-V284 PolarHBondContact O-N 3.33Å; L280-V284 VanDerWaalsContact O-N 3.1Å; I281-V284 WeakPolarHBondContact O-CB 3.5Å; I281-V284 PolarHBondContact O-N 3.27Å; V284-L286 VanDerWaalsContact C-N 3.34Å; V284-L286 PolarHBondContact O-N 3.31Å; V284-F287 PolarHBondContact O-N 3.44Å; V284-N288 PolarHBondContact O-N 3.13Å
285F86.2Confident84.6Confident34 Ų3456.6 Ų56.615%0.14928%0.281CS..Hα-helixtrans-60.2-43.6175.2-66-22.8000112.1F206 C210 H213 I281 N282 F287 N288 I289F206-F285 HydrophobicContact CD2-CE2 4.16Å; F206-F285 AromaticContact CE2-CE2 3.69Å; F206-F285 HydrophobicContact CE2-CE2 3.69Å; F206-F285 HydrophobicContact CE2-CZ 4.32Å; C210-F285 HydrophobicContact CB-CE2 3.85Å; H213-F285 HydrophobicContact CB-CB 4.31Å; H213-F285 HydrophobicContact CB-CD1 4.33Å; H213-F285 HydrophobicContact CB-CG 4.23Å; H213-F285 AromaticContact CG-CD1 3.96Å; I281-F285 HydrophobicContact CG2-CD1 4.49Å; I281-F285 HydrophobicContact CG2-CD2 4.14Å; I281-F285 HydrophobicContact CG2-CE1 3.95Å; I281-F285 HydrophobicContact CG2-CE2 3.55Å; I281-F285 HydrophobicContact CG2-CZ 3.44Å; I281-F285 VanDerWaalsContact CG2-CZ 3.44Å; I281-F285 WeakPolarHBondContact O-CG 3.1Å; I281-F285 PolarHBondContact O-N 3.38Å; N282-F285 PolarHBondContact O-N 2.93Å; F285-F287 PolarHBondContact O-N 3Å; F285-N288 PolarHBondContact O-N 3.33Å; F285-I289 HydrophobicContact CB-CD1 4.49Å; F285-I289 WeakPolarHBondContact O-CB 3.1Å; F285-I289 WeakPolarHBondContact O-CD1 3.49Å; F285-I289 WeakPolarHBondContact O-CG1 3.45Å; F285-I289 PolarHBondContact O-N 2.96Å
286L81.7Confident84.1Confident16 Ų1662.7 Ų62.78%0.08431%0.308CS..Hα-helixtrans-55.8-51.9175.4171.260.3000111N282 F283 V284 N288 I289 V290 L316 P320 I324N282-L286 WeakPolarHBondContact O-CB 3.24Å; N282-L286 PolarHBondContact O-N 3.48Å; F283-L286 WeakPolarHBondContact O-CB 3.3Å; F283-L286 PolarHBondContact O-N 3.42Å; V284-L286 VanDerWaalsContact C-N 3.34Å; V284-L286 PolarHBondContact O-N 3.31Å; L286-N288 VanDerWaalsContact C-N 3.31Å; L286-N288 PolarHBondContact O-N 2.87Å; L286-I289 PolarHBondContact O-N 3.37Å; L286-V290 HydrophobicContact CD1-CG2 3.62Å; L286-V290 HydrophobicContact CG-CG2 4.36Å; L286-V290 WeakPolarHBondContact O-CB 3.36Å; L286-V290 VanDerWaalsContact O-CG2 3.3Å; L286-V290 WeakPolarHBondContact O-CG2 3.37Å; L286-V290 PolarHBondContact O-N 3.14Å; L286-L316 WeakPolarHBondContact CD1-O 3.39Å; L286-P320 HydrophobicContact CB-CB 4.19Å; L286-P320 HydrophobicContact CB-CG 3.85Å; L286-P320 HydrophobicContact CD1-CG 3.56Å; L286-P320 HydrophobicContact CD2-CB 4.09Å; L286-P320 HydrophobicContact CD2-CG 3.96Å; L286-P320 HydrophobicContact CG-CB 4.46Å; L286-P320 HydrophobicContact CG-CG 3.93Å; L286-I324 HydrophobicContact CD2-CD1 3.88Å
287F83.6Confident83.3Confident133 Ų13363.2 Ų63.258%0.58331%0.311SS*.Hα-helixtrans-57.9-45.2-178.9-179-99.3000111.6F283 V284 F285 V290 R291F283-F287 PolarHBondContact O-N 3.02Å; V284-F287 PolarHBondContact O-N 3.44Å; F285-F287 PolarHBondContact O-N 3Å; F287-V290 PolarHBondContact O-N 3.16Å; F287-R291 WeakPolarHBondContact O-CB 3.48Å; F287-R291 PolarHBondContact O-N 3.4Å
288N86.3Confident82.4Confident48 Ų4867.7 Ų67.726%0.25732%0.32SS..Hα-helixtrans-64.3-45.5177.6-72.3-20.3000112.6V284 F285 L286 R291 I292V284-N288 PolarHBondContact O-N 3.13Å; F285-N288 PolarHBondContact O-N 3.33Å; L286-N288 VanDerWaalsContact C-N 3.31Å; L286-N288 PolarHBondContact O-N 2.87Å; N288-R291 PolarHBondContact O-N 3.35Å; N288-I292 WeakPolarHBondContact O-CG1 3.26Å; N288-I292 PolarHBondContact O-N 2.93Å
289I85.1Confident81.6Confident13 Ų1371.3 Ų71.37%0.06735%0.351CS..Hα-helixtrans-60.1-48.3177.5-71.1163.8000110.1L212 H213 I216 F285 L286 R291 I292 L293L212-I289 HydrophobicContact CB-CD1 4.27Å; L212-I289 HydrophobicContact CD2-CD1 3.99Å; L212-I289 HydrophobicContact CG-CD1 3.99Å; H213-I289 HydrophobicContact CB-CD1 4.05Å; H213-I289 HydrophobicContact CB-CG1 4.24Å; I216-I289 HydrophobicContact CD1-CG1 4.28Å; I216-I289 HydrophobicContact CD1-CG2 3.77Å; F285-I289 HydrophobicContact CB-CD1 4.49Å; F285-I289 WeakPolarHBondContact O-CB 3.1Å; F285-I289 WeakPolarHBondContact O-CD1 3.49Å; F285-I289 WeakPolarHBondContact O-CG1 3.45Å; F285-I289 PolarHBondContact O-N 2.96Å; L286-I289 PolarHBondContact O-N 3.37Å; I289-R291 VanDerWaalsContact C-N 3.34Å; I289-R291 PolarHBondContact O-N 3.43Å; I289-I292 PolarHBondContact O-N 3.41Å; I289-L293 VanDerWaalsContact O-CB 3.25Å; I289-L293 WeakPolarHBondContact O-CB 3.16Å; I289-L293 PolarHBondContact O-N 2.75Å
290V81.6Confident80.7Confident36 Ų3673.8 Ų73.822%0.21837%0.369CS..Hα-helixtrans-60.4-44.5178.51710000110.5L286 F287 L293 M294 V317L286-V290 HydrophobicContact CD1-CG2 3.62Å; L286-V290 HydrophobicContact CG-CG2 4.36Å; L286-V290 WeakPolarHBondContact O-CB 3.36Å; L286-V290 VanDerWaalsContact O-CG2 3.3Å; L286-V290 WeakPolarHBondContact O-CG2 3.37Å; L286-V290 PolarHBondContact O-N 3.14Å; F287-V290 PolarHBondContact O-N 3.16Å; V290-L293 PolarHBondContact O-N 2.96Å; V290-M294 HydrophobicContact CG1-CG 4.1Å; V290-M294 WeakPolarHBondContact O-CB 3.25Å; V290-M294 WeakPolarHBondContact O-CG 3.18Å; V290-M294 PolarHBondContact O-N 2.88Å; V290-V317 HydrophobicContact CG2-CG2 4.36Å
291R84.9Confident79.5Confident169 Ų16975.5 Ų75.564%0.63838%0.383SS*.Hα-helixtrans-57.9-52176.5-177.6-171.2-179.6-162.21.9111.7F287 N288 I289 T295F287-R291 WeakPolarHBondContact O-CB 3.48Å; F287-R291 PolarHBondContact O-N 3.4Å; N288-R291 PolarHBondContact O-N 3.35Å; I289-R291 VanDerWaalsContact C-N 3.34Å; I289-R291 PolarHBondContact O-N 3.43Å; R291-T295 WeakPolarHBondContact O-CB 3.34Å; R291-T295 PolarHBondContact O-N 3.41Å; R291-T295 PolarHBondContact O-OG1 3.48Å
292I84.1Confident78.7Confident48 Ų4876.4 Ų76.425%0.24639%0.392CS..Hα-helixtrans-63.6-47.3-178.1-66.6167.3000110.3I216 V217 N288 I289 T295 K296I216-I292 HydrophobicContact CG2-CB 4.25Å; I216-I292 HydrophobicContact CG2-CD1 4.34Å; I216-I292 HydrophobicContact CG2-CG2 3.63Å; V217-I292 HydrophobicContact CG2-CD1 3.63Å; N288-I292 WeakPolarHBondContact O-CG1 3.26Å; N288-I292 PolarHBondContact O-N 2.93Å; I289-I292 PolarHBondContact O-N 3.41Å; I292-T295 WeakPolarHBondContact O-CB 3.41Å; I292-T295 PolarHBondContact O-N 3.02Å; I292-K296 HydrophobicContact CG2-CD 4.45Å; I292-K296 PolarHBondContact O-N 2.97Å
293L78Confident77.4Confident44 Ų4480.7 Ų80.723%0.2342%0.423CS..Hα-helixtrans-64.8-43.6-178.9-179.266.6000111.9I289 V290 T295 K296 L297 V312 L316I289-L293 VanDerWaalsContact O-CB 3.25Å; I289-L293 WeakPolarHBondContact O-CB 3.16Å; I289-L293 PolarHBondContact O-N 2.75Å; V290-L293 PolarHBondContact O-N 2.96Å; L293-T295 VanDerWaalsContact C-N 3.26Å; L293-T295 PolarHBondContact O-N 3.13Å; L293-K296 PolarHBondContact O-N 3.13Å; L293-L297 HydrophobicContact CD1-CD1 3.99Å; L293-L297 HydrophobicContact CD1-CG 4Å; L293-L297 HydrophobicContact CD2-CD1 4.15Å; L293-L297 HydrophobicContact CG-CD1 3.68Å; L293-L297 HydrophobicContact CG-CG 4.12Å; L293-L297 VanDerWaalsContact O-CB 3.32Å; L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 VanDerWaalsContact O-CG 3.32Å; L293-L297 WeakPolarHBondContact O-CG 3.29Å; L293-L297 PolarHBondContact O-N 3.46Å; L293-V312 HydrophobicContact CD2-CG1 3.92Å; L293-L316 HydrophobicContact CD2-CD1 2.95Å; L293-L316 HydrophobicContact CD2-CG 4.45Å; L293-L316 HydrophobicContact CG-CD1 4.45Å
294M76.7Confident76.5Confident58 Ų5883.2 Ų83.229%0.28644%0.436SS..Hα-helixtrans-60.8-39176.2-76.4-65.8158.300111.5V290 R298 K313V290-M294 HydrophobicContact CG1-CG 4.1Å; V290-M294 WeakPolarHBondContact O-CB 3.25Å; V290-M294 WeakPolarHBondContact O-CG 3.18Å; V290-M294 PolarHBondContact O-N 2.88Å; M294-R298 VanDerWaalsContact O-CB 3.29Å; M294-R298 WeakPolarHBondContact O-CB 3.35Å; M294-R298 PolarHBondContact O-N 2.79Å; M294-K313 HydrophobicContact CE-CB 3.6Å; M294-K313 HydrophobicContact CE-CD 3.74Å; M294-K313 HydrophobicContact CE-CG 3.56Å
295T81Confident75.3Confident94 Ų9480.9 Ų80.958%0.57742%0.422SS*.Hα-helixtrans-64.2-46.6176.4-53.90000111.1R291 I292 L293 R298 A299R291-T295 WeakPolarHBondContact O-CB 3.34Å; R291-T295 PolarHBondContact O-N 3.41Å; R291-T295 PolarHBondContact O-OG1 3.48Å; I292-T295 WeakPolarHBondContact O-CB 3.41Å; I292-T295 PolarHBondContact O-N 3.02Å; L293-T295 VanDerWaalsContact C-N 3.26Å; L293-T295 PolarHBondContact O-N 3.13Å; T295-R298 PolarHBondContact O-N 3.21Å; T295-A299 PolarHBondContact O-N 3.29Å
296K75.1Confident74.2Confident127 Ų12783.8 Ų83.855%0.55244%0.438SS*.Hα-helixtrans-65.7-42.3176.7-72.6-169.9175.9-177.40112.8I292 L293 R298 A299I292-K296 HydrophobicContact CG2-CD 4.45Å; I292-K296 PolarHBondContact O-N 2.97Å; L293-K296 PolarHBondContact O-N 3.13Å; K296-R298 VanDerWaalsContact C-N 3.34Å; K296-A299 PolarHBondContact O-N 3.47Å
297L69.7Low73.2Confident40 Ų4090.6 Ų90.621%0.20947%0.47CS..Hα-helixtrans-64.6-40.3178.1-75.7171.9000110.8L293 A299 S300 R309 V312L293-L297 HydrophobicContact CD1-CD1 3.99Å; L293-L297 HydrophobicContact CD1-CG 4Å; L293-L297 HydrophobicContact CD2-CD1 4.15Å; L293-L297 HydrophobicContact CG-CD1 3.68Å; L293-L297 HydrophobicContact CG-CG 4.12Å; L293-L297 VanDerWaalsContact O-CB 3.32Å; L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 VanDerWaalsContact O-CG 3.32Å; L293-L297 WeakPolarHBondContact O-CG 3.29Å; L293-L297 PolarHBondContact O-N 3.46Å; L297-A299 VanDerWaalsContact C-N 3.26Å; L297-A299 PolarHBondContact O-N 2.75Å; L297-S300 PolarHBondContact O-N 3.41Å; L297-S300 VanDerWaalsContact O-N 3.13Å; L297-R309 HydrophobicContact CB-CG 3.87Å; L297-R309 HydrophobicContact CD1-CG 3.93Å; L297-R309 HydrophobicContact CD2-CG 4.38Å; L297-R309 HydrophobicContact CG-CG 4.29Å; L297-R309 PolarHBondContact O-NE 2.96Å; L297-R309 PolarHBondContact O-NH2 3.41Å; L297-V312 HydrophobicContact CD1-CG1 4.45Å
