A0A060W3R6_ONCMY Loading...

TATA box-binding protein-associated factor RNA polymerase I subunit B

AlphaFold DB , UniProt , Accession A0A060W3R6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene taf1b, Length 600 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
1M43.3Very low56.9Low213 Ų213102.3 Ų102.3100%1.04959%0.588SS**  08.40-150.4179.6-112.400112
2D45.4Very low58.9Low61 Ų61103.3 Ų103.333%0.32659%0.588SS.*  trans-115-19.8-166.9-62.40.1000114.9E4 Q5 T6 R32D2-E4 PolarHBondContact O-N 3.45Å; D2-Q5 PolarHBondContact O-N 3.16Å; D2-Q5 VanDerWaalsContact O-N 3.09Å; D2-T6 PolarHBondContact O-N 3.44Å; D2-T6 PolarHBondContact O-OG1 2.83Å; D2-R32 IonicContact OD2-NH2 3.39Å; D2-R32 PolarHBondContact OD2-NH2 3.34Å
3E49Very low60.6Low163 Ų16395.4 Ų95.476%0.76254%0.543SS*.Hα-helixtrans-65-28.6178.7-77.6-179.9153.500112.4Q5 G7E3-Q5 PolarHBondContact O-N 3.15Å; E3-G7 PolarHBondContact O-N 3.44Å
4E53.6Low61.9Low190 Ų19094.5 Ų94.589%0.88857%0.566SS**Hα-helixtrans-73.1-17.1176.6-141.3179.5-168.500112.3D2D2-E4 PolarHBondContact O-N 3.45Å
5Q52.5Low63.1Low97 Ų9797.7 Ų97.745%0.45357%0.572SS.*Hα-helixtrans-94.7-23.2-177.4-61.1-170.84.800113.5D2 E3D2-Q5 PolarHBondContact O-N 3.16Å; D2-Q5 VanDerWaalsContact O-N 3.09Å; E3-Q5 PolarHBondContact O-N 3.15Å
6T55.6Low64.3Low24 Ų2494.8 Ų94.815%0.14756%0.558CS.*Hα-helixtrans-109.2-0.2178.2570000113.9D2 G8 Y9 W21 V23 F29D2-T6 PolarHBondContact O-N 3.44Å; D2-T6 PolarHBondContact O-OG1 2.83Å; T6-G8 PolarHBondContact O-N 3.16Å; T6-Y9 PolarHBondContact O-N 3.39Å; T6-W21 HydrophobicContact CG2-CB 4.48Å; T6-W21 WeakPolarHBondContact CG2-O 3.34Å; T6-V23 HydrophobicContact CG2-CG2 3.79Å; T6-F29 HydrophobicContact CG2-CD1 4.43Å; T6-F29 HydrophobicContact CG2-CE1 3.92Å
7G53.8Low65.1Low76 Ų7691.9 Ų91.978%0.78455%0.554SS**THydrogen-bonded Turntrans-61.520.3-172.200000118.6E3E3-G7 PolarHBondContact O-N 3.44Å
8G58.6Low65.9Low76 Ų7692.9 Ų92.978%0.78455%0.551SS**THydrogen-bonded Turntrans-142.66.6169.300000114T6T6-G8 PolarHBondContact O-N 3.16Å
9Y65.4Low66.6Low53 Ų5391.7 Ų91.721%0.20855%0.545CS..  trans-106.998.4-178-166.5-119.2000111T6 D11 W21 F29 I38T6-Y9 PolarHBondContact O-N 3.39Å; Y9-D11 HydrophobicContact CD2-CB 4.49Å; Y9-D11 HydrophobicContact CE1-CB 4.23Å; Y9-D11 HydrophobicContact CE2-CB 3.75Å; Y9-D11 WeakPolarHBondContact CE2-OD2 3.4Å; Y9-D11 WeakPolarHBondContact OH-CB 3.49Å; Y9-D11 PolarHBondContact OH-OD2 3.25Å; Y9-W21 HydrophobicContact CD1-CB 4.17Å; Y9-W21 AromaticContact CD1-CD1 3.41Å; Y9-W21 VanDerWaalsContact CD1-CD1 3.41Å; Y9-W21 AromaticContact CD1-CD2 3.99Å; Y9-W21 HydrophobicContact CD1-CD2 3.99Å; Y9-W21 AromaticContact CD1-CG 3.61Å; Y9-W21 HydrophobicContact CD1-CG 3.61Å; Y9-W21 AromaticContact CD1-NE1 3.68Å; Y9-W21 AromaticContact CE1-CD1 3.69Å; Y9-W21 AromaticContact CE1-CD2 3.71Å; Y9-W21 HydrophobicContact CE1-CD2 3.71Å; Y9-W21 AromaticContact CE1-CE2 3.47Å; Y9-W21 VanDerWaalsContact CE1-CE2 3.47Å; Y9-W21 HydrophobicContact CE1-CE3 4.38Å; Y9-W21 AromaticContact CE1-CG 3.85Å; Y9-W21 HydrophobicContact CE1-CG 3.85Å; Y9-W21 AromaticContact CE1-CZ2 3.95Å; Y9-W21 HydrophobicContact CE1-CZ2 3.95Å; Y9-W21 AromaticContact CE1-NE1 3.45Å; Y9-F29 HydrophobicContact CD1-CD1 4.18Å; Y9-F29 HydrophobicContact CD1-CE1 4.33Å; Y9-F29 HydrophobicContact CG-CE1 4.44Å; Y9-I38 HydrophobicContact CE1-CD1 3.95Å
10S72.4Confident67.2Low93 Ų9390.4 Ų90.465%0.6554%0.535SS*.  trans-108.715.6-177.252.70000113.9
11D76.9Confident68Low79 Ų7986.7 Ų86.742%0.42251%0.512SS..PPolyproline II helixtrans-72.9145177.4-68.2-15.9000110.9Y9 W21 R40Y9-D11 HydrophobicContact CD2-CB 4.49Å; Y9-D11 HydrophobicContact CE1-CB 4.23Å; Y9-D11 HydrophobicContact CE2-CB 3.75Å; Y9-D11 WeakPolarHBondContact CE2-OD2 3.4Å; Y9-D11 WeakPolarHBondContact OH-CB 3.49Å; Y9-D11 PolarHBondContact OH-OD2 3.25Å; D11-W21 PolarHBondContact O-NE1 3.19Å; D11-R40 IonicContact OD2-NH1 3.73Å
12I80.3Confident69.8Low114 Ų11476.5 Ų76.559%0.58546%0.462SS*.PPolyproline II helixtrans-74.7134.3179.9-59.5173.7000110G14 G17 V19I12-G14 PolarHBondContact O-N 3.5Å; I12-G17 VanDerWaalsContact CG2-C 3.41Å; I12-G17 VanDerWaalsContact CG2-CA 3.42Å; I12-G17 VanDerWaalsContact CG2-O 3.25Å; I12-G17 WeakPolarHBondContact CG2-O 3.41Å; I12-V19 HydrophobicContact CB-CG2 4.43Å; I12-V19 HydrophobicContact CG1-CG2 3.85Å
13C81.6Confident71.4Confident1 Ų174.6 Ų74.61%0.00745%0.452CS..PPolyproline II helixtrans-62.1118.3171.2-175.50000110.9Q15 C16 G17 E18 W21 C31 C34C13-Q15 PolarHBondContact O-N 3.07Å; C13-C16 PolarHBondContact O-N 3.02Å; C13-G17 WeakPolarHBondContact O-CA 3.41Å; C13-G17 PolarHBondContact O-N 2.93Å; C13-E18 WeakPolarHBondContact CB-O 3.5Å; C13-E18 PolarHBondContact N-O 2.94Å; C13-W21 HydrophobicContact CB-CH2 4.18Å; C13-W21 HydrophobicContact CB-CZ2 3.81Å; C13-C31 HydrophobicContact CB-CB 4.37Å; C13-C34 VanDerWaalsContact SG-SG 3.63Å