298R70Confident72.3Confident197 Ų19792.2 Ų92.274%0.74347%0.473SS*.Hα-helixtrans-57.8-36.7177.5-170.4177.6-172.9-177.62.5112.7M294 T295 K296 S300 R309M294-R298 VanDerWaalsContact O-CB 3.29Å; M294-R298 WeakPolarHBondContact O-CB 3.35Å; M294-R298 PolarHBondContact O-N 2.79Å; T295-R298 PolarHBondContact O-N 3.21Å; K296-R298 VanDerWaalsContact C-N 3.34Å; R298-S300 PolarHBondContact O-N 3.16Å; R298-R309 PolarHBondContact O-NH2 2.84Å
299A72.6Confident71.4Confident87 Ų8792.5 Ų92.572%0.71947%0.47SS*.Hα-helixtrans-67.3-20179.200000114T295 K296 L297T295-A299 PolarHBondContact O-N 3.29Å; K296-A299 PolarHBondContact O-N 3.47Å; L297-A299 VanDerWaalsContact C-N 3.26Å; L297-A299 PolarHBondContact O-N 2.75Å
300S65.8Low70.2Confident58 Ų5899.4 Ų99.441%0.40650%0.5SS..  trans-99.5112.8176.8179.40000110.7L297 R298 T305 R309L297-S300 PolarHBondContact O-N 3.41Å; L297-S300 VanDerWaalsContact O-N 3.13Å; R298-S300 PolarHBondContact O-N 3.16Å; S300-T305 PolarHBondContact O-OG1 2.85Å; S300-R309 PolarHBondContact O-NH2 3.38Å
301T61.8Low69.2Low127 Ų127100.5 Ų100.578%0.77951%0.513SS*.  trans-108.669.3-169.751.90000113.6
302T71.4Confident68.2Low78 Ų7894.2 Ų94.248%0.47949%0.493SS..  trans-117.8146.7169.435.60000111.7E304 T305 I306T302-E304 VanDerWaalsContact C-N 3.32Å; T302-E304 PolarHBondContact O-N 3.47Å; T302-T305 PolarHBondContact N-OG1 2.95Å; T302-T305 WeakPolarHBondContact O-CB 3.36Å; T302-T305 PolarHBondContact O-N 2.93Å; T302-T305 PolarHBondContact O-OG1 3.34Å; T302-T305 WeakPolarHBondContact OG1-CG2 3.37Å; T302-T305 PolarHBondContact OG1-OG1 2.91Å; T302-I306 PolarHBondContact O-N 3.44Å
303S59.7Low67.2Low102 Ų10297.4 Ų97.471%0.71351%0.505SS*.Hα-helixtrans-58.8-39.2-176.552.10000113.1T305 I306S303-T305 VanDerWaalsContact C-N 3.29Å; S303-T305 PolarHBondContact O-N 2.96Å; S303-I306 PolarHBondContact O-N 2.9Å
304E63.4Low66.5Low160 Ų16098.3 Ų98.375%0.74852%0.519SS*.Hα-helixtrans-61.6-35.2173.1-64.1-161.3135.100112.4T302 I306 Q307 Y308T302-E304 VanDerWaalsContact C-N 3.32Å; T302-E304 PolarHBondContact O-N 3.47Å; E304-I306 VanDerWaalsContact C-N 3.25Å; E304-I306 PolarHBondContact O-N 2.73Å; E304-Q307 PolarHBondContact O-N 2.64Å; E304-Y308 WeakPolarHBondContact O-CB 3.49Å; E304-Y308 PolarHBondContact O-N 3.43Å
305T62.2Low65.9Low30 Ų3097.7 Ų97.718%0.18452%0.519CS..Hα-helixtrans-68.4-22.4177.966.10000113S300 T302 S303 R309S300-T305 PolarHBondContact O-OG1 2.85Å; T302-T305 PolarHBondContact N-OG1 2.95Å; T302-T305 WeakPolarHBondContact O-CB 3.36Å; T302-T305 PolarHBondContact O-N 2.93Å; T302-T305 PolarHBondContact O-OG1 3.34Å; T302-T305 WeakPolarHBondContact OG1-CG2 3.37Å; T302-T305 PolarHBondContact OG1-OG1 2.91Å; S303-T305 VanDerWaalsContact C-N 3.29Å; S303-T305 PolarHBondContact O-N 2.96Å; T305-R309 VanDerWaalsContact O-CB 3.31Å; T305-R309 WeakPolarHBondContact O-CB 3.27Å; T305-R309 WeakPolarHBondContact O-CD 3.44Å; T305-R309 WeakPolarHBondContact O-CG 3.35Å; T305-R309 PolarHBondContact O-N 3.22Å
306I64.3Low65Low95 Ų9595.1 Ų95.149%0.48750%0.501SS..Hα-helixtrans-72.7-40177-61.3173000111T302 S303 E304 K310T302-I306 PolarHBondContact O-N 3.44Å; S303-I306 PolarHBondContact O-N 2.9Å; E304-I306 VanDerWaalsContact C-N 3.25Å; E304-I306 PolarHBondContact O-N 2.73Å; I306-K310 PolarHBondContact O-N 3.46Å
307Q60.8Low64.2Low159 Ų15991.5 Ų91.574%0.74349%0.49SS*.Hα-helixtrans-72.1-39.5174.6-163.5171.915.300111E304 R309 K310 A311E304-Q307 PolarHBondContact O-N 2.64Å; Q307-R309 VanDerWaalsContact C-N 3.34Å; Q307-R309 PolarHBondContact O-N 3.35Å; Q307-K310 PolarHBondContact O-N 2.95Å; Q307-A311 PolarHBondContact O-N 2.98Å
308Y63.8Low63.8Low166 Ų16691.8 Ų91.865%0.65149%0.491SS*.Hα-helixtrans-61.4-39.2173.8-132.3-95.2000112.2E304 K310 A311 V312E304-Y308 WeakPolarHBondContact O-CB 3.49Å; E304-Y308 PolarHBondContact O-N 3.43Å; Y308-K310 VanDerWaalsContact C-N 3.31Å; Y308-K310 PolarHBondContact O-N 3.11Å; Y308-A311 PolarHBondContact O-N 3.25Å; Y308-V312 HydrophobicContact CD1-CG2 3.5Å; Y308-V312 VanDerWaalsContact CD1-CG2 3.5Å; Y308-V312 HydrophobicContact CE1-CG2 3.81Å; Y308-V312 WeakPolarHBondContact O-CB 3.41Å; Y308-V312 WeakPolarHBondContact O-CG2 3.23Å; Y308-V312 PolarHBondContact O-N 3.15Å
309R66.6Low63.6Low54 Ų5483.8 Ų83.820%0.20446%0.463CS..Hα-helixtrans-57.6-39.8174.6-81.9168.1-163.8-171.212.8112.5L297 R298 S300 T305 Q307 K313L297-R309 HydrophobicContact CB-CG 3.87Å; L297-R309 HydrophobicContact CD1-CG 3.93Å; L297-R309 HydrophobicContact CD2-CG 4.38Å; L297-R309 HydrophobicContact CG-CG 4.29Å; L297-R309 PolarHBondContact O-NE 2.96Å; L297-R309 PolarHBondContact O-NH2 3.41Å; R298-R309 PolarHBondContact O-NH2 2.84Å; S300-R309 PolarHBondContact O-NH2 3.38Å; T305-R309 VanDerWaalsContact O-CB 3.31Å; T305-R309 WeakPolarHBondContact O-CB 3.27Å; T305-R309 WeakPolarHBondContact O-CD 3.44Å; T305-R309 WeakPolarHBondContact O-CG 3.35Å; T305-R309 PolarHBondContact O-N 3.22Å; Q307-R309 VanDerWaalsContact C-N 3.34Å; Q307-R309 PolarHBondContact O-N 3.35Å; R309-K313 WeakPolarHBondContact O-CB 3.36Å; R309-K313 PolarHBondContact O-N 3.45Å
310K61.6Low62.7Low159 Ų15980.1 Ų80.169%0.69143%0.432SS*.Hα-helixtrans-69.5-44.1-179.8-68.6-177.1-178.7-178.80111.9I306 Q307 Y308 A314I306-K310 PolarHBondContact O-N 3.46Å; Q307-K310 PolarHBondContact O-N 2.95Å; Y308-K310 VanDerWaalsContact C-N 3.31Å; Y308-K310 PolarHBondContact O-N 3.11Å; K310-A314 PolarHBondContact O-N 3Å; K310-A314 VanDerWaalsContact O-N 3.11Å
311A60.5Low62.2Low59 Ų5980.4 Ų80.449%0.48843%0.428SS..Hα-helixtrans-68.8-46.417800000111.9Q307 Y308 K313 A314 T315Q307-A311 PolarHBondContact O-N 2.98Å; Y308-A311 PolarHBondContact O-N 3.25Å; A311-K313 VanDerWaalsContact C-N 3.31Å; A311-K313 PolarHBondContact O-N 3.48Å; A311-A314 PolarHBondContact O-N 2.72Å; A311-T315 WeakPolarHBondContact O-CB 3.38Å; A311-T315 PolarHBondContact O-N 2.95Å; A311-T315 PolarHBondContact O-OG1 3.08Å; A311-T315 VanDerWaalsContact O-OG1 3.13Å
312V63.9Low62Low36 Ų3675 Ų7522%0.21840%0.395CS..Hα-helixtrans-63.5-36.4176.8170.60000111.3L293 L297 Y308 L316L293-V312 HydrophobicContact CD2-CG1 3.92Å; L297-V312 HydrophobicContact CD1-CG1 4.45Å; Y308-V312 HydrophobicContact CD1-CG2 3.5Å; Y308-V312 VanDerWaalsContact CD1-CG2 3.5Å; Y308-V312 HydrophobicContact CE1-CG2 3.81Å; Y308-V312 WeakPolarHBondContact O-CB 3.41Å; Y308-V312 WeakPolarHBondContact O-CG2 3.23Å; Y308-V312 PolarHBondContact O-N 3.15Å; V312-L316 HydrophobicContact CG1-CD1 3.41Å; V312-L316 VanDerWaalsContact CG1-CD1 3.41Å; V312-L316 HydrophobicContact CG1-CG 4.14Å; V312-L316 WeakPolarHBondContact O-CB 3.37Å; V312-L316 VanDerWaalsContact O-CG 3.29Å; V312-L316 WeakPolarHBondContact O-CG 3.39Å; V312-L316 PolarHBondContact O-N 2.8Å
313K62Low61.6Low116 Ų11671.3 Ų71.350%0.50437%0.372SS..Hα-helixtrans-60.2-49.8171.7-172.7176.4-179.8-174.40111.5M294 R309 A311 V317M294-K313 HydrophobicContact CE-CB 3.6Å; M294-K313 HydrophobicContact CE-CD 3.74Å; M294-K313 HydrophobicContact CE-CG 3.56Å; R309-K313 WeakPolarHBondContact O-CB 3.36Å; R309-K313 PolarHBondContact O-N 3.45Å; A311-K313 VanDerWaalsContact C-N 3.31Å; A311-K313 PolarHBondContact O-N 3.48Å; K313-V317 HydrophobicContact CG-CG2 4.42Å; K313-V317 VanDerWaalsContact O-CB 3.23Å; K313-V317 WeakPolarHBondContact O-CB 3.31Å; K313-V317 WeakPolarHBondContact O-CG2 3.23Å; K313-V317 PolarHBondContact O-N 3.29Å
314A63.3Low61.8Low63 Ų6368.1 Ų68.152%0.52135%0.347SS..Hα-helixtrans-63.7-45.7-179.300000111.4K310 A311 L318K310-A314 PolarHBondContact O-N 3Å; K310-A314 VanDerWaalsContact O-N 3.11Å; A311-A314 PolarHBondContact O-N 2.72Å; A314-L318 VanDerWaalsContact O-CB 3.22Å; A314-L318 WeakPolarHBondContact O-CB 3.15Å; A314-L318 PolarHBondContact O-N 3.49Å
315T64.8Low61.9Low45 Ų4561 Ų6128%0.27632%0.315SS..Hα-helixtrans-67-40.4179.8-61.20000113.2A311 L318 L319 F361A311-T315 WeakPolarHBondContact O-CB 3.38Å; A311-T315 PolarHBondContact O-N 2.95Å; A311-T315 PolarHBondContact O-OG1 3.08Å; A311-T315 VanDerWaalsContact O-OG1 3.13Å; T315-L318 PolarHBondContact O-N 2.91Å; T315-L319 PolarHBondContact O-N 3.36Å; T315-L319 VanDerWaalsContact O-N 3.14Å; T315-F361 HydrophobicContact CG2-CB 4.47Å; T315-F361 HydrophobicContact CG2-CD1 3.23Å; T315-F361 HydrophobicContact CG2-CE1 3.5Å; T315-F361 HydrophobicContact CG2-CG 3.88Å; T315-F361 HydrophobicContact CG2-CZ 4.36Å; T315-F361 WeakPolarHBondContact OG1-CE1 3.04Å
316L62.8Low62Low40 Ų4061.3 Ų61.321%0.20931%0.312CS..Hα-helixtrans-79.3-25.7-179.7-72.8172.8000113.8L286 L293 V312 L318 L319 P320L286-L316 WeakPolarHBondContact CD1-O 3.39Å; L293-L316 HydrophobicContact CD2-CD1 2.95Å; L293-L316 HydrophobicContact CD2-CG 4.45Å; L293-L316 HydrophobicContact CG-CD1 4.45Å; V312-L316 HydrophobicContact CG1-CD1 3.41Å; V312-L316 VanDerWaalsContact CG1-CD1 3.41Å; V312-L316 HydrophobicContact CG1-CG 4.14Å; V312-L316 WeakPolarHBondContact O-CB 3.37Å; V312-L316 VanDerWaalsContact O-CG 3.29Å; V312-L316 WeakPolarHBondContact O-CG 3.39Å; V312-L316 PolarHBondContact O-N 2.8Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L316-L319 WeakPolarHBondContact O-CB 3.37Å; L316-P320 VanDerWaalsContact O-CD 3.28Å; L316-P320 WeakPolarHBondContact O-CD 3.25Å