14G78.1Confident72.7Confident83 Ų8368.9 Ų68.986%0.85643%0.43SS*.THydrogen-bonded Turntrans-62.7-9-179.200000115.8I12I12-G14 PolarHBondContact O-N 3.5Å
15Q79.6Confident73.3Confident142 Ų14268.4 Ų68.466%0.66443%0.433SS*.THydrogen-bonded Turntrans-103.3-36.2176.8-72-158-16.400114.7C13 N36C13-Q15 PolarHBondContact O-N 3.07Å; Q15-N36 HydrophobicContact CG-CB 4.46Å
16C83.8Confident74Confident51 Ų5170.6 Ų70.635%0.34544%0.444SS..THydrogen-bonded Turntrans-121.8-5.5-175.467.30000114.8C13 E18 C31 C34C13-C16 PolarHBondContact O-N 3.02Å; C16-E18 PolarHBondContact O-N 3.3Å; C16-C31 VanDerWaalsContact SG-SG 3.61Å; C16-C34 HydrophobicContact CB-CB 3.91Å
17G76.6Confident74.6Confident47 Ų4770.7 Ų70.749%0.48545%0.449SS..  trans78.10.6177.700000115.2I12 C13I12-G17 VanDerWaalsContact CG2-C 3.41Å; I12-G17 VanDerWaalsContact CG2-CA 3.42Å; I12-G17 VanDerWaalsContact CG2-O 3.25Å; I12-G17 WeakPolarHBondContact CG2-O 3.41Å; C13-G17 WeakPolarHBondContact O-CA 3.41Å; C13-G17 PolarHBondContact O-N 2.93Å
18E79.2Confident75.7Confident110 Ų11073 Ų7351%0.51443%0.434SS..  trans-94145.2-177.9-72.6-64.8159.500112.9C13 C16 N20C13-E18 WeakPolarHBondContact CB-O 3.5Å; C13-E18 PolarHBondContact N-O 2.94Å; C16-E18 PolarHBondContact O-N 3.3Å; E18-N20 PolarHBondContact O-N 3.39Å
19V79.4Confident76.8Confident70 Ų7070.4 Ų70.442%0.42440%0.402SS..  trans-101.568.3175-173.40000108.6I12I12-V19 HydrophobicContact CB-CG2 4.43Å; I12-V19 HydrophobicContact CG1-CG2 3.85Å
20N80.1Confident77.7Confident64 Ų6470.7 Ų70.734%0.34240%0.403SS..  trans-13991.8-176.9-1708000110.3E18 C31 R32E18-N20 PolarHBondContact O-N 3.39Å; N20-C31 CarbonylContact O-C 3.55Å; N20-C31 WeakPolarHBondContact O-CA 3.18Å; N20-R32 PolarHBondContact O-N 2.97Å; N20-R32 WeakPolarHBondContact OD1-CD 3.31Å
21W82.9Confident78.3Confident13 Ų1366.2 Ų66.25%0.04937%0.372CS..EExtended strand (participates in β ladder)trans-111.2143.7-172.2-63.198.4000111.9T6 Y9 D11 C13 F29 Y30 C31 I38T6-W21 HydrophobicContact CG2-CB 4.48Å; T6-W21 WeakPolarHBondContact CG2-O 3.34Å; Y9-W21 HydrophobicContact CD1-CB 4.17Å; Y9-W21 AromaticContact CD1-CD1 3.41Å; Y9-W21 VanDerWaalsContact CD1-CD1 3.41Å; Y9-W21 AromaticContact CD1-CD2 3.99Å; Y9-W21 HydrophobicContact CD1-CD2 3.99Å; Y9-W21 AromaticContact CD1-CG 3.61Å; Y9-W21 HydrophobicContact CD1-CG 3.61Å; Y9-W21 AromaticContact CD1-NE1 3.68Å; Y9-W21 AromaticContact CE1-CD1 3.69Å; Y9-W21 AromaticContact CE1-CD2 3.71Å; Y9-W21 HydrophobicContact CE1-CD2 3.71Å; Y9-W21 AromaticContact CE1-CE2 3.47Å; Y9-W21 VanDerWaalsContact CE1-CE2 3.47Å; Y9-W21 HydrophobicContact CE1-CE3 4.38Å; Y9-W21 AromaticContact CE1-CG 3.85Å; Y9-W21 HydrophobicContact CE1-CG 3.85Å; Y9-W21 AromaticContact CE1-CZ2 3.95Å; Y9-W21 HydrophobicContact CE1-CZ2 3.95Å; Y9-W21 AromaticContact CE1-NE1 3.45Å; D11-W21 PolarHBondContact O-NE1 3.19Å; C13-W21 HydrophobicContact CB-CH2 4.18Å; C13-W21 HydrophobicContact CB-CZ2 3.81Å; W21-F29 HydrophobicContact CB-CD1 4.3Å; W21-F29 HydrophobicContact CE3-CB 4.41Å; W21-Y30 VanDerWaalsContact CE3-C 3.44Å; W21-C31 HydrophobicContact CE3-CB 4.11Å; W21-C31 HydrophobicContact CH2-CB 4.36Å; W21-C31 HydrophobicContact CZ3-CB 3.94Å; W21-I38 HydrophobicContact CE3-CD1 4.39Å; W21-I38 HydrophobicContact CH2-CD1 4.03Å; W21-I38 HydrophobicContact CH2-CG1 4.39Å; W21-I38 HydrophobicContact CH2-CG2 3.76Å; W21-I38 HydrophobicContact CZ3-CD1 3.92Å; W21-I38 HydrophobicContact CZ3-CG1 3.98Å; W21-I38 HydrophobicContact CZ3-CG2 3.94Å
22G80.7Confident78.6Confident0 Ų066.4 Ų66.40%037%0.366CS..EExtended strand (participates in β ladder)trans-123.9165.4168.900000110.8F29 Y30G22-F29 CarbonylContact O-C 3.41Å; G22-F29 WeakPolarHBondContact O-CA 3.44Å; G22-Y30 PolarHBondContact N-O 3.29Å; G22-Y30 WeakPolarHBondContact O-CD1 3.23Å; G22-Y30 PolarHBondContact O-N 3.02Å
23V79.9Confident78.6Confident21 Ų2164 Ų6413%0.12736%0.36CS..EExtended strand (participates in β ladder)trans-118.9128.9176.8-175.60000108.1T6 R28 F29T6-V23 HydrophobicContact CG2-CG2 3.79Å; V23-R28 CarbonylContact C-O 3.59Å; V23-R28 VanDerWaalsContact CA-O 3.31Å; V23-R28 WeakPolarHBondContact CA-O 3.38Å; V23-F29 HydrophobicContact CG2-CD1 4.03Å; V23-F29 HydrophobicContact CG2-CD2 4.34Å; V23-F29 HydrophobicContact CG2-CE1 3.83Å; V23-F29 HydrophobicContact CG2-CE2 4.15Å; V23-F29 HydrophobicContact CG2-CG 4.29Å; V23-F29 HydrophobicContact CG2-CZ 3.89Å
24S75Confident78.6Confident42 Ų4266 Ų6629%0.29437%0.374SS..  trans-74.3165.1176.466.40000111.5E26 G27 R28S24-E26 PolarHBondContact O-N 3.17Å; S24-G27 WeakPolarHBondContact O-CA 3.05Å; S24-G27 PolarHBondContact O-N 2.5Å; S24-R28 PolarHBondContact N-O 3.08Å; S24-R28 PolarHBondContact OG-N 3.19Å
25D67.4Low78.8Confident180 Ų18068.5 Ų68.596%0.96336%0.363SS*.THydrogen-bonded Turntrans-58.9-19.8177.8-57.4-24.2000113.1
26E67.7Low78.9Confident143 Ų14363.9 Ų63.967%0.66834%0.342SS*.THydrogen-bonded Turntrans-86.9-0.6173.7-59.1-173.7-178.300114S24 R28S24-E26 PolarHBondContact O-N 3.17Å; E26-R28 IonicContact OE2-CZ 3.42Å; E26-R28 IonicContact OE2-NE 3.27Å; E26-R28 PolarHBondContact OE2-NE 3.48Å; E26-R28 IonicContact OE2-NH2 2.79Å; E26-R28 PolarHBondContact OE2-NH2 3.23Å
27G67.1Low78.8Confident26 Ų2665.3 Ų65.327%0.26835%0.35SS..SBendtrans83.518.1177.200000115.9S24S24-G27 WeakPolarHBondContact O-CA 3.05Å; S24-G27 PolarHBondContact O-N 2.5Å
28R76.5Confident78.8Confident124 Ų12464.8 Ų64.847%0.46834%0.335SS..EExtended strand (participates in β ladder)trans-96.6141.8178.2-54.5-174.2-153-172.18.6111.3V23 S24 E26 V37V23-R28 CarbonylContact C-O 3.59Å; V23-R28 VanDerWaalsContact CA-O 3.31Å; V23-R28 WeakPolarHBondContact CA-O 3.38Å; S24-R28 PolarHBondContact N-O 3.08Å; S24-R28 PolarHBondContact OG-N 3.19Å; E26-R28 IonicContact OE2-CZ 3.42Å; E26-R28 IonicContact OE2-NE 3.27Å; E26-R28 PolarHBondContact OE2-NE 3.48Å; E26-R28 IonicContact OE2-NH2 2.79Å; E26-R28 PolarHBondContact OE2-NH2 3.23Å; R28-V37 HydrophobicContact CB-CG1 4.25Å
29F81.3Confident77.9Confident23 Ų2368.8 Ų68.810%0.10135%0.354CS..EExtended strand (participates in β ladder)trans-79.9133.3175.1-78.3-102.7000111T6 Y9 W21 G22 V23 I38 R40T6-F29 HydrophobicContact CG2-CD1 4.43Å; T6-F29 HydrophobicContact CG2-CE1 3.92Å; Y9-F29 HydrophobicContact CD1-CD1 4.18Å; Y9-F29 HydrophobicContact CD1-CE1 4.33Å; Y9-F29 HydrophobicContact CG-CE1 4.44Å; W21-F29 HydrophobicContact CB-CD1 4.3Å; W21-F29 HydrophobicContact CE3-CB 4.41Å; G22-F29 CarbonylContact O-C 3.41Å; G22-F29 WeakPolarHBondContact O-CA 3.44Å; V23-F29 HydrophobicContact CG2-CD1 4.03Å; V23-F29 HydrophobicContact CG2-CD2 4.34Å; V23-F29 HydrophobicContact CG2-CE1 3.83Å; V23-F29 HydrophobicContact CG2-CE2 4.15Å; V23-F29 HydrophobicContact CG2-CG 4.29Å; V23-F29 HydrophobicContact CG2-CZ 3.89Å; F29-I38 HydrophobicContact CB-CD1 3.83Å; F29-I38 HydrophobicContact CB-CG1 3.58Å; F29-I38 PolarHBondContact O-N 3.41Å; F29-R40 WeakPolarHBondContact CD2-O 3.39Å
30Y85.7Confident77Confident58 Ų5872.5 Ų72.523%0.22736%0.36CS..EExtended strand (participates in β ladder)trans-133.5143.7172.871-85.1000110.7W21 G22 R32 N36W21-Y30 VanDerWaalsContact CE3-C 3.44Å; G22-Y30 PolarHBondContact N-O 3.29Å; G22-Y30 WeakPolarHBondContact O-CD1 3.23Å; G22-Y30 PolarHBondContact O-N 3.02Å; Y30-R32 HydrophobicContact CE2-CG 4.11Å; Y30-N36 CarbonylContact C-O 3.58Å; Y30-N36 WeakPolarHBondContact CA-O 3.48Å
31C85.1Confident75.8Confident0 Ų073.4 Ų73.40%037%0.368CS..EExtended strand (participates in β ladder)trans-73.1128.9174.7-179.50000109.2C13 C16 N20 W21 S33 H35 N36C13-C31 HydrophobicContact CB-CB 4.37Å; C16-C31 VanDerWaalsContact SG-SG 3.61Å; N20-C31 CarbonylContact O-C 3.55Å; N20-C31 WeakPolarHBondContact O-CA 3.18Å; W21-C31 HydrophobicContact CE3-CB 4.11Å; W21-C31 HydrophobicContact CH2-CB 4.36Å; W21-C31 HydrophobicContact CZ3-CB 3.94Å; C31-S33 VanDerWaalsContact C-N 3.27Å; C31-S33 PolarHBondContact O-N 3.16Å; C31-S33 PolarHBondContact SG-N 3.35Å; C31-H35 WeakPolarHBondContact O-CA 3.47Å; C31-H35 PolarHBondContact O-N 3.08Å; C31-N36 PolarHBondContact N-O 3.21Å
32R82Confident74.1Confident82 Ų8279.9 Ų79.931%0.30940%0.397SS..THydrogen-bonded Turntrans-73.4-21178.2-70.2-179.6171.2167.4-5.2113.4D2 N20 Y30D2-R32 IonicContact OD2-NH2 3.39Å; D2-R32 PolarHBondContact OD2-NH2 3.34Å; N20-R32 PolarHBondContact O-N 2.97Å; N20-R32 WeakPolarHBondContact OD1-CD 3.31Å; Y30-R32 HydrophobicContact CE2-CG 4.11Å
33S81.9Confident72.4Confident64 Ų6487 Ų8745%0.44843%0.43SS..THydrogen-bonded Turntrans-86.3-35.6-177.7-53.50000112.8C31C31-S33 VanDerWaalsContact C-N 3.27Å; C31-S33 PolarHBondContact O-N 3.16Å; C31-S33 PolarHBondContact SG-N 3.35Å
34C81.2Confident70.8Confident44 Ų4492.7 Ų92.730%0.29747%0.465SS..THydrogen-bonded Turntrans-127.63.9-17871.60000115.1C13 C16 N36C13-C34 VanDerWaalsContact SG-SG 3.63Å; C16-C34 HydrophobicContact CB-CB 3.91Å; C34-N36 PolarHBondContact O-N 2.95Å; C34-N36 VanDerWaalsContact SG-CB 3.58Å
35H81.6Confident68.9Low135 Ų13595.3 Ų95.363%0.62548%0.479SS*.  trans58.214-178.7-63.8-76.6000116C31 V37C31-H35 WeakPolarHBondContact O-CA 3.47Å; C31-H35 PolarHBondContact O-N 3.08Å; H35-V37 PolarHBondContact O-N 3.34Å
36N81.3Confident67.3Low44 Ų4493.4 Ų93.424%0.23547%0.468CS..  trans-64.6124.8173.4-174.543.8000110.5Q15 Y30 C31 C34Q15-N36 HydrophobicContact CG-CB 4.46Å; Y30-N36 CarbonylContact C-O 3.58Å; Y30-N36 WeakPolarHBondContact CA-O 3.48Å; C31-N36 PolarHBondContact N-O 3.21Å; C34-N36 PolarHBondContact O-N 2.95Å; C34-N36 VanDerWaalsContact SG-CB 3.58Å
37V81.4Confident65.7Low82 Ų8293.1 Ų93.150%0.49748%0.476SS..EExtended strand (participates in β ladder)trans-98.1130.1-178.5-175.80000109R28 H35R28-V37 HydrophobicContact CB-CG1 4.25Å; H35-V37 PolarHBondContact O-N 3.34Å