317V56.5Low61.7Low51 Ų5158.5 Ų58.531%0.30930%0.297SS..Hα-helixtrans-72.3-33.6168.2170.90000110V290 K313 L319 P320 L321V290-V317 HydrophobicContact CG2-CG2 4.36Å; K313-V317 HydrophobicContact CG-CG2 4.42Å; K313-V317 VanDerWaalsContact O-CB 3.23Å; K313-V317 WeakPolarHBondContact O-CB 3.31Å; K313-V317 WeakPolarHBondContact O-CG2 3.23Å; K313-V317 PolarHBondContact O-N 3.29Å; V317-L319 VanDerWaalsContact C-N 3.29Å; V317-L319 PolarHBondContact O-N 3.21Å; V317-P320 VanDerWaalsContact O-CD 3.3Å; V317-P320 WeakPolarHBondContact O-CD 3.38Å; V317-L321 HydrophobicContact CG1-CD1 3.83Å; V317-L321 HydrophobicContact CG1-CG 4.47Å; V317-L321 WeakPolarHBondContact O-CD1 3.26Å; V317-L321 VanDerWaalsContact O-CG 3.29Å; V317-L321 WeakPolarHBondContact O-CG 3.33Å; V317-L321 PolarHBondContact O-N 3.21Å
318L62.4Low61.7Low45 Ų4553.8 Ų53.824%0.23628%0.277CS..Hα-helixtrans-70.5-23.6176.9-166.358.1000113.6A314 T315 L316 L321 F361A314-L318 VanDerWaalsContact O-CB 3.22Å; A314-L318 WeakPolarHBondContact O-CB 3.15Å; A314-L318 PolarHBondContact O-N 3.49Å; T315-L318 PolarHBondContact O-N 2.91Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L318-L321 HydrophobicContact CD1-CB 4.26Å; L318-L321 HydrophobicContact CD1-CD1 4.13Å; L318-L321 PolarHBondContact O-N 3.02Å; L318-F361 HydrophobicContact CD2-CD2 4.4Å; L318-F361 HydrophobicContact CD2-CE2 3.37Å; L318-F361 HydrophobicContact CD2-CZ 3.7Å; L318-F361 HydrophobicContact CG-CE2 4.24Å
319L64.4Low61.3Low29 Ų2950.6 Ų50.615%0.15227%0.267CS..Hα-helixtrans-59.4-44.5-177.8-154.2104.3000112.9L212 T315 L316 V317 Y362L212-L319 HydrophobicContact CD2-CD2 3.85Å; T315-L319 PolarHBondContact O-N 3.36Å; T315-L319 VanDerWaalsContact O-N 3.14Å; L316-L319 WeakPolarHBondContact O-CB 3.37Å; V317-L319 VanDerWaalsContact C-N 3.29Å; V317-L319 PolarHBondContact O-N 3.21Å; L319-Y362 HydrophobicContact CD1-CE1 3.54Å; L319-Y362 HydrophobicContact CD1-CE2 4.31Å; L319-Y362 VanDerWaalsContact CD1-CZ 3.4Å; L319-Y362 WeakPolarHBondContact CD1-OH 3.46Å; L319-Y362 WeakPolarHBondContact CD2-OH 3.39Å; L319-Y362 HydrophobicContact CG-CE1 4.35Å; L319-Y362 WeakPolarHBondContact CG-OH 3.47Å
320P53.8Low60.6Low11 Ų1152.3 Ų52.37%0.07128%0.276CS..Hα-helixtrans-102.5-9.1178.1-9.135.3000112.6L286 L316 V317 L322 G323 I324L286-P320 HydrophobicContact CB-CB 4.19Å; L286-P320 HydrophobicContact CB-CG 3.85Å; L286-P320 HydrophobicContact CD1-CG 3.56Å; L286-P320 HydrophobicContact CD2-CB 4.09Å; L286-P320 HydrophobicContact CD2-CG 3.96Å; L286-P320 HydrophobicContact CG-CB 4.46Å; L286-P320 HydrophobicContact CG-CG 3.93Å; L316-P320 VanDerWaalsContact O-CD 3.28Å; L316-P320 WeakPolarHBondContact O-CD 3.25Å; V317-P320 VanDerWaalsContact O-CD 3.3Å; V317-P320 WeakPolarHBondContact O-CD 3.38Å; P320-L322 PolarHBondContact O-N 3.48Å; P320-L322 VanDerWaalsContact O-N 3.08Å; P320-G323 PolarHBondContact O-N 3.24Å; P320-I324 PolarHBondContact O-N 3.21Å; P320-I324 VanDerWaalsContact O-N 3.14Å
321L55.3Low60.4Low63 Ų6349.5 Ų49.533%0.3327%0.272SS..Hα-helixtrans-54.1-27.6171.6-93.7167.4000112V317 L318 G323 I324 T325V317-L321 HydrophobicContact CG1-CD1 3.83Å; V317-L321 HydrophobicContact CG1-CG 4.47Å; V317-L321 WeakPolarHBondContact O-CD1 3.26Å; V317-L321 VanDerWaalsContact O-CG 3.29Å; V317-L321 WeakPolarHBondContact O-CG 3.33Å; V317-L321 PolarHBondContact O-N 3.21Å; L318-L321 HydrophobicContact CD1-CB 4.26Å; L318-L321 HydrophobicContact CD1-CD1 4.13Å; L318-L321 PolarHBondContact O-N 3.02Å; L321-G323 PolarHBondContact O-N 2.92Å; L321-I324 HydrophobicContact CD2-CB 4.21Å; L321-I324 HydrophobicContact CD2-CD1 4.23Å; L321-I324 HydrophobicContact CD2-CG2 4.3Å; L321-I324 HydrophobicContact CG-CD1 4.37Å; L321-I324 PolarHBondContact O-N 3.41Å; L321-I324 VanDerWaalsContact O-N 3.11Å; L321-T325 WeakPolarHBondContact O-CG2 3.36Å; L321-T325 PolarHBondContact O-N 3.21Å
322L59.2Low59.7Low14 Ų1453.1 Ų53.17%0.07328%0.283CS..Hα-helixtrans-63.8-19.8174.6-56.7171.8000113.7M205 P320 Q354 F357 V358M205-L322 HydrophobicContact SD-CB 4.33Å; P320-L322 PolarHBondContact O-N 3.48Å; P320-L322 VanDerWaalsContact O-N 3.08Å; L322-Q354 HydrophobicContact CB-CG 3.64Å; L322-Q354 HydrophobicContact CD1-CG 4.34Å; L322-Q354 HydrophobicContact CD2-CB 4.18Å; L322-Q354 HydrophobicContact CD2-CG 3.43Å; L322-Q354 VanDerWaalsContact CD2-CG 3.43Å; L322-Q354 HydrophobicContact CG-CG 3.96Å; L322-Q354 PolarHBondContact O-NE2 3.48Å; L322-F357 HydrophobicContact CD2-CB 4.46Å; L322-V358 HydrophobicContact CD1-CG2 3.27Å
323G62.3Low59.3Low1 Ų152.8 Ų52.81%0.0128%0.281CS..Hα-helixtrans-96.7-33.416700000113.2L279 P320 L321 T325 Y326L279-G323 WeakPolarHBondContact CD1-O 3.26Å; L279-G323 VanDerWaalsContact CD2-C 3.42Å; L279-G323 WeakPolarHBondContact CD2-O 3.42Å; P320-G323 PolarHBondContact O-N 3.24Å; L321-G323 PolarHBondContact O-N 2.92Å; G323-T325 VanDerWaalsContact C-N 3.28Å; G323-T325 PolarHBondContact O-N 3.3Å; G323-Y326 PolarHBondContact O-N 3.49Å
324I62.9Low58.9Low35 Ų3549.2 Ų49.218%0.17928%0.278CS..Hα-helixtrans-66.3-29.5179.9-60.5168.1000111.7F283 L286 P320 L321 Y326 M327 L328F283-I324 HydrophobicContact CD2-CD1 3.76Å; F283-I324 HydrophobicContact CD2-CG1 4.21Å; F283-I324 HydrophobicContact CE2-CD1 4.28Å; L286-I324 HydrophobicContact CD2-CD1 3.88Å; P320-I324 PolarHBondContact O-N 3.21Å; P320-I324 VanDerWaalsContact O-N 3.14Å; L321-I324 HydrophobicContact CD2-CB 4.21Å; L321-I324 HydrophobicContact CD2-CD1 4.23Å; L321-I324 HydrophobicContact CD2-CG2 4.3Å; L321-I324 HydrophobicContact CG-CD1 4.37Å; L321-I324 PolarHBondContact O-N 3.41Å; L321-I324 VanDerWaalsContact O-N 3.11Å; I324-Y326 PolarHBondContact O-N 3.08Å; I324-Y326 VanDerWaalsContact O-N 3.1Å; I324-M327 WeakPolarHBondContact O-CA 3.37Å; I324-M327 VanDerWaalsContact O-CB 3.31Å; I324-M327 WeakPolarHBondContact O-CB 3.39Å; I324-M327 PolarHBondContact O-N 3.34Å; I324-L328 PolarHBondContact O-N 3.23Å
325T65.9Low58.7Low11 Ų1155.3 Ų55.37%0.06730%0.296CS..Hα-helixtrans-56.8-28.4175.958.90000113L321 G323 L328 L350L321-T325 WeakPolarHBondContact O-CG2 3.36Å; L321-T325 PolarHBondContact O-N 3.21Å; G323-T325 VanDerWaalsContact C-N 3.28Å; G323-T325 PolarHBondContact O-N 3.3Å; T325-L328 WeakPolarHBondContact O-CB 3.31Å; T325-L328 PolarHBondContact O-N 3.44Å; T325-L350 HydrophobicContact CG2-CB 3.69Å; T325-L350 HydrophobicContact CG2-CD1 3.51Å; T325-L350 HydrophobicContact CG2-CG 4.09Å
326Y64.8Low58.9Low36 Ų3658.2 Ų58.214%0.14131%0.309CS..Hα-helixtrans-78.2-25174.8-165.3-95000112.9F202 Q272 I275 L279 G323 I324 L328 F329 F330F202-Y326 HydrophobicContact CE1-CG 4.24Å; F202-Y326 HydrophobicContact CE2-CD2 4.39Å; F202-Y326 HydrophobicContact CZ-CD1 4.28Å; F202-Y326 AromaticContact CZ-CD2 3.77Å; F202-Y326 HydrophobicContact CZ-CD2 3.77Å; F202-Y326 HydrophobicContact CZ-CE2 4.37Å; F202-Y326 AromaticContact CZ-CG 3.72Å; F202-Y326 HydrophobicContact CZ-CG 3.72Å; Q272-Y326 HydrophobicContact CG-CE1 4.4Å; I275-Y326 HydrophobicContact CG2-CD1 3.83Å; I275-Y326 HydrophobicContact CG2-CE1 3.7Å; L279-Y326 HydrophobicContact CD1-CD1 3.61Å; L279-Y326 HydrophobicContact CD1-CG 4.1Å; G323-Y326 PolarHBondContact O-N 3.49Å; I324-Y326 PolarHBondContact O-N 3.08Å; I324-Y326 VanDerWaalsContact O-N 3.1Å; Y326-L328 PolarHBondContact O-N 3.43Å; Y326-F329 WeakPolarHBondContact O-CB 3.39Å; Y326-F329 PolarHBondContact O-N 2.95Å; Y326-F330 HydrophobicContact CE1-CE2 4.42Å
327M58.6Low59.2Low35 Ų3558.9 Ų58.917%0.17231%0.313CS..Hα-helixtrans-67.6-27.6171.1-67.2-72.389.700112.4I276 L279 L280 I324 F329 F330 V331I276-M327 HydrophobicContact CB-CE 4.04Å; I276-M327 HydrophobicContact CG1-CE 3.94Å; I276-M327 HydrophobicContact CG2-CE 3.84Å; I276-M327 HydrophobicContact CG2-SD 4.26Å; L279-M327 HydrophobicContact CB-CE 3.89Å; L279-M327 HydrophobicContact CB-CG 4.19Å; L279-M327 HydrophobicContact CB-SD 4.11Å; L279-M327 HydrophobicContact CD1-CE 3.52Å; L279-M327 HydrophobicContact CD1-CG 4.42Å; L279-M327 HydrophobicContact CG-CE 4.35Å; L280-M327 HydrophobicContact CD2-SD 4.1Å; L280-M327 HydrophobicContact CG-SD 4.31Å; I324-M327 WeakPolarHBondContact O-CA 3.37Å; I324-M327 VanDerWaalsContact O-CB 3.31Å; I324-M327 WeakPolarHBondContact O-CB 3.39Å; I324-M327 PolarHBondContact O-N 3.34Å; M327-F329 PolarHBondContact O-N 2.9Å; M327-F330 HydrophobicContact CE-CD2 4.3Å; M327-F330 PolarHBondContact O-N 2.83Å; M327-F330 VanDerWaalsContact O-N 3.12Å; M327-V331 PolarHBondContact O-N 3.26Å
328L59.5Low60.1Low60 Ų6062.7 Ų62.731%0.31433%0.33SS..THydrogen-bonded Turntrans-61.3-27.6173.3-64.8175000111.2I324 T325 Y326 F330 V331 F343 F346I324-L328 PolarHBondContact O-N 3.23Å; T325-L328 WeakPolarHBondContact O-CB 3.31Å; T325-L328 PolarHBondContact O-N 3.44Å; Y326-L328 PolarHBondContact O-N 3.43Å; L328-F330 PolarHBondContact O-N 2.61Å; L328-F330 VanDerWaalsContact O-N 3.16Å; L328-V331 PolarHBondContact O-N 3.45Å; L328-F343 VanDerWaalsContact C-CE2 3.44Å; L328-F343 HydrophobicContact CB-CE2 3.7Å; L328-F343 HydrophobicContact CB-CZ 4.16Å; L328-F343 WeakPolarHBondContact O-CE2 3.18Å; L328-F343 WeakPolarHBondContact O-CZ 3.48Å; L328-F346 HydrophobicContact CD1-CD1 4.17Å; L328-F346 HydrophobicContact CD1-CE1 3.82Å
329F55.8Low60.5Low99 Ų9962.9 Ų62.943%0.43434%0.336SS..THydrogen-bonded Turntrans-59.9-24.3175.1-171-99.4000114.1Y326 M327Y326-F329 WeakPolarHBondContact O-CB 3.39Å; Y326-F329 PolarHBondContact O-N 2.95Å; M327-F329 PolarHBondContact O-N 2.9Å