38I76.4Confident64.3Low35 Ų3598.6 Ų98.618%0.17950%0.5CS..EExtended strand (participates in β ladder)trans-105.4147.8175.461.6172000110.3Y9 W21 F29 R40Y9-I38 HydrophobicContact CE1-CD1 3.95Å; W21-I38 HydrophobicContact CE3-CD1 4.39Å; W21-I38 HydrophobicContact CH2-CD1 4.03Å; W21-I38 HydrophobicContact CH2-CG1 4.39Å; W21-I38 HydrophobicContact CH2-CG2 3.76Å; W21-I38 HydrophobicContact CZ3-CD1 3.92Å; W21-I38 HydrophobicContact CZ3-CG1 3.98Å; W21-I38 HydrophobicContact CZ3-CG2 3.94Å; F29-I38 HydrophobicContact CB-CD1 3.83Å; F29-I38 HydrophobicContact CB-CG1 3.58Å; F29-I38 PolarHBondContact O-N 3.41Å; I38-R40 HydrophobicContact CD1-CB 4.12Å; I38-R40 HydrophobicContact CG1-CB 4.33Å; I38-R40 PolarHBondContact O-N 3.15Å; I38-R40 VanDerWaalsContact O-N 3.1Å
39E60.2Low62.6Low194 Ų19498.6 Ų98.691%0.90751%0.513SS*.EExtended strand (participates in β ladder)trans-74.51.1-174.5-148.1175.1-165.500113.7T41E39-T41 PolarHBondContact O-N 3.39Å; E39-T41 VanDerWaalsContact O-N 3.12Å
40R61.2Low60.1Low149 Ų149106.8 Ų106.856%0.56255%0.549SS*.EExtended strand (participates in β ladder)trans-70.3110.7178.2-146177-167.1158.81.6109.1D11 F29 I38D11-R40 IonicContact OD2-NH1 3.73Å; F29-R40 WeakPolarHBondContact CD2-O 3.39Å; I38-R40 HydrophobicContact CD1-CB 4.12Å; I38-R40 HydrophobicContact CG1-CB 4.33Å; I38-R40 PolarHBondContact O-N 3.15Å; I38-R40 VanDerWaalsContact O-N 3.1Å
41T55.3Low57.6Low83 Ų83113.3 Ų113.351%0.50958%0.584SS.*EExtended strand (participates in β ladder)trans-89.8155.2167.250.60000108.9E39 E43E39-T41 PolarHBondContact O-N 3.39Å; E39-T41 VanDerWaalsContact O-N 3.12Å; T41-E43 VanDerWaalsContact C-N 3.26Å; T41-E43 PolarHBondContact O-N 2.77Å
42K47.7Very low55.1Low148 Ų148120.4 Ų120.464%0.64363%0.627SS**  trans-63.984.5179.3-172.7177.7-176.8168.20110.6V44K42-V44 PolarHBondContact O-N 3.15Å
43E44.1Very low52.9Low151 Ų151119.3 Ų119.371%0.70664%0.641SS**  trans-65.2122.2164.5-70.8-17316300107.9T41 V45T41-E43 VanDerWaalsContact C-N 3.26Å; T41-E43 PolarHBondContact O-N 2.77Å; E43-V45 HydrophobicContact CB-CG2 4Å; E43-V45 PolarHBondContact O-N 2.9Å
44V46.4Very low50.4Low140 Ų140123.2 Ų123.285%0.84866%0.663SS**  trans-72.680.8168.4-178.60000106.6K42 D46K42-V44 PolarHBondContact O-N 3.15Å; V44-D46 PolarHBondContact O-N 3.09Å
45V36.1Very low48.5Very low97 Ų97126.8 Ų126.859%0.58869%0.688SS**  trans-82.4101.6168-179.90000107E43 T47E43-V45 HydrophobicContact CB-CG2 4Å; E43-V45 PolarHBondContact O-N 2.9Å; V45-T47 PolarHBondContact O-N 2.88Å; V45-T47 VanDerWaalsContact O-N 3.08Å; V45-T47 PolarHBondContact O-OG1 3.3Å
46D33.4Very low46.1Very low140 Ų140132.1 Ų132.175%0.74970%0.702SS**  trans-46.2109.3160.1-151.7-1.3000108V44 N48V44-D46 PolarHBondContact O-N 3.09Å; D46-N48 PolarHBondContact O-N 3.28Å
47T34.4Very low44.1Very low136 Ų136136.9 Ų136.983%0.83473%0.733SS**SBendtrans-78.861.1-171.9-25.80000109.5V45V45-T47 PolarHBondContact O-N 2.88Å; V45-T47 VanDerWaalsContact O-N 3.08Å; V45-T47 PolarHBondContact O-OG1 3.3Å
48N37.7Very low41.7Very low142 Ų142138 Ų13876%0.75974%0.744SS**  trans-151.834.4-177.1-125.624.7000115.3D46D46-N48 PolarHBondContact O-N 3.28Å
49T39.5Very low39.9Very low123 Ų123141.6 Ų141.676%0.75577%0.773SS**  trans-15197.3162.7-49.20000110.3
50F30.4Very low38.6Very low196 Ų196139.3 Ų139.386%0.8677%0.765SS**  trans168.890.8134.2-101.1-77.8000108.2
51M31.6Very low37.6Very low195 Ų195138 Ų13896%0.96178%0.779SS**  trans-161.9128136.9-82.7-143.5142.100109
52V34.1Very low36.8Very low149 Ų149143 Ų14390%0.90379%0.793SS**  trans-70136.1176.71690000109.7
53G35.3Very low36.2Very low58 Ų58139.3 Ų139.360%0.59880%0.797SS**  trans99.3125.5149.600000117.7
54T29.7Very low35.8Very low147 Ų147138.4 Ų138.490%0.90280%0.802SS**  trans87.4105.2158.763.60000119.7
55S39.9Very low35.4Very low118 Ų118143.2 Ų143.283%0.82581%0.805SS**  trans-23.1122.6158-46.70000117.2
56R31.6Very low35.5Very low247 Ų247149.6 Ų149.693%0.93282%0.819SS**  trans-171.3110.6135.5-108.4167.3156.3161.7-4.7111.4
57V40.4Very low35.7Very low145 Ų145152.6 Ų152.688%0.87983%0.825SS**  trans-71.9125.4170.4176.10000108.6
58S30.6Very low35.8Very low104 Ų104155.7 Ų155.773%0.72783%0.827SS**  trans-129.8111.6158.3550000108.7I60S58-I60 PolarHBondContact O-N 2.84Å
59S37.7Very low36.4Very low112 Ų112152.7 Ų152.778%0.78381%0.81SS**  trans-75.4111.7178.9520000109.9
60I33.6Very low36.8Very low145 Ų145154.4 Ų154.474%0.74481%0.81SS**  trans-105.3109.1164.8-61.9177.2000107.7S58 K62S58-I60 PolarHBondContact O-N 2.84Å; I60-K62 PolarHBondContact O-N 3.49Å
61S39.8Very low38.1Very low121 Ų121151.7 Ų151.785%0.84680%0.8SS**  trans-66.690.3173.944.40000110.5G63S61-G63 PolarHBondContact O-N 2.85Å; S61-G63 VanDerWaalsContact O-N 3.09Å
62K38.5Very low39.7Very low189 Ų189143.7 Ų143.782%0.82277%0.768SS**  trans-74.299164.4-81.4-175.8178.1175.90108.7I60 T64I60-K62 PolarHBondContact O-N 3.49Å; K62-T64 PolarHBondContact O-N 2.85Å
63G34.5Very low41.9Very low70 Ų70142.8 Ų142.872%0.72275%0.748SS**  trans-47.5125.3169.200000110.6S61 R65S61-G63 PolarHBondContact O-N 2.85Å; S61-G63 VanDerWaalsContact O-N 3.09Å; G63-R65 PolarHBondContact O-N 3.38Å
64T36.1Very low44.1Very low132 Ų132147 Ų14781%0.8175%0.752SS**  trans-66.693179.3-370000108.6K62 R66K62-T64 PolarHBondContact O-N 2.85Å; T64-R66 PolarHBondContact O-N 3.43Å
65R39.2Very low46.9Very low241 Ų241140.2 Ų140.291%0.90971%0.71SS**  trans-62.595.2158.6-85.3-173.6176.9178.60106.3G63 K67G63-R65 PolarHBondContact O-N 3.38Å; R65-K67 PolarHBondContact O-N 3.02Å
66R36.8Very low49.1Very low232 Ų232137.4 Ų137.488%0.87568%0.684SS**  trans-51.7107164.7-82179170.1176.5-2.8106.3T64 K68T64-R66 PolarHBondContact O-N 3.43Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 PolarHBondContact O-N 2.87Å
67K38.7Very low51.9Low202 Ų202125.6 Ų125.688%0.87864%0.64SS**  trans-53.8107.2159.3-94-177172.9179.80105.3R65 L69R65-K67 PolarHBondContact O-N 3.02Å; K67-L69 PolarHBondContact O-N 3.31Å
68K37Very low54.3Low201 Ų201119.1 Ų119.187%0.87460%0.601SS**  trans-54.9112.5172.7-136.9177.6-177.4-175.90104.5R66 E70R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 PolarHBondContact O-N 2.87Å; K68-E70 PolarHBondContact O-N 3.08Å
69L49.6Very low57.2Low79 Ų79116.7 Ų116.741%0.41458%0.578SS.*  trans-55.9141.6175.2-146.778.3000105.6K67 Q71K67-L69 PolarHBondContact O-N 3.31Å; L69-Q71 HydrophobicContact CB-CG 4.24Å; L69-Q71 HydrophobicContact CD2-CG 4.24Å; L69-Q71 PolarHBondContact O-N 3.42Å
70E48.3Very low59.8Low159 Ų159111.4 Ų111.474%0.74354%0.541SS*.  trans-65.371.2157.3-69.7-179.3177.700107.6K68 G72 K254K68-E70 PolarHBondContact O-N 3.08Å; E70-G72 PolarHBondContact O-N 2.96Å; E70-K254 PolarHBondContact O-NZ 3.3Å; E70-K254 IonicContact OE2-NZ 2.72Å; E70-K254 PolarHBondContact OE2-NZ 3.48Å
71Q57.4Low62.8Low140 Ų140104.5 Ų104.565%0.65451%0.505SS*.  trans-63.4114172.5-107.7163.6-34.500104.6L69L69-Q71 HydrophobicContact CB-CG 4.24Å; L69-Q71 HydrophobicContact CD2-CG 4.24Å; L69-Q71 PolarHBondContact O-N 3.42Å
72G64.6Low65.4Low27 Ų27103.4 Ų103.428%0.27849%0.487SS..  trans-57.7-179.5164.700000110.3E70 E252E70-G72 PolarHBondContact O-N 2.96Å; G72-E252 CarbonylContact C-O 3.57Å; G72-E252 WeakPolarHBondContact CA-O 3.42Å
73R80.6Confident68.1Low130 Ų13096.5 Ų96.549%0.49146%0.457SS..  trans-61.6151.8178.484.7-179.6-155.8-160.76.8110W75 E79 E252R73-W75 HydrophobicContact CG-CB 4.45Å; R73-W75 PolarHBondContact O-N 3.14Å; R73-E79 IonicContact CZ-OE1 2.82Å; R73-E79 IonicContact NH2-OE1 3.38Å; R73-E79 PolarHBondContact NH2-OE1 3.3Å; R73-E252 HydrophobicContact CB-CB 4.2Å; R73-E252 HydrophobicContact CG-CB 4.14Å; R73-E252 PolarHBondContact N-O 2.9Å
74E81.8Confident71.1Confident147 Ų14793.2 Ų93.269%0.68742%0.423SS*.  trans-66.4128.8166.3-79.3-175.8175.100109.7I189E74-I189 HydrophobicContact CB-CD1 3.64Å; E74-I189 HydrophobicContact CB-CG1 4.18Å; E74-I189 HydrophobicContact CG-CD1 4.08Å; E74-I189 HydrophobicContact CG-CG1 4.27Å
75W87.7Confident74Confident3 Ų387.3 Ų87.31%0.01139%0.386CS..BIsolated β-bridgetrans-143160.1-177.867.7-84.9000111.7R73 E79 S188 I189 M253 L255 D259 F263R73-W75 HydrophobicContact CG-CB 4.45Å; R73-W75 PolarHBondContact O-N 3.14Å; W75-E79 WeakPolarHBondContact CA-OE2 3.48Å; W75-E79 VanDerWaalsContact CB-OE2 3.26Å; W75-E79 WeakPolarHBondContact CB-OE2 3.46Å; W75-S188 CarbonylContact O-C 3.48Å; W75-S188 WeakPolarHBondContact O-CA 3.35Å; W75-S188 WeakPolarHBondContact O-CB 3.34Å; W75-I189 PolarHBondContact O-N 3.32Å; W75-M253 HydrophobicContact CD2-CE 3.71Å; W75-M253 HydrophobicContact CD2-CG 3.49Å; W75-M253 VanDerWaalsContact CD2-CG 3.49Å; W75-M253 HydrophobicContact CD2-SD 4.14Å; W75-M253 VanDerWaalsContact CE2-CG 3.49Å; W75-M253 HydrophobicContact CE3-CE 3.12Å; W75-M253 HydrophobicContact CE3-CG 3.95Å; W75-M253 HydrophobicContact CE3-SD 4.03Å; W75-M253 HydrophobicContact CG-CG 3.77Å; W75-M253 HydrophobicContact CH2-CE 3.48Å; W75-M253 VanDerWaalsContact CH2-CE 3.48Å; W75-M253 HydrophobicContact CH2-CG 4.41Å; W75-M253 HydrophobicContact CZ2-CE 3.98Å; W75-M253 HydrophobicContact CZ2-CG 3.97Å; W75-M253 HydrophobicContact CZ3-CE 3.02Å; W75-M253 HydrophobicContact CZ3-CG 4.41Å; W75-M253 HydrophobicContact CZ3-SD 4.42Å; W75-L255 HydrophobicContact CH2-CD2 3.54Å; W75-L255 HydrophobicContact CH2-CG 4.48Å; W75-L255 HydrophobicContact CZ2-CD2 3.59Å; W75-L255 HydrophobicContact CZ2-CG 4.24Å; W75-D259 HydrophobicContact CH2-CB 4.4Å; W75-F263 AromaticContact CH2-CE2 3.71Å; W75-F263 HydrophobicContact CH2-CE2 3.71Å; W75-F263 HydrophobicContact CH2-CZ 4.21Å; W75-F263 HydrophobicContact CZ3-CE2 4.06Å; W75-F263 HydrophobicContact CZ3-CZ 4.1Å
76M87.6Confident76.7Confident59 Ų5981.1 Ų81.129%0.29137%0.366SS..  trans-109.5148.1-179.6-63.4-177.4-69.200112C78 E79 D190M76-C78 PolarHBondContact O-N 3.29Å; M76-E79 HydrophobicContact CB-CG 4.43Å; M76-E79 PolarHBondContact N-OE2 3.19Å; M76-E79 VanDerWaalsContact O-CB 3.32Å; M76-E79 WeakPolarHBondContact O-CB 3.2Å; M76-E79 PolarHBondContact O-N 3.06Å; M76-D190 WeakPolarHBondContact CA-OD1 3.25Å