330F51.9Low60.8Low90 Ų9064.8 Ų64.840%0.39534%0.344SS..THydrogen-bonded Turntrans-96.2-22.1179.5-78.9-78.5000114Q272 I276 Y326 M327 L328 N332Q272-F330 VanDerWaalsContact CD-CZ 3.42Å; Q272-F330 HydrophobicContact CG-CE2 4.14Å; Q272-F330 HydrophobicContact CG-CZ 3.77Å; I276-F330 HydrophobicContact CD1-CD2 4.26Å; I276-F330 HydrophobicContact CD1-CE1 3.91Å; I276-F330 HydrophobicContact CD1-CE2 3.39Å; I276-F330 HydrophobicContact CD1-CZ 3.16Å; I276-F330 HydrophobicContact CG1-CD2 4.19Å; I276-F330 HydrophobicContact CG1-CE2 3.44Å; I276-F330 VanDerWaalsContact CG1-CE2 3.44Å; I276-F330 HydrophobicContact CG1-CZ 3.79Å; Y326-F330 HydrophobicContact CE1-CE2 4.42Å; M327-F330 HydrophobicContact CE-CD2 4.3Å; M327-F330 PolarHBondContact O-N 2.83Å; M327-F330 VanDerWaalsContact O-N 3.12Å; L328-F330 PolarHBondContact O-N 2.61Å; L328-F330 VanDerWaalsContact O-N 3.16Å; F330-N332 PolarHBondContact O-N 3.1Å
331V57.2Low61.7Low100 Ų10065.8 Ų65.861%0.60635%0.348SS*.SBendtrans-76.586.7170.4-176.60000105.4M327 L328 P333M327-V331 PolarHBondContact O-N 3.26Å; L328-V331 PolarHBondContact O-N 3.45Å; V331-P333 VanDerWaalsContact O-CD 3.24Å; V331-P333 WeakPolarHBondContact O-CD 3.41Å
332N47.5Very low62.6Low136 Ų13667 Ų6773%0.72736%0.358SS*.  trans-50.6116179-161.622.5000107.6F330 G334F330-N332 PolarHBondContact O-N 3.1Å; N332-G334 PolarHBondContact O-N 3.32Å
333P53.9Low63.3Low28 Ų2868.4 Ų68.418%0.18236%0.364CS..  trans-56.6135.4162.825.6-31.4000105.7V331 Q340 F343V331-P333 VanDerWaalsContact O-CD 3.24Å; V331-P333 WeakPolarHBondContact O-CD 3.41Å; P333-Q340 HydrophobicContact CB-CG 4.28Å; P333-Q340 HydrophobicContact CG-CG 3.88Å; P333-F343 HydrophobicContact CG-CB 4.31Å; P333-F343 HydrophobicContact CG-CG 4.21Å
334G54.6Low63.8Low42 Ų4272.2 Ų72.243%0.43338%0.383SS..  trans-53.6178.2177.500000112.1N332 D336N332-G334 PolarHBondContact O-N 3.32Å; G334-D336 PolarHBondContact O-N 3.2Å
335E59.6Low64.4Low191 Ų19173.2 Ų73.289%0.89339%0.385SS*.SBendtrans-58.2-1.9179.9-65.6175175.300114.3D337E335-D337 PolarHBondContact O-N 3.05Å
336D69Low65Low105 Ų10578 Ų7856%0.56141%0.405SS*.  trans-68.1114.4175.9-58.3-41.2000112.9G334 I338 S339 Q340G334-D336 PolarHBondContact O-N 3.2Å; D336-I338 VanDerWaalsContact C-N 3.26Å; D336-I338 PolarHBondContact O-N 3.2Å; D336-S339 WeakPolarHBondContact O-CB 3.24Å; D336-S339 PolarHBondContact O-N 3.22Å; D336-S339 VanDerWaalsContact O-N 3.09Å; D336-Q340 PolarHBondContact O-N 3.19Å
337D68.4Low65.4Low54 Ų5477.5 Ų77.529%0.28941%0.405SS..Hα-helixtrans-51.8-39.4176.3-75.3-39.6000113K111 Y112 E335 Q340 I341K111-D337 VanDerWaalsContact NZ-CG 3.31Å; K111-D337 IonicContact NZ-OD1 3.67Å; K111-D337 PolarHBondContact NZ-OD1 2.95Å; K111-D337 IonicContact NZ-OD2 3.51Å; K111-D337 PolarHBondContact NZ-OD2 3.26Å; Y112-D337 HydrophobicContact CE2-CB 4.37Å; Y112-D337 WeakPolarHBondContact OH-CB 3.22Å; E335-D337 PolarHBondContact O-N 3.05Å; D337-Q340 PolarHBondContact O-N 3.34Å; D337-I341 WeakPolarHBondContact O-CD1 3.4Å; D337-I341 VanDerWaalsContact O-CG1 3.26Å; D337-I341 WeakPolarHBondContact O-CG1 3.47Å; D337-I341 PolarHBondContact O-N 3.49Å; D337-I341 VanDerWaalsContact O-N 3.15Å
338I74.2Confident66.3Low131 Ų13176.9 Ų76.967%0.67240%0.404SS*.Hα-helixtrans-68.2-41.2-179-62.4167.2000111.1D336 Q340 I341 V342D336-I338 VanDerWaalsContact C-N 3.26Å; D336-I338 PolarHBondContact O-N 3.2Å; I338-Q340 VanDerWaalsContact C-N 3.32Å; I338-Q340 PolarHBondContact O-N 3.1Å; I338-I341 PolarHBondContact O-N 3.2Å; I338-V342 HydrophobicContact CG2-CG2 4.33Å; I338-V342 WeakPolarHBondContact O-CG2 3.27Å; I338-V342 PolarHBondContact O-N 3.45Å
339S71.8Confident67.5Low50 Ų5078 Ų7835%0.3541%0.406SS..Hα-helixtrans-63.9-40.8-179.9-64.40000110.7D336 F343D336-S339 WeakPolarHBondContact O-CB 3.24Å; D336-S339 PolarHBondContact O-N 3.22Å; D336-S339 VanDerWaalsContact O-N 3.09Å; S339-F343 WeakPolarHBondContact O-CB 3.34Å; S339-F343 PolarHBondContact O-N 3.4Å
340Q70.3Confident68.6Low69 Ų6974.5 Ų74.532%0.32239%0.392SS..Hα-helixtrans-63.4-42.9174.6-65.4-1759.600112.4P333 D336 D337 I338 F343 I344P333-Q340 HydrophobicContact CB-CG 4.28Å; P333-Q340 HydrophobicContact CG-CG 3.88Å; D336-Q340 PolarHBondContact O-N 3.19Å; D337-Q340 PolarHBondContact O-N 3.34Å; I338-Q340 VanDerWaalsContact C-N 3.32Å; I338-Q340 PolarHBondContact O-N 3.1Å; Q340-F343 WeakPolarHBondContact O-CB 3.29Å; Q340-F343 PolarHBondContact O-N 2.81Å; Q340-I344 WeakPolarHBondContact O-CD1 3.34Å; Q340-I344 VanDerWaalsContact O-CG1 3.23Å; Q340-I344 WeakPolarHBondContact O-CG1 3.5Å; Q340-I344 PolarHBondContact O-N 3.27Å
341I72.4Confident69.9Low31 Ų3172.4 Ų72.416%0.15938%0.384CS..Hα-helixtrans-63.6-51.5178.7-66.7164.5000110.8Y112 D337 I338 F343 I344 Y345Y112-I341 HydrophobicContact CD1-CD1 4.2Å; Y112-I341 HydrophobicContact CD2-CD1 3.8Å; Y112-I341 HydrophobicContact CD2-CG1 3.94Å; Y112-I341 HydrophobicContact CE1-CD1 4.04Å; Y112-I341 HydrophobicContact CE2-CD1 3.64Å; Y112-I341 HydrophobicContact CE2-CG1 4.08Å; Y112-I341 HydrophobicContact CG-CD1 4.09Å; Y112-I341 HydrophobicContact CG-CG1 4.45Å; D337-I341 WeakPolarHBondContact O-CD1 3.4Å; D337-I341 VanDerWaalsContact O-CG1 3.26Å; D337-I341 WeakPolarHBondContact O-CG1 3.47Å; D337-I341 PolarHBondContact O-N 3.49Å; D337-I341 VanDerWaalsContact O-N 3.15Å; I338-I341 PolarHBondContact O-N 3.2Å; I341-F343 PolarHBondContact O-N 2.95Å; I341-I344 PolarHBondContact O-N 2.96Å; I341-Y345 HydrophobicContact CG2-CD2 3.66Å; I341-Y345 HydrophobicContact CG2-CE2 3.55Å; I341-Y345 VanDerWaalsContact O-CD2 3.24Å; I341-Y345 WeakPolarHBondContact O-CD2 3.24Å; I341-Y345 PolarHBondContact O-N 3.44Å
342V75.5Confident71.2Confident89 Ų8967.7 Ų67.754%0.53936%0.355SS..Hα-helixtrans-59-42179.3172.10000110.5I338 Y345 F346I338-V342 HydrophobicContact CG2-CG2 4.33Å; I338-V342 WeakPolarHBondContact O-CG2 3.27Å; I338-V342 PolarHBondContact O-N 3.45Å; V342-Y345 PolarHBondContact O-N 3.19Å; V342-F346 VanDerWaalsContact O-CB 3.3Å; V342-F346 WeakPolarHBondContact O-CB 3.5Å; V342-F346 PolarHBondContact O-N 3.47Å
343F73.3Confident73.1Confident44 Ų4462.7 Ų62.719%0.19333%0.327CS..Hα-helixtrans-57.2-49.5176.3-179.4-89.9000112.3L328 P333 S339 Q340 I341 Y345 F346 N347L328-F343 VanDerWaalsContact C-CE2 3.44Å; L328-F343 HydrophobicContact CB-CE2 3.7Å; L328-F343 HydrophobicContact CB-CZ 4.16Å; L328-F343 WeakPolarHBondContact O-CE2 3.18Å; L328-F343 WeakPolarHBondContact O-CZ 3.48Å; P333-F343 HydrophobicContact CG-CB 4.31Å; P333-F343 HydrophobicContact CG-CG 4.21Å; S339-F343 WeakPolarHBondContact O-CB 3.34Å; S339-F343 PolarHBondContact O-N 3.4Å; Q340-F343 WeakPolarHBondContact O-CB 3.29Å; Q340-F343 PolarHBondContact O-N 2.81Å; I341-F343 PolarHBondContact O-N 2.95Å; F343-Y345 PolarHBondContact O-N 3.45Å; F343-F346 PolarHBondContact O-N 3.42Å; F343-N347 VanDerWaalsContact O-CB 3.25Å; F343-N347 WeakPolarHBondContact O-CB 3.29Å; F343-N347 PolarHBondContact O-N 2.91Å
344I71.8Confident74.6Confident80 Ų8061.6 Ų61.641%0.4132%0.319SS..Hα-helixtrans-61.3-45.5179.5-69.5162.9000110.8A119 Q340 I341 S348A119-I344 HydrophobicContact CB-CG2 4.39Å; Q340-I344 WeakPolarHBondContact O-CD1 3.34Å; Q340-I344 VanDerWaalsContact O-CG1 3.23Å; Q340-I344 WeakPolarHBondContact O-CG1 3.5Å; Q340-I344 PolarHBondContact O-N 3.27Å; I341-I344 PolarHBondContact O-N 2.96Å; I344-S348 WeakPolarHBondContact O-CB 3.29Å; I344-S348 PolarHBondContact O-N 2.73Å; I344-S348 PolarHBondContact O-OG 2.62Å
345Y77.6Confident76.2Confident56 Ų5659.6 Ų59.622%0.2230%0.298CS..Hα-helixtrans-63.6-48.9178.6-83.9-70.7000112.6H115 I118 A119 I122 I341 V342 F343 S348 F349H115-Y345 VanDerWaalsContact CA-OH 3.23Å; H115-Y345 WeakPolarHBondContact CA-OH 3.42Å; H115-Y345 HydrophobicContact CB-CE2 4.02Å; H115-Y345 WeakPolarHBondContact CB-OH 3.39Å; H115-Y345 AromaticContact ND1-CE2 3.75Å; H115-Y345 AromaticContact ND1-CZ 3.83Å; H115-Y345 PolarHBondContact ND1-OH 3.44Å; H115-Y345 PolarHBondContact O-OH 3.38Å; I118-Y345 HydrophobicContact CB-CE1 4.42Å; I118-Y345 HydrophobicContact CG2-CE1 4.02Å; A119-Y345 HydrophobicContact CB-CD1 4.07Å; A119-Y345 HydrophobicContact CB-CE1 3.9Å; I122-Y345 HydrophobicContact CD1-CD1 4.17Å; I122-Y345 HydrophobicContact CD1-CE1 4.08Å; I341-Y345 HydrophobicContact CG2-CD2 3.66Å; I341-Y345 HydrophobicContact CG2-CE2 3.55Å; I341-Y345 VanDerWaalsContact O-CD2 3.24Å; I341-Y345 WeakPolarHBondContact O-CD2 3.24Å; I341-Y345 PolarHBondContact O-N 3.44Å; V342-Y345 PolarHBondContact O-N 3.19Å; F343-Y345 PolarHBondContact O-N 3.45Å; Y345-S348 PolarHBondContact O-N 3.36Å; Y345-F349 WeakPolarHBondContact O-CB 3.11Å; Y345-F349 PolarHBondContact O-N 3.17Å
346F77.5Confident77.5Confident111 Ų11153.5 Ų53.549%0.48727%0.269SS..Hα-helixtrans-62.1-45.9-178.7-174.8-110.8000111.3L328 V342 F343 F349 L350L328-F346 HydrophobicContact CD1-CD1 4.17Å; L328-F346 HydrophobicContact CD1-CE1 3.82Å; V342-F346 VanDerWaalsContact O-CB 3.3Å; V342-F346 WeakPolarHBondContact O-CB 3.5Å; V342-F346 PolarHBondContact O-N 3.47Å; F343-F346 PolarHBondContact O-N 3.42Å; F346-F349 PolarHBondContact O-N 2.87Å; F346-L350 HydrophobicContact CD1-CD1 3.47Å; F346-L350 VanDerWaalsContact CD1-CD1 3.47Å; F346-L350 HydrophobicContact CD2-CD1 4.03Å; F346-L350 HydrophobicContact CE1-CD1 3.18Å; F346-L350 HydrophobicContact CE2-CD1 3.77Å; F346-L350 HydrophobicContact CE2-CG 4.47Å; F346-L350 HydrophobicContact CG-CD1 3.9Å; F346-L350 HydrophobicContact CZ-CD1 3.36Å; F346-L350 HydrophobicContact CZ-CG 4.45Å; F346-L350 WeakPolarHBondContact O-CD1 3.49Å; F346-L350 VanDerWaalsContact O-CG 3.27Å; F346-L350 WeakPolarHBondContact O-CG 3.37Å; F346-L350 PolarHBondContact O-N 3.25Å