77V89.4Confident79.6Confident0 Ų072.4 Ų72.40%034%0.335CS..Hα-helixtrans-52.1-37.1-179.8171.40000112.5E79 G80 F81 S188 D190 A191 Y194 I262 F263V77-E79 VanDerWaalsContact C-N 3.31Å; V77-E79 PolarHBondContact O-N 2.79Å; V77-G80 PolarHBondContact O-N 3.41Å; V77-G80 VanDerWaalsContact O-N 3.12Å; V77-F81 HydrophobicContact CG1-CD2 3.83Å; V77-F81 HydrophobicContact CG1-CE2 3.49Å; V77-F81 VanDerWaalsContact CG1-CE2 3.49Å; V77-F81 WeakPolarHBondContact O-CD2 3.34Å; V77-F81 PolarHBondContact O-N 3.01Å; V77-S188 WeakPolarHBondContact CG2-OG 3.45Å; V77-D190 WeakPolarHBondContact CG2-OD1 3.49Å; V77-D190 PolarHBondContact N-OD1 2.73Å; V77-A191 HydrophobicContact CG2-CB 4.23Å; V77-Y194 HydrophobicContact CB-CD2 3.82Å; V77-Y194 HydrophobicContact CB-CE2 4.01Å; V77-Y194 HydrophobicContact CB-CG 4.31Å; V77-Y194 HydrophobicContact CG1-CD1 4.15Å; V77-Y194 HydrophobicContact CG1-CD2 3.62Å; V77-Y194 HydrophobicContact CG1-CE1 3.98Å; V77-Y194 HydrophobicContact CG1-CE2 3.44Å; V77-Y194 VanDerWaalsContact CG1-CE2 3.44Å; V77-Y194 HydrophobicContact CG1-CG 3.97Å; V77-Y194 HydrophobicContact CG2-CD2 4.2Å; V77-Y194 HydrophobicContact CG2-CG 4.26Å; V77-I262 HydrophobicContact CG1-CD1 4.08Å; V77-I262 HydrophobicContact CG1-CG2 3.93Å; V77-I262 HydrophobicContact CG2-CD1 3.67Å; V77-F263 HydrophobicContact CG1-CE2 4.49Å; V77-F263 HydrophobicContact CG1-CZ 3.97Å
78C90.8Very high82.4Confident8 Ų862.8 Ų62.85%0.05429%0.293CS..Hα-helixtrans-62.5-33.2176.463.40000113.5M76 G80 F81 Q82 W110 L114M76-C78 PolarHBondContact O-N 3.29Å; C78-G80 VanDerWaalsContact C-N 3.28Å; C78-G80 PolarHBondContact O-N 3.39Å; C78-F81 PolarHBondContact O-N 3.44Å; C78-Q82 WeakPolarHBondContact O-CB 3.46Å; C78-Q82 PolarHBondContact O-N 2.6Å; C78-W110 HydrophobicContact CB-CH2 4.32Å; C78-W110 HydrophobicContact CB-CZ2 4.33Å; C78-W110 VanDerWaalsContact O-CZ2 3.28Å; C78-W110 WeakPolarHBondContact O-CZ2 3.46Å; C78-L114 HydrophobicContact CB-CD2 3.9Å
79E91.8Very high85.3Confident54 Ų5453.2 Ų53.225%0.25225%0.252SS..Hα-helixtrans-65.2-34.6174.2-63.1-179.1101.500111.3R73 W75 M76 V77 Q82 F83R73-E79 IonicContact CZ-OE1 2.82Å; R73-E79 IonicContact NH2-OE1 3.38Å; R73-E79 PolarHBondContact NH2-OE1 3.3Å; W75-E79 WeakPolarHBondContact CA-OE2 3.48Å; W75-E79 VanDerWaalsContact CB-OE2 3.26Å; W75-E79 WeakPolarHBondContact CB-OE2 3.46Å; M76-E79 HydrophobicContact CB-CG 4.43Å; M76-E79 PolarHBondContact N-OE2 3.19Å; M76-E79 VanDerWaalsContact O-CB 3.32Å; M76-E79 WeakPolarHBondContact O-CB 3.2Å; M76-E79 PolarHBondContact O-N 3.06Å; V77-E79 VanDerWaalsContact C-N 3.31Å; V77-E79 PolarHBondContact O-N 2.79Å; E79-Q82 WeakPolarHBondContact O-CB 3.39Å; E79-Q82 PolarHBondContact O-N 3.13Å; E79-F83 PolarHBondContact O-N 3.42Å
80G92.9Very high87.5Confident0 Ų052.8 Ų52.80%025%0.248CC..Hα-helixtrans-68.1-41.7175.100000113.2V77 C78 Q82 F83 I84V77-G80 PolarHBondContact O-N 3.41Å; V77-G80 VanDerWaalsContact O-N 3.12Å; C78-G80 VanDerWaalsContact C-N 3.28Å; C78-G80 PolarHBondContact O-N 3.39Å; G80-Q82 VanDerWaalsContact C-N 3.32Å; G80-Q82 PolarHBondContact O-N 3.48Å; G80-F83 WeakPolarHBondContact O-CB 3.43Å; G80-F83 PolarHBondContact O-N 3.43Å; G80-I84 WeakPolarHBondContact O-CG1 3.49Å; G80-I84 PolarHBondContact O-N 3.31Å
81F95.3Very high89.8Confident0 Ų046 Ų460%022%0.219CC..Hα-helixtrans-65.7-36.3172-73-62.5000112.5V77 C78 F83 I84 L85 W110 Y194 M206 M208 T211 I262 F263V77-F81 HydrophobicContact CG1-CD2 3.83Å; V77-F81 HydrophobicContact CG1-CE2 3.49Å; V77-F81 VanDerWaalsContact CG1-CE2 3.49Å; V77-F81 WeakPolarHBondContact O-CD2 3.34Å; V77-F81 PolarHBondContact O-N 3.01Å; C78-F81 PolarHBondContact O-N 3.44Å; F81-F83 VanDerWaalsContact C-N 3.3Å; F81-F83 PolarHBondContact O-N 3.12Å; F81-I84 PolarHBondContact O-N 2.91Å; F81-L85 WeakPolarHBondContact O-CB 3.41Å; F81-L85 WeakPolarHBondContact O-CG 3.5Å; F81-L85 PolarHBondContact O-N 3.29Å; F81-W110 HydrophobicContact CB-CH2 3.99Å; F81-Y194 HydrophobicContact CE2-CE1 4.23Å; F81-Y194 AromaticContact CE2-CZ 3.79Å; F81-Y194 WeakPolarHBondContact CE2-OH 3.37Å; F81-M206 HydrophobicContact CB-CG 3.84Å; F81-M206 HydrophobicContact CD1-CG 3.73Å; F81-M206 HydrophobicContact CD2-CB 3.72Å; F81-M206 HydrophobicContact CD2-CG 3.71Å; F81-M206 HydrophobicContact CE1-CG 4.17Å; F81-M206 HydrophobicContact CE2-CB 3.94Å; F81-M206 HydrophobicContact CE2-CG 4.15Å; F81-M206 HydrophobicContact CG-CB 4.04Å; F81-M206 HydrophobicContact CG-CG 3.47Å; F81-M206 VanDerWaalsContact CG-CG 3.47Å; F81-M206 HydrophobicContact CZ-CB 4.44Å; F81-M206 HydrophobicContact CZ-CG 4.35Å; F81-M208 HydrophobicContact CD1-SD 4.45Å; F81-M208 HydrophobicContact CE1-CG 4.43Å; F81-M208 HydrophobicContact CE1-SD 3.92Å; F81-T211 HydrophobicContact CD1-CG2 3.66Å; F81-T211 HydrophobicContact CE1-CG2 4.28Å; F81-I262 HydrophobicContact CE2-CG2 3.73Å; F81-I262 HydrophobicContact CZ-CG2 3.51Å; F81-F263 HydrophobicContact CD1-CD1 4.38Å; F81-F263 AromaticContact CD1-CE1 3.93Å; F81-F263 HydrophobicContact CD1-CE1 3.93Å; F81-F263 HydrophobicContact CD2-CE1 4.05Å; F81-F263 HydrophobicContact CD2-CZ 4.44Å; F81-F263 HydrophobicContact CE1-CD1 4.07Å; F81-F263 AromaticContact CE1-CE1 3.89Å; F81-F263 HydrophobicContact CE1-CE1 3.89Å; F81-F263 HydrophobicContact CE2-CE1 4Å; F81-F263 HydrophobicContact CE2-CZ 4.35Å; F81-F263 HydrophobicContact CG-CE1 4.02Å; F81-F263 HydrophobicContact CZ-CD1 4.3Å; F81-F263 AromaticContact CZ-CE1 3.94Å; F81-F263 HydrophobicContact CZ-CE1 3.94Å