347N74.3Confident78.4Confident27 Ų2750.8 Ų50.814%0.14425%0.253CS..Hα-helixtrans-64.3-45.1177.2-175.244.1000111.9F343 F349 L350 Q351F343-N347 VanDerWaalsContact O-CB 3.25Å; F343-N347 WeakPolarHBondContact O-CB 3.29Å; F343-N347 PolarHBondContact O-N 2.91Å; N347-F349 VanDerWaalsContact C-N 3.33Å; N347-F349 PolarHBondContact O-N 2.96Å; N347-L350 PolarHBondContact O-N 3.32Å; N347-Q351 VanDerWaalsContact O-CB 3.26Å; N347-Q351 WeakPolarHBondContact O-CB 3.36Å; N347-Q351 PolarHBondContact O-N 2.94Å
348S77.4Confident79.1Confident21 Ų2148.4 Ų48.415%0.14724%0.24CC..Hα-helixtrans-59.1-45.1177.5-60.30000111.4I344 Y345 A352I344-S348 WeakPolarHBondContact O-CB 3.29Å; I344-S348 PolarHBondContact O-N 2.73Å; I344-S348 PolarHBondContact O-OG 2.62Å; Y345-S348 PolarHBondContact O-N 3.36Å; S348-A352 VanDerWaalsContact O-CB 3.23Å; S348-A352 WeakPolarHBondContact O-CB 3.04Å; S348-A352 PolarHBondContact O-N 3.24Å
349F82.8Confident79.7Confident83 Ų8342.2 Ų42.236%0.36421%0.208SC..Hα-helixtrans-60.9-52.6176.8176-96.7000111.6Y345 F346 N347 Q351 A352 F353Y345-F349 WeakPolarHBondContact O-CB 3.11Å; Y345-F349 PolarHBondContact O-N 3.17Å; F346-F349 PolarHBondContact O-N 2.87Å; N347-F349 VanDerWaalsContact C-N 3.33Å; N347-F349 PolarHBondContact O-N 2.96Å; F349-Q351 VanDerWaalsContact C-N 3.33Å; F349-Q351 PolarHBondContact O-N 2.95Å; F349-A352 PolarHBondContact O-N 2.99Å; F349-F353 AromaticContact CD2-CD2 3.47Å; F349-F353 HydrophobicContact CD2-CD2 3.47Å; F349-F353 VanDerWaalsContact CD2-CD2 3.47Å; F349-F353 AromaticContact CD2-CE2 3.53Å; F349-F353 HydrophobicContact CD2-CE2 3.53Å; F349-F353 AromaticContact CE2-CD2 3.38Å; F349-F353 HydrophobicContact CE2-CD2 3.38Å; F349-F353 AromaticContact CE2-CE2 3.42Å; F349-F353 HydrophobicContact CE2-CE2 3.42Å; F349-F353 VanDerWaalsContact CE2-CE2 3.42Å; F349-F353 HydrophobicContact CE2-CG 4.17Å; F349-F353 HydrophobicContact CE2-CZ 4.21Å; F349-F353 HydrophobicContact CG-CD2 4.11Å; F349-F353 AromaticContact CZ-CD2 3.97Å; F349-F353 HydrophobicContact CZ-CD2 3.97Å; F349-F353 HydrophobicContact CZ-CE2 4.36Å; F349-F353 HydrophobicContact CZ-CG 4.36Å; F349-F353 VanDerWaalsContact O-CD2 3.32Å; F349-F353 WeakPolarHBondContact O-CD2 3.28Å; F349-F353 PolarHBondContact O-N 2.04Å
350L80.4Confident80.3Confident27 Ų2741.2 Ų41.214%0.14120%0.2CC..Hα-helixtrans-65.9-37.8-175.5-67163.9000112.5T325 F346 N347 Q354T325-L350 HydrophobicContact CG2-CB 3.69Å; T325-L350 HydrophobicContact CG2-CD1 3.51Å; T325-L350 HydrophobicContact CG2-CG 4.09Å; F346-L350 HydrophobicContact CD1-CD1 3.47Å; F346-L350 VanDerWaalsContact CD1-CD1 3.47Å; F346-L350 HydrophobicContact CD2-CD1 4.03Å; F346-L350 HydrophobicContact CE1-CD1 3.18Å; F346-L350 HydrophobicContact CE2-CD1 3.77Å; F346-L350 HydrophobicContact CE2-CG 4.47Å; F346-L350 HydrophobicContact CG-CD1 3.9Å; F346-L350 HydrophobicContact CZ-CD1 3.36Å; F346-L350 HydrophobicContact CZ-CG 4.45Å; F346-L350 WeakPolarHBondContact O-CD1 3.49Å; F346-L350 VanDerWaalsContact O-CG 3.27Å; F346-L350 WeakPolarHBondContact O-CG 3.37Å; F346-L350 PolarHBondContact O-N 3.25Å; N347-L350 PolarHBondContact O-N 3.32Å; L350-Q354 WeakPolarHBondContact O-CA 3.41Å; L350-Q354 VanDerWaalsContact O-CB 3.3Å; L350-Q354 WeakPolarHBondContact O-CB 3.26Å; L350-Q354 PolarHBondContact O-N 3.43Å
351Q78.1Confident80.9Confident46 Ų4640.3 Ų40.322%0.21520%0.195CC..Hα-helixtrans-67.9-39.9177.9-169.9171.528.700111.7N347 F349 Q354N347-Q351 VanDerWaalsContact O-CB 3.26Å; N347-Q351 WeakPolarHBondContact O-CB 3.36Å; N347-Q351 PolarHBondContact O-N 2.94Å; F349-Q351 VanDerWaalsContact C-N 3.33Å; F349-Q351 PolarHBondContact O-N 2.95Å; Q351-Q354 WeakPolarHBondContact O-CB 3.49Å
352A85.4Confident81.1Confident0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-67.7-47.1178.700000112.3N123 S130 S348 F349 Q354N123-A352 WeakPolarHBondContact OD1-CB 3.33Å; S130-A352 WeakPolarHBondContact CB-O 3.46Å; S348-A352 VanDerWaalsContact O-CB 3.23Å; S348-A352 WeakPolarHBondContact O-CB 3.04Å; S348-A352 PolarHBondContact O-N 3.24Å; F349-A352 PolarHBondContact O-N 2.99Å; A352-Q354 VanDerWaalsContact C-N 3.29Å; A352-Q354 PolarHBondContact O-N 2.88Å
353F86.3Confident81.4Confident32 Ų3235.7 Ų35.714%0.1417%0.166CC..Hα-helixtrans-850.8-178.7-72.5-84.6000113.6I129 F349 G355 F356 F357I129-F353 HydrophobicContact CB-CE1 4.39Å; I129-F353 HydrophobicContact CD1-CE1 3.95Å; I129-F353 HydrophobicContact CD1-CZ 4.19Å; I129-F353 HydrophobicContact CG2-CE1 4.31Å; F349-F353 AromaticContact CD2-CD2 3.47Å; F349-F353 HydrophobicContact CD2-CD2 3.47Å; F349-F353 VanDerWaalsContact CD2-CD2 3.47Å; F349-F353 AromaticContact CD2-CE2 3.53Å; F349-F353 HydrophobicContact CD2-CE2 3.53Å; F349-F353 AromaticContact CE2-CD2 3.38Å; F349-F353 HydrophobicContact CE2-CD2 3.38Å; F349-F353 AromaticContact CE2-CE2 3.42Å; F349-F353 HydrophobicContact CE2-CE2 3.42Å; F349-F353 VanDerWaalsContact CE2-CE2 3.42Å; F349-F353 HydrophobicContact CE2-CG 4.17Å; F349-F353 HydrophobicContact CE2-CZ 4.21Å; F349-F353 HydrophobicContact CG-CD2 4.11Å; F349-F353 AromaticContact CZ-CD2 3.97Å; F349-F353 HydrophobicContact CZ-CD2 3.97Å; F349-F353 HydrophobicContact CZ-CE2 4.36Å; F349-F353 HydrophobicContact CZ-CG 4.36Å; F349-F353 VanDerWaalsContact O-CD2 3.32Å; F349-F353 WeakPolarHBondContact O-CD2 3.28Å; F349-F353 PolarHBondContact O-N 2.04Å; F353-G355 PolarHBondContact O-N 2.72Å; F353-F356 HydrophobicContact CD1-CB 4.35Å; F353-F356 HydrophobicContact CD1-CD1 4.25Å; F353-F356 HydrophobicContact CD1-CG 4.44Å; F353-F356 WeakPolarHBondContact O-CB 3.47Å; F353-F356 PolarHBondContact O-N 3.46Å; F353-F356 VanDerWaalsContact O-N 3.09Å; F353-F357 HydrophobicContact CB-CD2 4.07Å; F353-F357 HydrophobicContact CB-CE2 3.59Å; F353-F357 HydrophobicContact CB-CZ 4.25Å; F353-F357 WeakPolarHBondContact O-CD2 3.5Å; F353-F357 PolarHBondContact O-N 3.11Å
354Q85.9Confident81.9Confident4 Ų436.9 Ų36.92%0.01917%0.171CC..Hα-helixtrans-53.5-52.6-177-162.1-173.6-12.800111.8F162 M205 L322 L350 Q351 A352 F356 F357 V358F162-Q354 HydrophobicContact CE1-CB 4.23Å; F162-Q354 HydrophobicContact CE1-CG 3.81Å; F162-Q354 HydrophobicContact CZ-CG 4.13Å; M205-Q354 PolarHBondContact SD-NE2 2.72Å; L322-Q354 HydrophobicContact CB-CG 3.64Å; L322-Q354 HydrophobicContact CD1-CG 4.34Å; L322-Q354 HydrophobicContact CD2-CB 4.18Å; L322-Q354 HydrophobicContact CD2-CG 3.43Å; L322-Q354 VanDerWaalsContact CD2-CG 3.43Å; L322-Q354 HydrophobicContact CG-CG 3.96Å; L322-Q354 PolarHBondContact O-NE2 3.48Å; L350-Q354 WeakPolarHBondContact O-CA 3.41Å; L350-Q354 VanDerWaalsContact O-CB 3.3Å; L350-Q354 WeakPolarHBondContact O-CB 3.26Å; L350-Q354 PolarHBondContact O-N 3.43Å; Q351-Q354 WeakPolarHBondContact O-CB 3.49Å; A352-Q354 VanDerWaalsContact C-N 3.29Å; A352-Q354 PolarHBondContact O-N 2.88Å; Q354-F356 VanDerWaalsContact C-N 3.31Å; Q354-F356 PolarHBondContact O-N 3.01Å; Q354-F357 PolarHBondContact O-N 2.86Å; Q354-V358 VanDerWaalsContact O-CG2 3.28Å; Q354-V358 WeakPolarHBondContact O-CG2 3.38Å; Q354-V358 PolarHBondContact O-N 2Å; Q354-V358 VanDerWaalsContact O-N 3.15Å
355G87.6Confident82.3Confident0 Ų037.6 Ų37.60%018%0.175CC..Hα-helixtrans-68.9-29.3-179.600000113.2S130 F353 S359S130-G355 VanDerWaalsContact OG-C 3.28Å; S130-G355 WeakPolarHBondContact OG-CA 2.96Å; F353-G355 PolarHBondContact O-N 2.72Å; G355-S359 PolarHBondContact O-N 3.45Å
356F88.8Confident82.4Confident64 Ų6436.4 Ų36.428%0.28117%0.173SC..Hα-helixtrans-61.7-53172.7170.5-101.6000110.6I129 S130 A133 F353 Q354 V358 S359 V360I129-F356 HydrophobicContact CG2-CD2 3.93Å; I129-F356 HydrophobicContact CG2-CE2 4.34Å; I129-F356 HydrophobicContact CG2-CG 4.43Å; S130-F356 PolarHBondContact OG-N 3.24Å; S130-F356 VanDerWaalsContact OG-N 3.12Å; A133-F356 HydrophobicContact CB-CD2 3.82Å; A133-F356 HydrophobicContact CB-CE2 4.47Å; F353-F356 HydrophobicContact CD1-CB 4.35Å; F353-F356 HydrophobicContact CD1-CD1 4.25Å; F353-F356 HydrophobicContact CD1-CG 4.44Å; F353-F356 WeakPolarHBondContact O-CB 3.47Å; F353-F356 PolarHBondContact O-N 3.46Å; F353-F356 VanDerWaalsContact O-N 3.09Å; Q354-F356 VanDerWaalsContact C-N 3.31Å; Q354-F356 PolarHBondContact O-N 3.01Å; F356-V358 VanDerWaalsContact C-N 3.32Å; F356-V358 PolarHBondContact O-N 3Å; F356-S359 PolarHBondContact O-N 3.32Å; F356-S359 VanDerWaalsContact O-N 3.14Å; F356-S359 PolarHBondContact O-OG 2.91Å; F356-V360 HydrophobicContact CD1-CG2 4.46Å; F356-V360 HydrophobicContact CD2-CG2 4.29Å; F356-V360 HydrophobicContact CE1-CG2 4.05Å; F356-V360 HydrophobicContact CE2-CG2 3.86Å; F356-V360 HydrophobicContact CZ-CG2 3.73Å; F356-V360 WeakPolarHBondContact O-CG2 2.98Å; F356-V360 PolarHBondContact O-N 3.23Å
357F85.9Confident82.4Confident48 Ų4833.4 Ų33.421%0.21117%0.173CC..Hα-helixtrans-59.2-43178.7-66.2-57000112L322 F353 Q354 S359 V360 F361L322-F357 HydrophobicContact CD2-CB 4.46Å; F353-F357 HydrophobicContact CB-CD2 4.07Å; F353-F357 HydrophobicContact CB-CE2 3.59Å; F353-F357 HydrophobicContact CB-CZ 4.25Å; F353-F357 WeakPolarHBondContact O-CD2 3.5Å; F353-F357 PolarHBondContact O-N 3.11Å; Q354-F357 PolarHBondContact O-N 2.86Å; F357-S359 PolarHBondContact O-N 3.16Å; F357-V360 PolarHBondContact O-N 3.38Å; F357-F361 HydrophobicContact CB-CD2 4.39Å; F357-F361 HydrophobicContact CB-CE2 4.27Å; F357-F361 HydrophobicContact CD1-CE2 4.45Å; F357-F361 WeakPolarHBondContact O-CD2 3.47Å; F357-F361 PolarHBondContact O-N 3.38Å
358V84.5Confident82.8Confident4 Ų436.1 Ų36.12%0.02419%0.185CC..Hα-helixtrans-55-49.3174.6171.60000111.2L158 I159 F162 L322 Q354 F356 V360 F361 Y362L158-V358 HydrophobicContact CD2-CG1 4.44Å; I159-V358 HydrophobicContact CG1-CG1 4.46Å; F162-V358 HydrophobicContact CD2-CG1 4.2Å; F162-V358 HydrophobicContact CD2-CG2 4.5Å; F162-V358 HydrophobicContact CE2-CB 4.41Å; F162-V358 HydrophobicContact CE2-CG1 4.09Å; F162-V358 HydrophobicContact CE2-CG2 3.8Å; F162-V358 HydrophobicContact CZ-CG2 3.93Å; L322-V358 HydrophobicContact CD1-CG2 3.27Å; Q354-V358 VanDerWaalsContact O-CG2 3.28Å; Q354-V358 WeakPolarHBondContact O-CG2 3.38Å; Q354-V358 PolarHBondContact O-N 2Å; Q354-V358 VanDerWaalsContact O-N 3.15Å; F356-V358 VanDerWaalsContact C-N 3.32Å; F356-V358 PolarHBondContact O-N 3Å; V358-V360 VanDerWaalsContact C-N 3.33Å; V358-V360 PolarHBondContact O-N 3.49Å; V358-F361 PolarHBondContact O-N 3.26Å; V358-Y362 HydrophobicContact CB-CD2 4.42Å; V358-Y362 HydrophobicContact CG1-CD2 3.66Å; V358-Y362 HydrophobicContact CG1-CE2 4.12Å; V358-Y362 WeakPolarHBondContact O-CB 3.45Å; V358-Y362 WeakPolarHBondContact O-CD2 3.49Å; V358-Y362 PolarHBondContact O-N 2.84Å
359S86.3Confident83Confident0 Ų035.3 Ų35.30%018%0.179CC..Hα-helixtrans-63.1-38.8179.873.60000112.5A133 G355 F356 F357 C363 F364A133-S359 WeakPolarHBondContact CB-OG 3.45Å; G355-S359 PolarHBondContact O-N 3.45Å; F356-S359 PolarHBondContact O-N 3.32Å; F356-S359 VanDerWaalsContact O-N 3.14Å; F356-S359 PolarHBondContact O-OG 2.91Å; F357-S359 PolarHBondContact O-N 3.16Å; S359-C363 WeakPolarHBondContact O-CA 3.47Å; S359-C363 WeakPolarHBondContact O-CB 3.36Å; S359-C363 PolarHBondContact O-N 3.4Å; S359-F364 PolarHBondContact O-N 3.1Å; S359-F364 VanDerWaalsContact O-N 3.11Å
360V84.6Confident83.1Confident30 Ų3038 Ų3818%0.18219%0.187CC..Iπ-helixtrans-65-50.3178.7171.80000110.7F356 F357 V358 F364 L365F356-V360 HydrophobicContact CD1-CG2 4.46Å; F356-V360 HydrophobicContact CD2-CG2 4.29Å; F356-V360 HydrophobicContact CE1-CG2 4.05Å; F356-V360 HydrophobicContact CE2-CG2 3.86Å; F356-V360 HydrophobicContact CZ-CG2 3.73Å; F356-V360 WeakPolarHBondContact O-CG2 2.98Å; F356-V360 PolarHBondContact O-N 3.23Å; F357-V360 PolarHBondContact O-N 3.38Å; V358-V360 VanDerWaalsContact C-N 3.33Å; V358-V360 PolarHBondContact O-N 3.49Å; V360-F364 HydrophobicContact CB-CD2 4.5Å; V360-F364 HydrophobicContact CG2-CD2 4.03Å; V360-F364 PolarHBondContact O-N 3.45Å; V360-L365 HydrophobicContact CG1-CD1 3.65Å; V360-L365 HydrophobicContact CG1-CG 3.84Å; V360-L365 WeakPolarHBondContact O-CB 3.37Å; V360-L365 WeakPolarHBondContact O-CG 3.39Å; V360-L365 PolarHBondContact O-N 2.99Å
361F81.9Confident83.3Confident50 Ų5040.3 Ų40.322%0.21921%0.205CC..Iπ-helixtrans-74.3-44.7-175.9-69.2-63.5000113.4T315 L318 F357 V358 L365T315-F361 HydrophobicContact CG2-CB 4.47Å; T315-F361 HydrophobicContact CG2-CD1 3.23Å; T315-F361 HydrophobicContact CG2-CE1 3.5Å; T315-F361 HydrophobicContact CG2-CG 3.88Å; T315-F361 HydrophobicContact CG2-CZ 4.36Å; T315-F361 WeakPolarHBondContact OG1-CE1 3.04Å; L318-F361 HydrophobicContact CD2-CD2 4.4Å; L318-F361 HydrophobicContact CD2-CE2 3.37Å; L318-F361 HydrophobicContact CD2-CZ 3.7Å; L318-F361 HydrophobicContact CG-CE2 4.24Å; F357-F361 HydrophobicContact CB-CD2 4.39Å; F357-F361 HydrophobicContact CB-CE2 4.27Å; F357-F361 HydrophobicContact CD1-CE2 4.45Å; F357-F361 WeakPolarHBondContact O-CD2 3.47Å; F357-F361 PolarHBondContact O-N 3.38Å; V358-F361 PolarHBondContact O-N 3.26Å; F361-L365 HydrophobicContact CD1-CD1 3.75Å; F361-L365 HydrophobicContact CE1-CD1 3.84Å
362Y77.1Confident83.7Confident23 Ų2339 Ų399%0.0920%0.203CC..Iπ-helixtrans-83.8-27-175.1-68.5-55.3000114.3H155 L158 E208 L319 V358 N366H155-Y362 AromaticContact CE1-CD1 3.51Å; H155-Y362 AromaticContact CE1-CE1 3.38Å; H155-Y362 WeakPolarHBondContact CE1-CE1 3.2Å; H155-Y362 AromaticContact CE1-CZ 3.99Å; H155-Y362 AromaticContact ND1-CD1 3.79Å; H155-Y362 AromaticContact ND1-CE1 3.85Å; L158-Y362 HydrophobicContact CD2-CE2 4.19Å; E208-Y362 VanDerWaalsContact CD-CZ 3.43Å; E208-Y362 WeakPolarHBondContact OE1-CE2 3.37Å; E208-Y362 PolarHBondContact OE1-OH 2.92Å; E208-Y362 PolarHBondContact OE2-OH 3.33Å; L319-Y362 HydrophobicContact CD1-CE1 3.54Å; L319-Y362 HydrophobicContact CD1-CE2 4.31Å; L319-Y362 VanDerWaalsContact CD1-CZ 3.4Å; L319-Y362 WeakPolarHBondContact CD1-OH 3.46Å; L319-Y362 WeakPolarHBondContact CD2-OH 3.39Å; L319-Y362 HydrophobicContact CG-CE1 4.35Å; L319-Y362 WeakPolarHBondContact CG-OH 3.47Å; V358-Y362 HydrophobicContact CB-CD2 4.42Å; V358-Y362 HydrophobicContact CG1-CD2 3.66Å; V358-Y362 HydrophobicContact CG1-CE2 4.12Å; V358-Y362 WeakPolarHBondContact O-CB 3.45Å; V358-Y362 WeakPolarHBondContact O-CD2 3.49Å; V358-Y362 PolarHBondContact O-N 2.84Å; Y362-N366 VanDerWaalsContact O-CB 3.23Å; Y362-N366 WeakPolarHBondContact O-CB 3.48Å; Y362-N366 PolarHBondContact O-ND2 3.17Å; Y362-N366 VanDerWaalsContact O-ND2 3.1Å
363C82.3Confident83.7Confident0 Ų041.6 Ų41.60%022%0.218CC..Iπ-helixtrans-108.9-63.3-178.7-167.10000112.3A137 F141 S359 N366 V369A137-C363 HydrophobicContact CB-CB 3.74Å; F141-C363 HydrophobicContact CE2-CB 3.69Å; F141-C363 VanDerWaalsContact CE2-SG 3.59Å; F141-C363 HydrophobicContact CZ-CB 4.1Å; S359-C363 WeakPolarHBondContact O-CA 3.47Å; S359-C363 WeakPolarHBondContact O-CB 3.36Å; S359-C363 PolarHBondContact O-N 3.4Å; C363-N366 PolarHBondContact O-N 3.01Å; C363-V369 WeakPolarHBondContact O-CB 3.3Å
364F83.6Confident83.7Confident69 Ų6947.2 Ų47.230%0.30324%0.239SC..Iπ-helixtrans-74-38.7-167.5-58.5-41000114.1A133 V136 A137 L140 S359 V360 N366 R370A133-F364 HydrophobicContact CB-CE2 4.3Å; V136-F364 HydrophobicContact CB-CZ 4.15Å; V136-F364 HydrophobicContact CG1-CE1 3.86Å; V136-F364 HydrophobicContact CG1-CZ 3.95Å; A137-F364 HydrophobicContact CB-CZ 4.45Å; L140-F364 HydrophobicContact CD1-CD1 4.07Å; L140-F364 HydrophobicContact CD1-CE1 3.74Å; S359-F364 PolarHBondContact O-N 3.1Å; S359-F364 VanDerWaalsContact O-N 3.11Å; V360-F364 HydrophobicContact CB-CD2 4.5Å; V360-F364 HydrophobicContact CG2-CD2 4.03Å; V360-F364 PolarHBondContact O-N 3.45Å; F364-N366 VanDerWaalsContact C-N 3.35Å; F364-R370 VanDerWaalsContact O-CD 3.29Å; F364-R370 WeakPolarHBondContact O-CD 3.43Å; F364-R370 VanDerWaalsContact O-CG 3.28Å; F364-R370 WeakPolarHBondContact O-CG 3.3Å
365L79.8Confident83.7Confident94 Ų9453.4 Ų53.449%0.49227%0.265SS..SBendtrans-87.1-7.8178.1-64.1-179.1000112.9V360 F361 G367V360-L365 HydrophobicContact CG1-CD1 3.65Å; V360-L365 HydrophobicContact CG1-CG 3.84Å; V360-L365 WeakPolarHBondContact O-CB 3.37Å; V360-L365 WeakPolarHBondContact O-CG 3.39Å; V360-L365 PolarHBondContact O-N 2.99Å; F361-L365 HydrophobicContact CD1-CD1 3.75Å; F361-L365 HydrophobicContact CE1-CD1 3.84Å; L365-G367 PolarHBondContact O-N 3.11Å
366N80.1Confident83.6Confident31 Ų3160.7 Ų60.717%0.16629%0.293CS..  trans-69.2117.9-179.3-172.3-22.7000110.9Y362 C363 F364 E368 V369 R370Y362-N366 VanDerWaalsContact O-CB 3.23Å; Y362-N366 WeakPolarHBondContact O-CB 3.48Å; Y362-N366 PolarHBondContact O-ND2 3.17Å; Y362-N366 VanDerWaalsContact O-ND2 3.1Å; C363-N366 PolarHBondContact O-N 3.01Å; F364-N366 VanDerWaalsContact C-N 3.35Å; N366-E368 VanDerWaalsContact C-N 3.26Å; N366-E368 PolarHBondContact O-N 2.84Å; N366-E368 PolarHBondContact OD1-N 3.16Å; N366-E368 VanDerWaalsContact OD1-N 3.08Å; N366-V369 HydrophobicContact CB-CB 4.2Å; N366-V369 HydrophobicContact CB-CG2 3.95Å; N366-V369 PolarHBondContact O-N 3.39Å; N366-R370 WeakPolarHBondContact O-CG 3.3Å; N366-R370 PolarHBondContact O-N 3.31Å
367G78.6Confident83.6Confident49 Ų4964.3 Ų64.351%0.50531%0.305SS..Hα-helixtrans-58.9-34.9-177.900000113.5L365 S371L365-G367 PolarHBondContact O-N 3.11Å; G367-S371 VanDerWaalsContact O-CB 3.24Å; G367-S371 WeakPolarHBondContact O-CB 3.37Å; G367-S371 PolarHBondContact O-N 2.94Å
368E81Confident83.7Confident84 Ų8466.4 Ų66.439%0.39332%0.315SS..Hα-helixtrans-65.7-45.7177.2-65.9179.4-177.300111.1R151 N366 S371 A372R151-E368 IonicContact CZ-OE1 3.74Å; R151-E368 IonicContact CZ-OE2 3.93Å; R151-E368 IonicContact NH2-OE1 2.69Å; R151-E368 PolarHBondContact NH2-OE1 3.15Å; R151-E368 IonicContact NH2-OE2 2.77Å; R151-E368 PolarHBondContact NH2-OE2 3.38Å; N366-E368 VanDerWaalsContact C-N 3.26Å; N366-E368 PolarHBondContact O-N 2.84Å; N366-E368 PolarHBondContact OD1-N 3.16Å; N366-E368 VanDerWaalsContact OD1-N 3.08Å; E368-S371 PolarHBondContact O-N 2.66Å; E368-A372 WeakPolarHBondContact O-CB 3.44Å; E368-A372 PolarHBondContact O-N 3.03Å
369V82.6Confident83.8Confident4 Ų471.8 Ų71.82%0.02434%0.335CS..Hα-helixtrans-65-47.9178.1179.40000110F141 L144 C363 N366 S371 A372 V373F141-V369 HydrophobicContact CE1-CG2 4.09Å; F141-V369 HydrophobicContact CZ-CG2 4.31Å; L144-V369 HydrophobicContact CD1-CG1 3.98Å; C363-V369 WeakPolarHBondContact O-CB 3.3Å; N366-V369 HydrophobicContact CB-CB 4.2Å; N366-V369 HydrophobicContact CB-CG2 3.95Å; N366-V369 PolarHBondContact O-N 3.39Å; V369-S371 VanDerWaalsContact C-N 3.32Å; V369-S371 PolarHBondContact O-N 3.17Å; V369-A372 PolarHBondContact O-N 3.03Å; V369-V373 HydrophobicContact CG1-CG2 4.27Å; V369-V373 WeakPolarHBondContact O-CB 3.41Å; V369-V373 VanDerWaalsContact O-CG2 3.3Å; V369-V373 WeakPolarHBondContact O-CG2 3.27Å; V369-V373 PolarHBondContact O-N 3.17Å