82Q95.5Very high91.7Very high98 Ų9839.4 Ų39.446%0.45819%0.188SC..Hα-helixtrans-60.7-41.4173.5-177173.2-5300111.5C78 E79 G80 L85 K86 W110C78-Q82 WeakPolarHBondContact O-CB 3.46Å; C78-Q82 PolarHBondContact O-N 2.6Å; E79-Q82 WeakPolarHBondContact O-CB 3.39Å; E79-Q82 PolarHBondContact O-N 3.13Å; G80-Q82 VanDerWaalsContact C-N 3.32Å; G80-Q82 PolarHBondContact O-N 3.48Å; Q82-L85 PolarHBondContact O-N 3.05Å; Q82-K86 WeakPolarHBondContact O-CB 3.44Å; Q82-K86 PolarHBondContact O-N 2.85Å; Q82-W110 HydrophobicContact CB-CZ2 3.84Å
83F95.3Very high93.2Very high45 Ų4540.4 Ų40.420%0.19719%0.187CC..Hα-helixtrans-62.5-47.1176.4-170.5-86.9000111.7E79 G80 F81 K86 H87 D248 F249 P250E79-F83 PolarHBondContact O-N 3.42Å; G80-F83 WeakPolarHBondContact O-CB 3.43Å; G80-F83 PolarHBondContact O-N 3.43Å; F81-F83 VanDerWaalsContact C-N 3.3Å; F81-F83 PolarHBondContact O-N 3.12Å; F83-K86 WeakPolarHBondContact O-CB 3.44Å; F83-K86 PolarHBondContact O-N 3.29Å; F83-H87 AromaticContact CD1-CE1 3.63Å; F83-H87 AromaticContact CD1-ND1 3.55Å; F83-H87 AromaticContact CE1-CE1 3.06Å; F83-H87 WeakPolarHBondContact CE1-CE1 3.17Å; F83-H87 AromaticContact CE1-ND1 3.4Å; F83-H87 WeakPolarHBondContact CE1-ND1 3.32Å; F83-H87 AromaticContact CE1-NE2 3.56Å; F83-H87 AromaticContact CE2-CE1 3.5Å; F83-H87 AromaticContact CZ-CE1 2.99Å; F83-H87 WeakPolarHBondContact CZ-CE1 3.3Å; F83-H87 AromaticContact CZ-ND1 3.79Å; F83-H87 AromaticContact CZ-NE2 3.49Å; F83-H87 WeakPolarHBondContact CZ-NE2 3.37Å; F83-H87 PolarHBondContact O-N 3.03Å; F83-H87 VanDerWaalsContact O-N 3.09Å; F83-H87 PolarHBondContact O-ND1 2.85Å; F83-D248 HydrophobicContact CE1-CB 3.99Å; F83-D248 WeakPolarHBondContact CE1-O 3.35Å; F83-D248 WeakPolarHBondContact CZ-O 3.42Å; F83-F249 HydrophobicContact CB-CD1 4.43Å; F83-F249 HydrophobicContact CB-CE1 4.13Å; F83-F249 AromaticContact CD1-CD1 3.4Å; F83-F249 HydrophobicContact CD1-CD1 3.4Å; F83-F249 AromaticContact CD1-CE1 3.63Å; F83-F249 HydrophobicContact CD1-CE1 3.63Å; F83-F249 AromaticContact CE1-CD1 3.8Å; F83-F249 HydrophobicContact CE1-CD1 3.8Å; F83-F249 HydrophobicContact CE1-CE1 4.41Å; F83-F249 HydrophobicContact CG-CD1 4.04Å; F83-F249 HydrophobicContact CG-CE1 4.18Å; F83-P250 HydrophobicContact CE2-CG 4.47Å
84I96.4Very high93.9Very high1 Ų138.5 Ų38.51%0.00520%0.199CC..Hα-helixtrans-61.3-48.3177.1-65.3173.4000110.7G80 F81 K86 H87 Q88 M208 A245 F249 F263G80-I84 WeakPolarHBondContact O-CG1 3.49Å; G80-I84 PolarHBondContact O-N 3.31Å; F81-I84 PolarHBondContact O-N 2.91Å; I84-K86 VanDerWaalsContact C-N 3.27Å; I84-K86 PolarHBondContact O-N 2.86Å; I84-H87 PolarHBondContact O-N 2.8Å; I84-H87 VanDerWaalsContact O-N 3.16Å; I84-Q88 HydrophobicContact CG2-CG 4.25Å; I84-Q88 WeakPolarHBondContact O-CB 3.45Å; I84-Q88 VanDerWaalsContact O-CG 3.31Å; I84-Q88 WeakPolarHBondContact O-CG 3.32Å; I84-Q88 PolarHBondContact O-N 2.95Å; I84-M208 HydrophobicContact CD1-CE 3.95Å; I84-M208 HydrophobicContact CD1-SD 3.62Å; I84-M208 HydrophobicContact CG2-CE 4.27Å; I84-A245 HydrophobicContact CD1-CB 4.39Å; I84-A245 HydrophobicContact CG1-CB 4.2Å; I84-A245 HydrophobicContact CG2-CB 4.27Å; I84-F249 HydrophobicContact CD1-CE1 4.15Å; I84-F249 HydrophobicContact CD1-CZ 3.99Å; I84-F249 HydrophobicContact CG1-CE1 3.73Å; I84-F249 HydrophobicContact CG1-CZ 4.06Å; I84-F263 HydrophobicContact CD1-CD1 3.65Å; I84-F263 HydrophobicContact CD1-CE1 4.17Å
85L97.6Very high94.4Very high7 Ų733.8 Ų33.84%0.03718%0.177CC..Hα-helixtrans-57.9-40.4177.4-80.9168.4000111.9F81 Q82 Q88 A89 L106 W110 T211 L214F81-L85 WeakPolarHBondContact O-CB 3.41Å; F81-L85 WeakPolarHBondContact O-CG 3.5Å; F81-L85 PolarHBondContact O-N 3.29Å; Q82-L85 PolarHBondContact O-N 3.05Å; L85-Q88 PolarHBondContact O-N 3.19Å; L85-A89 WeakPolarHBondContact O-CB 3.43Å; L85-A89 PolarHBondContact O-N 3.31Å; L85-L106 HydrophobicContact CD2-CD1 4.49Å; L85-W110 HydrophobicContact CD1-CD2 3.88Å; L85-W110 HydrophobicContact CD1-CE3 3.48Å; L85-W110 VanDerWaalsContact CD1-CE3 3.48Å; L85-W110 HydrophobicContact CD1-CG 4.46Å; L85-W110 HydrophobicContact CD1-CZ3 3.84Å; L85-T211 HydrophobicContact CD2-CG2 4.42Å; L85-T211 HydrophobicContact CG-CG2 4.27Å; L85-L214 HydrophobicContact CD1-CD2 3.87Å; L85-L214 HydrophobicContact CD2-CB 4.41Å; L85-L214 HydrophobicContact CD2-CD2 4.13Å