370R84.6Confident83.8Confident139 Ų13977.8 Ų77.853%0.52536%0.358SS..Hα-helixtrans-58.5-42.7177.6-70.1176.974.1-178.13.4112.1F364 N366 R374F364-R370 VanDerWaalsContact O-CD 3.29Å; F364-R370 WeakPolarHBondContact O-CD 3.43Å; F364-R370 VanDerWaalsContact O-CG 3.28Å; F364-R370 WeakPolarHBondContact O-CG 3.3Å; N366-R370 WeakPolarHBondContact O-CG 3.3Å; N366-R370 PolarHBondContact O-N 3.31Å; R370-R374 WeakPolarHBondContact O-CB 3.47Å; R370-R374 PolarHBondContact O-N 3.12Å
371S84.6Confident84Confident75 Ų7580.3 Ų80.352%0.52437%0.368SS..Hα-helixtrans-64.9-44.3176.8-176.10000111.7G367 E368 V369 R374 K375G367-S371 VanDerWaalsContact O-CB 3.24Å; G367-S371 WeakPolarHBondContact O-CB 3.37Å; G367-S371 PolarHBondContact O-N 2.94Å; E368-S371 PolarHBondContact O-N 2.66Å; V369-S371 VanDerWaalsContact C-N 3.32Å; V369-S371 PolarHBondContact O-N 3.17Å; S371-R374 PolarHBondContact O-N 3.22Å; S371-K375 WeakPolarHBondContact O-CB 3.31Å; S371-K375 PolarHBondContact O-N 3.49Å
372A85.4Confident84.3Confident20 Ų2082.6 Ų82.617%0.16538%0.382CS..Hα-helixtrans-66.3-40.717900000112.9L144 I147 E368 V369 K375 R376L144-A372 HydrophobicContact CD1-CB 4.17Å; L144-A372 HydrophobicContact CD2-CB 3.93Å; I147-A372 HydrophobicContact CD1-CB 3.61Å; E368-A372 WeakPolarHBondContact O-CB 3.44Å; E368-A372 PolarHBondContact O-N 3.03Å; V369-A372 PolarHBondContact O-N 3.03Å; A372-K375 PolarHBondContact O-N 3.4Å; A372-R376 WeakPolarHBondContact O-CB 3.36Å; A372-R376 PolarHBondContact O-N 3.34Å
373V85.4Confident84.6Confident53 Ų5386.1 Ų86.132%0.32140%0.403SS..Hα-helixtrans-61.6-47.7172.7172.50000110.1L140 L144 V369 K375 R376 W377L140-V373 HydrophobicContact CD2-CG2 4.14Å; L144-V373 HydrophobicContact CD1-CG2 4Å; V369-V373 HydrophobicContact CG1-CG2 4.27Å; V369-V373 WeakPolarHBondContact O-CB 3.41Å; V369-V373 VanDerWaalsContact O-CG2 3.3Å; V369-V373 WeakPolarHBondContact O-CG2 3.27Å; V369-V373 PolarHBondContact O-N 3.17Å; V373-K375 VanDerWaalsContact C-N 3.33Å; V373-K375 PolarHBondContact O-N 3.19Å; V373-R376 WeakPolarHBondContact O-CB 3.46Å; V373-R376 PolarHBondContact O-N 3.02Å; V373-R376 VanDerWaalsContact O-N 3.1Å; V373-W377 WeakPolarHBondContact O-CB 3.14Å; V373-W377 PolarHBondContact O-N 3.5Å
374R87Confident84.6Confident151 Ų15189.9 Ų89.957%0.5742%0.42SS*.Hα-helixtrans-58.2-44.1176.8-171.5-172.6-59.3-102.93111.9R370 S371 R376 W377 H378R370-R374 WeakPolarHBondContact O-CB 3.47Å; R370-R374 PolarHBondContact O-N 3.12Å; S371-R374 PolarHBondContact O-N 3.22Å; R374-R376 VanDerWaalsContact C-N 3.34Å; R374-R376 PolarHBondContact O-N 2.5Å; R374-W377 WeakPolarHBondContact O-CB 3.46Å; R374-W377 PolarHBondContact O-N 2.98Å; R374-H378 WeakPolarHBondContact CG-NE2 3.04Å; R374-H378 PolarHBondContact O-CD2 3.36Å; R374-H378 PolarHBondContact O-N 3.34Å
375K86.9Confident84.5Confident133 Ų13388.8 Ų88.858%0.57842%0.423SS*.Hα-helixtrans-65.2-35.2176.3-169.6175.5-175.5172.70112.5S371 A372 V373 R379S371-K375 WeakPolarHBondContact O-CB 3.31Å; S371-K375 PolarHBondContact O-N 3.49Å; A372-K375 PolarHBondContact O-N 3.4Å; V373-K375 VanDerWaalsContact C-N 3.33Å; V373-K375 PolarHBondContact O-N 3.19Å; K375-R379 WeakPolarHBondContact O-CG 3.13Å; K375-R379 PolarHBondContact O-N 2.81Å; K375-R379 PolarHBondContact O-NE 2.87Å
376R85.1Confident84.3Confident153 Ų15388.7 Ų88.758%0.57742%0.423SS*.Hα-helixtrans-68.5-42.4173.6-167.681.5173.1134.8-1.3110.7A372 V373 R374 R379 W380A372-R376 WeakPolarHBondContact O-CB 3.36Å; A372-R376 PolarHBondContact O-N 3.34Å; V373-R376 WeakPolarHBondContact O-CB 3.46Å; V373-R376 PolarHBondContact O-N 3.02Å; V373-R376 VanDerWaalsContact O-N 3.1Å; R374-R376 VanDerWaalsContact C-N 3.34Å; R374-R376 PolarHBondContact O-N 2.5Å; R376-R379 PolarHBondContact O-N 3.43Å; R376-W380 WeakPolarHBondContact O-CB 3.45Å; R376-W380 PolarHBondContact O-N 2.75Å
377W87.4Confident83.9Confident141 Ų14196 Ų9653%0.53445%0.449SS..Hα-helixtrans-62.4-48.4178.8-171.3-96.8000111.8V373 R374 R379 W380 Q381V373-W377 WeakPolarHBondContact O-CB 3.14Å; V373-W377 PolarHBondContact O-N 3.5Å; R374-W377 WeakPolarHBondContact O-CB 3.46Å; R374-W377 PolarHBondContact O-N 2.98Å; W377-R379 PolarHBondContact O-N 3.01Å; W377-W380 HydrophobicContact CH2-CE3 4.42Å; W377-W380 HydrophobicContact CH2-CZ3 4.08Å; W377-W380 HydrophobicContact CZ2-CZ3 4.19Å; W377-W380 HydrophobicContact CZ3-CE3 4.41Å; W377-W380 HydrophobicContact CZ3-CZ3 4.46Å; W377-W380 WeakPolarHBondContact O-CB 3.31Å; W377-W380 PolarHBondContact O-N 2.03Å; W377-W380 VanDerWaalsContact O-N 3.14Å; W377-Q381 VanDerWaalsContact NE1-CD 3.33Å; W377-Q381 WeakPolarHBondContact O-CG 3.25Å; W377-Q381 PolarHBondContact O-N 3.47Å
378H88.8Confident83.6Confident92 Ų9298 Ų9843%0.42645%0.45SS..Hα-helixtrans-59.5-46.8175.2-71.3-49.9000112.2R374 W380 Q381 D382R374-H378 WeakPolarHBondContact CG-NE2 3.04Å; R374-H378 PolarHBondContact O-CD2 3.36Å; R374-H378 PolarHBondContact O-N 3.34Å; H378-W380 VanDerWaalsContact C-N 3.26Å; H378-W380 PolarHBondContact O-N 3.17Å; H378-Q381 PolarHBondContact ND1-OE1 3.45Å; H378-Q381 WeakPolarHBondContact O-CB 3.39Å; H378-Q381 PolarHBondContact O-N 2.7Å; H378-Q381 VanDerWaalsContact O-N 3.15Å; H378-D382 PolarHBondContact O-N 3.13Å
379R86.4Confident83Confident116 Ų116102.6 Ų102.644%0.43846%0.464SS..Hα-helixtrans-60.7-34.9175.2-74.5179.9-68.2-162.82.3113.3K375 R376 W377 N383K375-R379 WeakPolarHBondContact O-CG 3.13Å; K375-R379 PolarHBondContact O-N 2.81Å; K375-R379 PolarHBondContact O-NE 2.87Å; R376-R379 PolarHBondContact O-N 3.43Å; W377-R379 PolarHBondContact O-N 3.01Å; R379-N383 WeakPolarHBondContact O-CB 2.86Å; R379-N383 VanDerWaalsContact O-CG 3.25Å; R379-N383 PolarHBondContact O-N 2.99Å; R379-N383 PolarHBondContact O-ND2 2.85Å
380W86.9Confident82.3Confident127 Ų127106.2 Ų106.248%0.48149%0.486SS..Hα-helixtrans-69.2-44.1175.8178.783.2000111R376 W377 H378 N383 H384R376-W380 WeakPolarHBondContact O-CB 3.45Å; R376-W380 PolarHBondContact O-N 2.75Å; W377-W380 HydrophobicContact CH2-CE3 4.42Å; W377-W380 HydrophobicContact CH2-CZ3 4.08Å; W377-W380 HydrophobicContact CZ2-CZ3 4.19Å; W377-W380 HydrophobicContact CZ3-CE3 4.41Å; W377-W380 HydrophobicContact CZ3-CZ3 4.46Å; W377-W380 WeakPolarHBondContact O-CB 3.31Å; W377-W380 PolarHBondContact O-N 2.03Å; W377-W380 VanDerWaalsContact O-N 3.14Å; H378-W380 VanDerWaalsContact C-N 3.26Å; H378-W380 PolarHBondContact O-N 3.17Å; W380-N383 PolarHBondContact O-N 2.86Å; W380-H384 AromaticContact CD1-CD2 3.68Å; W380-H384 AromaticContact CD1-NE2 3.84Å; W380-H384 AromaticContact CD2-CD2 3.62Å; W380-H384 AromaticContact CE2-CD2 3.12Å; W380-H384 AromaticContact CE2-NE2 3.17Å; W380-H384 AromaticContact CG-CD2 3.96Å; W380-H384 AromaticContact CZ2-CD2 3.44Å; W380-H384 VanDerWaalsContact CZ2-CD2 3.44Å; W380-H384 WeakPolarHBondContact CZ2-CD2 3.3Å; W380-H384 AromaticContact CZ2-CE1 3.82Å; W380-H384 AromaticContact CZ2-NE2 3.28Å; W380-H384 VanDerWaalsContact CZ2-NE2 3.28Å; W380-H384 WeakPolarHBondContact CZ2-NE2 3.48Å; W380-H384 AromaticContact NE1-CD2 3.18Å; W380-H384 PolarHBondContact NE1-CD2 2.92Å; W380-H384 AromaticContact NE1-NE2 2.97Å; W380-H384 PolarHBondContact NE1-NE2 3.05Å; W380-H384 WeakPolarHBondContact O-CB 3.46Å; W380-H384 PolarHBondContact O-CD2 3.22Å; W380-H384 PolarHBondContact O-N 3.24Å
381Q88.5Confident81.4Confident83 Ų83102.3 Ų102.339%0.38848%0.483SS..Hα-helixtrans-59-46.1173.4-72.3179.7-35.600111.7W377 H378 N383 H384 A385W377-Q381 VanDerWaalsContact NE1-CD 3.33Å; W377-Q381 WeakPolarHBondContact O-CG 3.25Å; W377-Q381 PolarHBondContact O-N 3.47Å; H378-Q381 PolarHBondContact ND1-OE1 3.45Å; H378-Q381 WeakPolarHBondContact O-CB 3.39Å; H378-Q381 PolarHBondContact O-N 2.7Å; H378-Q381 VanDerWaalsContact O-N 3.15Å; Q381-N383 PolarHBondContact O-N 3.41Å; Q381-H384 PolarHBondContact O-N 3.06Å; Q381-A385 WeakPolarHBondContact O-CB 3.02Å; Q381-A385 PolarHBondContact O-N 3.07Å
382D87.9Confident80.4Confident97 Ų97107.5 Ų107.552%0.51949%0.492SS..Hα-helixtrans-60.9-45.9178.2-65-26.4000111.3H378 H384 A385 L386H378-D382 PolarHBondContact O-N 3.13Å; D382-H384 PolarHBondContact O-N 3.44Å; D382-A385 PolarHBondContact O-N 2.72Å; D382-L386 WeakPolarHBondContact O-CB 3.38Å; D382-L386 VanDerWaalsContact O-CG 3.31Å; D382-L386 WeakPolarHBondContact O-CG 3.04Å; D382-L386 PolarHBondContact O-N 3.16Å
383N84.6Confident79.3Confident98 Ų98109.7 Ų109.752%0.52451%0.51SS..Hα-helixtrans-64.5-37.9176.8-76.8-14.2000112.6R379 W380 Q381 R387R379-N383 WeakPolarHBondContact O-CB 2.86Å; R379-N383 VanDerWaalsContact O-CG 3.25Å; R379-N383 PolarHBondContact O-N 2.99Å; R379-N383 PolarHBondContact O-ND2 2.85Å; W380-N383 PolarHBondContact O-N 2.86Å; Q381-N383 PolarHBondContact O-N 3.41Å; N383-R387 WeakPolarHBondContact O-CG 3.18Å; N383-R387 PolarHBondContact O-N 3.02Å
384H82.3Confident78Confident78 Ų78114.2 Ų114.236%0.36153%0.529SS..Hα-helixtrans-68.1-42174.9-92.2-87.6000111.8W380 Q381 D382 L386 R387 V388W380-H384 AromaticContact CD1-CD2 3.68Å; W380-H384 AromaticContact CD1-NE2 3.84Å; W380-H384 AromaticContact CD2-CD2 3.62Å; W380-H384 AromaticContact CE2-CD2 3.12Å; W380-H384 AromaticContact CE2-NE2 3.17Å; W380-H384 AromaticContact CG-CD2 3.96Å; W380-H384 AromaticContact CZ2-CD2 3.44Å; W380-H384 VanDerWaalsContact CZ2-CD2 3.44Å; W380-H384 WeakPolarHBondContact CZ2-CD2 3.3Å; W380-H384 AromaticContact CZ2-CE1 3.82Å; W380-H384 AromaticContact CZ2-NE2 3.28Å; W380-H384 VanDerWaalsContact CZ2-NE2 3.28Å; W380-H384 WeakPolarHBondContact CZ2-NE2 3.48Å; W380-H384 AromaticContact NE1-CD2 3.18Å; W380-H384 PolarHBondContact NE1-CD2 2.92Å; W380-H384 AromaticContact NE1-NE2 2.97Å; W380-H384 PolarHBondContact NE1-NE2 3.05Å; W380-H384 WeakPolarHBondContact O-CB 3.46Å; W380-H384 PolarHBondContact O-CD2 3.22Å; W380-H384 PolarHBondContact O-N 3.24Å; Q381-H384 PolarHBondContact O-N 3.06Å; D382-H384 PolarHBondContact O-N 3.44Å; H384-L386 VanDerWaalsContact C-N 3.33Å; H384-L386 PolarHBondContact O-N 2.81Å; H384-R387 PolarHBondContact O-N 3.48Å; H384-V388 WeakPolarHBondContact O-CG2 3.23Å; H384-V388 PolarHBondContact O-N 3.28Å
385A80.4Confident76.6Confident46 Ų46111 Ų11138%0.3853%0.53SS..Hα-helixtrans-61.4-41.2174.700000111.6Q381 D382 V388 R389Q381-A385 WeakPolarHBondContact O-CB 3.02Å; Q381-A385 PolarHBondContact O-N 3.07Å; D382-A385 PolarHBondContact O-N 2.72Å; A385-V388 PolarHBondContact O-N 3.21Å; A385-R389 WeakPolarHBondContact O-CB 3.1Å; A385-R389 VanDerWaalsContact O-CG 3.31Å; A385-R389 WeakPolarHBondContact O-CG 3.33Å; A385-R389 PolarHBondContact O-N 3.14Å
386L75.6Confident75Confident93 Ų93110.1 Ų110.149%0.48753%0.53SS..Hα-helixtrans-64.1-45.2174.3-73.4167.9000112.1D382 H384 V388 R389 V390D382-L386 WeakPolarHBondContact O-CB 3.38Å; D382-L386 VanDerWaalsContact O-CG 3.31Å; D382-L386 WeakPolarHBondContact O-CG 3.04Å; D382-L386 PolarHBondContact O-N 3.16Å; H384-L386 VanDerWaalsContact C-N 3.33Å; H384-L386 PolarHBondContact O-N 2.81Å; L386-V388 VanDerWaalsContact C-N 3.34Å; L386-V388 PolarHBondContact O-N 3Å; L386-R389 PolarHBondContact O-N 2.84Å; L386-V390 WeakPolarHBondContact O-CG2 3.39Å; L386-V390 PolarHBondContact O-N 2.94Å
387R72.8Confident73.3Confident185 Ų185108.1 Ų108.170%0.69854%0.537SS*.Hα-helixtrans-60.3-41.9176.1-78.4-175.1-173.9-165.91.5112.3N383 H384 V390 A391N383-R387 WeakPolarHBondContact O-CG 3.18Å; N383-R387 PolarHBondContact O-N 3.02Å; H384-R387 PolarHBondContact O-N 3.48Å; R387-V390 PolarHBondContact O-N 2.81Å; R387-A391 WeakPolarHBondContact O-CB 3.45Å; R387-A391 PolarHBondContact O-N 3.44Å
388V71.7Confident71.8Confident89 Ų89107.8 Ų107.854%0.53955%0.551SS.*Hα-helixtrans-65.9-41.2176.6172.80000111.1H384 A385 L386 A391 R392H384-V388 WeakPolarHBondContact O-CG2 3.23Å; H384-V388 PolarHBondContact O-N 3.28Å; A385-V388 PolarHBondContact O-N 3.21Å; L386-V388 VanDerWaalsContact C-N 3.34Å; L386-V388 PolarHBondContact O-N 3Å; V388-A391 PolarHBondContact O-N 3.05Å; V388-R392 WeakPolarHBondContact O-CB 3.26Å; V388-R392 PolarHBondContact O-N 2.9Å
389R68.3Low69.7Low181 Ų181107.5 Ų107.568%0.68356%0.559SS**Hα-helixtrans-62.8-44.3175.1-74.6176.6-1741782.7112.3A385 L386 R392 A393A385-R389 WeakPolarHBondContact O-CB 3.1Å; A385-R389 VanDerWaalsContact O-CG 3.31Å; A385-R389 WeakPolarHBondContact O-CG 3.33Å; A385-R389 PolarHBondContact O-N 3.14Å; L386-R389 PolarHBondContact O-N 2.84Å; R389-R392 PolarHBondContact O-N 3.42Å; R389-A393 WeakPolarHBondContact O-CB 3.26Å; R389-A393 PolarHBondContact O-N 2.81Å
390V68.1Low67.9Low81 Ų81107.6 Ų107.649%0.49157%0.574SS.*Hα-helixtrans-64.9-43.6177.7170.80000111.2L386 R387 R392 A393 M394L386-V390 WeakPolarHBondContact O-CG2 3.39Å; L386-V390 PolarHBondContact O-N 2.94Å; R387-V390 PolarHBondContact O-N 2.81Å; V390-R392 VanDerWaalsContact C-N 3.32Å; V390-R392 PolarHBondContact O-N 3.45Å; V390-A393 PolarHBondContact O-N 2.88Å; V390-M394 HydrophobicContact CG1-CE 3.82Å; V390-M394 HydrophobicContact CG1-SD 4.41Å; V390-M394 WeakPolarHBondContact O-CG 3.39Å; V390-M394 PolarHBondContact O-N 3Å
391A65.9Low65.9Low56 Ų56107 Ų10746%0.46359%0.585SS.*Hα-helixtrans-60.9-40.1174.900000112.2R387 V388 M394 S395R387-A391 WeakPolarHBondContact O-CB 3.45Å; R387-A391 PolarHBondContact O-N 3.44Å; V388-A391 PolarHBondContact O-N 3.05Å; A391-M394 PolarHBondContact O-N 2.89Å; A391-S395 PolarHBondContact O-N 2.02Å; A391-S395 VanDerWaalsContact O-N 3.14Å; A391-S395 PolarHBondContact O-OG 3.49Å
392R62.9Low63.7Low185 Ų185114 Ų11470%0.69861%0.608SS**Hα-helixtrans-71-34.9178-150.5178.9-151.61614.9112.9V388 R389 V390 S395 I396V388-R392 WeakPolarHBondContact O-CB 3.26Å; V388-R392 PolarHBondContact O-N 2.9Å; R389-R392 PolarHBondContact O-N 3.42Å; V390-R392 VanDerWaalsContact C-N 3.32Å; V390-R392 PolarHBondContact O-N 3.45Å; R392-S395 WeakPolarHBondContact CA-OG 3.4Å; R392-S395 PolarHBondContact O-N 3.49Å; R392-S395 PolarHBondContact O-OG 3.04Å; R392-I396 PolarHBondContact O-N 2.94Å
393A62.2Low61.7Low66 Ų66115.9 Ų115.955%0.54562%0.617SS.*Hα-helixtrans-68.2-36.1174.400000112.1R389 V390 S395R389-A393 WeakPolarHBondContact O-CB 3.26Å; R389-A393 PolarHBondContact O-N 2.81Å; V390-A393 PolarHBondContact O-N 2.88Å; A393-S395 VanDerWaalsContact C-N 3.33Å
394M59.3Low59.6Low148 Ų148115.6 Ų115.673%0.72962%0.622SS**Hα-helixtrans-75.4-19.3175.2-69.6-173.4-59.100113.7V390 A391V390-M394 HydrophobicContact CG1-CE 3.82Å; V390-M394 HydrophobicContact CG1-SD 4.41Å; V390-M394 WeakPolarHBondContact O-CG 3.39Å; V390-M394 PolarHBondContact O-N 3Å; A391-M394 PolarHBondContact O-N 2.89Å
395S57.5Low57.8Low84 Ų84121.4 Ų121.459%0.58765%0.647SS**THydrogen-bonded Turntrans-90.2-4.5176.264.60000114.3A391 R392 A393 P397A391-S395 PolarHBondContact O-N 2.02Å; A391-S395 VanDerWaalsContact O-N 3.14Å; A391-S395 PolarHBondContact O-OG 3.49Å; R392-S395 WeakPolarHBondContact CA-OG 3.4Å; R392-S395 PolarHBondContact O-N 3.49Å; R392-S395 PolarHBondContact O-OG 3.04Å; A393-S395 VanDerWaalsContact C-N 3.33Å; S395-P397 VanDerWaalsContact O-CD 3.29Å; S395-P397 WeakPolarHBondContact O-CD 3.19Å
396I51.5Low55.9Low114 Ų114127.6 Ų127.659%0.58567%0.668SS**SBendtrans-77.4115.1169.1-66.2168000106.2R392 T398R392-I396 PolarHBondContact O-N 2.94Å; I396-T398 PolarHBondContact O-N 3.38Å
397P49.4Very low54.1Low110 Ų110127.5 Ų127.571%0.71468%0.675SS**  trans-63112.917025.8-29000106.5S395 S399S395-P397 VanDerWaalsContact O-CD 3.29Å; S395-P397 WeakPolarHBondContact O-CD 3.19Å; P397-S399 PolarHBondContact O-N 2.92Å
398T57.5Low52.6Low135 Ų135127.2 Ų127.283%0.82869%0.685SS**  trans-63.480.516047.70000106.7I396 P400I396-T398 PolarHBondContact O-N 3.38Å; T398-P400 VanDerWaalsContact O-CD 3.29Å; T398-P400 WeakPolarHBondContact O-CD 3.37Å
399S44.4Very low51.1Low86 Ų86131 Ų13160%0.60169%0.694SS**  trans-64.2117.3166.7-177.70000106.5P397 T401P397-S399 PolarHBondContact O-N 2.92Å; S399-T401 PolarHBondContact O-N 2.83Å
400P48.4Very low50Low117 Ų117129.9 Ų129.976%0.7670%0.697SS**  trans-77.683.9171.632.2-27.3000106.2T398 R402T398-P400 VanDerWaalsContact O-CD 3.29Å; T398-P400 WeakPolarHBondContact O-CD 3.37Å; P400-R402 PolarHBondContact O-N 3.36Å
401T44.8Very low48.6Very low116 Ų116132.6 Ų132.671%0.71271%0.714SS**  trans-68.286.6158.144.30000106.8S399 I403S399-T401 PolarHBondContact O-N 2.83Å; T401-I403 PolarHBondContact O-N 3.45Å
402R43Very low47.5Very low229 Ų229136.5 Ų136.586%0.86473%0.732SS**  trans-53.190.9159.9-177.1-165.5-99-150.3-2.7106.8P400 S404P400-R402 PolarHBondContact O-N 3.36Å; R402-S404 VanDerWaalsContact C-N 3.29Å; R402-S404 PolarHBondContact O-N 3.48Å
403I46Very low46.7Very low136 Ų136131.5 Ų131.570%0.69773%0.731SS**  trans-70.496.9162.5-60.6176.7000104.9T401 F405T401-I403 PolarHBondContact O-N 3.45Å; I403-F405 HydrophobicContact CG2-CD2 3.81Å; I403-F405 HydrophobicContact CG2-CE2 3.93Å; I403-F405 PolarHBondContact O-N 2.91Å; I403-F405 VanDerWaalsContact O-N 3.13Å
404S40.4Very low45.6Very low92 Ų92140.5 Ų140.564%0.64377%0.768SS**  trans-70.5100.8173.561.10000109.2R402 H406R402-S404 VanDerWaalsContact C-N 3.29Å; R402-S404 PolarHBondContact O-N 3.48Å; S404-H406 PolarHBondContact O-N 2.76Å
405F44.7Very low45Very low200 Ų200140.2 Ų140.288%0.87777%0.77SS**  trans-87.885.5158-94.9-85.7000108.9I403I403-F405 HydrophobicContact CG2-CD2 3.81Å; I403-F405 HydrophobicContact CG2-CE2 3.93Å; I403-F405 PolarHBondContact O-N 2.91Å; I403-F405 VanDerWaalsContact O-N 3.13Å
406H39.6Very low44.3Very low177 Ų177143.1 Ų143.182%0.81978%0.78SS**  trans-137.8129.2156.1-95.9-85.1000102.9S404S404-H406 PolarHBondContact O-N 2.76Å
407S37.1Very low43.9Very low91 Ų91144.7 Ų144.764%0.63679%0.791SS**  cis-173.1126.924.5162.10000106.4
408I41.5Very low43.6Very low178 Ų178146.8 Ų146.891%0.91380%0.795SS**  trans-128.498.3151.3-62.4179.7000105.7
409K40.9Very low42.7Very low168 Ų168147.5 Ų147.573%0.7379%0.793SS**  trans-77.8129.4167.7-96.4-175.2173.4-175.80108.9
410Q45.1Very low42.6Very low158 Ų158151.6 Ų151.674%0.73881%0.806SS**  trans42.8117.9135.6-67.9176-46.400119.6
411T38.7Very low42.2Very low138 Ų138154.1 Ų154.185%0.84781%0.809SS**  -144100.9126.8-32.30000110.1A413T411-A413 HydrophobicContact CG2-CB 4.39Å
412T43.7Very low42Very low138 Ų138157 Ų15785%0.84782%0.817SS**  trans-86.7121.3148.533.50000107
413A46.1Very low41.9Very low81 Ų81151 Ų15167%0.66981%0.813SS**  trans-149.3116.5162.400000108.9T411T411-A413 HydrophobicContact CG2-CB 4.39Å
414L38.8Very low41.5Very low255 Ų255152.4 Ų152.4100%1.33582%0.823SS**  trans55.80166-81.9110.6000120

Retrieved 414 of 414 residues in 645.1 ms (Link to these results)

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