86K96.6Very high94.6Very high111 Ų11136.7 Ų36.748%0.48321%0.209SC..Hα-helixtrans-61.8-45.5176.4-177.3-176.3170.4-171.50111.6Q82 F83 I84 A89 E90Q82-K86 WeakPolarHBondContact O-CB 3.44Å; Q82-K86 PolarHBondContact O-N 2.85Å; F83-K86 WeakPolarHBondContact O-CB 3.44Å; F83-K86 PolarHBondContact O-N 3.29Å; I84-K86 VanDerWaalsContact C-N 3.27Å; I84-K86 PolarHBondContact O-N 2.86Å; K86-A89 PolarHBondContact O-N 3Å; K86-E90 WeakPolarHBondContact CE-OE1 3.42Å; K86-E90 WeakPolarHBondContact CG-OE1 3.34Å; K86-E90 IonicContact NZ-OE1 3.63Å; K86-E90 WeakPolarHBondContact O-CB 3.32Å; K86-E90 WeakPolarHBondContact O-CG 3.05Å; K86-E90 PolarHBondContact O-N 2.83Å
87H96.6Very high95Very high49 Ų4934.1 Ų34.123%0.22720%0.196CC..Hα-helixtrans-68-39.3178.8-74.264.6000112F83 I84 A89 E90 A91 P241F83-H87 AromaticContact CD1-CE1 3.63Å; F83-H87 AromaticContact CD1-ND1 3.55Å; F83-H87 AromaticContact CE1-CE1 3.06Å; F83-H87 WeakPolarHBondContact CE1-CE1 3.17Å; F83-H87 AromaticContact CE1-ND1 3.4Å; F83-H87 WeakPolarHBondContact CE1-ND1 3.32Å; F83-H87 AromaticContact CE1-NE2 3.56Å; F83-H87 AromaticContact CE2-CE1 3.5Å; F83-H87 AromaticContact CZ-CE1 2.99Å; F83-H87 WeakPolarHBondContact CZ-CE1 3.3Å; F83-H87 AromaticContact CZ-ND1 3.79Å; F83-H87 AromaticContact CZ-NE2 3.49Å; F83-H87 WeakPolarHBondContact CZ-NE2 3.37Å; F83-H87 PolarHBondContact O-N 3.03Å; F83-H87 VanDerWaalsContact O-N 3.09Å; F83-H87 PolarHBondContact O-ND1 2.85Å; I84-H87 PolarHBondContact O-N 2.8Å; I84-H87 VanDerWaalsContact O-N 3.16Å; H87-A89 VanDerWaalsContact C-N 3.33Å; H87-A89 PolarHBondContact O-N 3.2Å; H87-E90 PolarHBondContact O-N 3.13Å; H87-A91 WeakPolarHBondContact O-CB 3.4Å; H87-A91 PolarHBondContact O-N 2.86Å; H87-P241 HydrophobicContact CB-CG 4.33Å
88Q97.8Very high95.1Very high0 Ų036.3 Ų36.30%021%0.211CC..Hα-helixtrans-61.1-42.8173.2-71.8176.8-18.300111.4I84 L85 A91 L92 T211 I240 P241I84-Q88 HydrophobicContact CG2-CG 4.25Å; I84-Q88 WeakPolarHBondContact O-CB 3.45Å; I84-Q88 VanDerWaalsContact O-CG 3.31Å; I84-Q88 WeakPolarHBondContact O-CG 3.32Å; I84-Q88 PolarHBondContact O-N 2.95Å; L85-Q88 PolarHBondContact O-N 3.19Å; Q88-A91 PolarHBondContact O-N 3.44Å; Q88-L92 WeakPolarHBondContact O-CG 3.29Å; Q88-L92 PolarHBondContact O-N 3.12Å; Q88-L92 VanDerWaalsContact O-N 3.09Å; Q88-T211 PolarHBondContact NE2-OG1 3.27Å; Q88-T211 PolarHBondContact OE1-OG1 3.2Å; Q88-I240 HydrophobicContact CB-CG2 4.17Å; Q88-I240 HydrophobicContact CG-CG2 3.86Å; Q88-P241 WeakPolarHBondContact CG-O 3.23Å; Q88-P241 PolarHBondContact NE2-O 2.8Å
89A97.6Very high95.3Very high1 Ų139.8 Ų39.81%0.00823%0.234CC..Hα-helixtrans-65.7-4217600000112L85 K86 H87 A91 L92 L93 F101 K102 L106L85-A89 WeakPolarHBondContact O-CB 3.43Å; L85-A89 PolarHBondContact O-N 3.31Å; K86-A89 PolarHBondContact O-N 3Å; H87-A89 VanDerWaalsContact C-N 3.33Å; H87-A89 PolarHBondContact O-N 3.2Å; A89-A91 VanDerWaalsContact C-N 3.35Å; A89-A91 PolarHBondContact O-N 3.48Å; A89-L92 WeakPolarHBondContact O-CB 3.38Å; A89-L92 PolarHBondContact O-N 2.87Å; A89-L93 WeakPolarHBondContact O-CG 3.36Å; A89-L93 PolarHBondContact O-N 3.04Å; A89-F101 HydrophobicContact CB-CE1 4.33Å; A89-K102 HydrophobicContact CB-CB 4.38Å; A89-K102 HydrophobicContact CB-CD 4.14Å; A89-K102 HydrophobicContact CB-CG 3.95Å; A89-L106 HydrophobicContact CB-CD2 3.68Å
90E97Very high95.4Very high70 Ų7043.3 Ų43.333%0.32725%0.25SC..Hα-helixtrans-63.9-39.4177.6-76.2165.4-175.600112.3K86 H87 L92 L93 A94 K102K86-E90 WeakPolarHBondContact CE-OE1 3.42Å; K86-E90 WeakPolarHBondContact CG-OE1 3.34Å; K86-E90 IonicContact NZ-OE1 3.63Å; K86-E90 WeakPolarHBondContact O-CB 3.32Å; K86-E90 WeakPolarHBondContact O-CG 3.05Å; K86-E90 PolarHBondContact O-N 2.83Å; H87-E90 PolarHBondContact O-N 3.13Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-L93 PolarHBondContact O-N 2.98Å; E90-A94 WeakPolarHBondContact O-CB 3.42Å; E90-A94 PolarHBondContact O-N 3.37Å; E90-K102 IonicContact OE1-NZ 3.38Å; E90-K102 PolarHBondContact OE1-NZ 3.01Å
91A96.3Very high95.5Very high17 Ų1743.3 Ų43.314%0.1425%0.25CC..Hα-helixtrans-61.1-42.5171.400000112.1H87 Q88 A89 A94 M95 H239 I240H87-A91 WeakPolarHBondContact O-CB 3.4Å; H87-A91 PolarHBondContact O-N 2.86Å; Q88-A91 PolarHBondContact O-N 3.44Å; A89-A91 VanDerWaalsContact C-N 3.35Å; A89-A91 PolarHBondContact O-N 3.48Å; A91-A94 PolarHBondContact O-N 3.07Å; A91-M95 WeakPolarHBondContact O-CE 3.45Å; A91-M95 WeakPolarHBondContact O-CG 3.44Å; A91-M95 PolarHBondContact O-N 3.42Å; A91-H239 WeakPolarHBondContact CB-O 3.2Å; A91-I240 HydrophobicContact CB-CG1 4.35Å
92L96.8Very high95.5Very high0 Ų045.3 Ų45.30%026%0.259CS..Hα-helixtrans-64.2-41.6176-72.4165000112.3Q88 A89 E90 A94 M95 V97 F101 C215 L219 I226 L231 I240Q88-L92 WeakPolarHBondContact O-CG 3.29Å; Q88-L92 PolarHBondContact O-N 3.12Å; Q88-L92 VanDerWaalsContact O-N 3.09Å; A89-L92 WeakPolarHBondContact O-CB 3.38Å; A89-L92 PolarHBondContact O-N 2.87Å; E90-L92 VanDerWaalsContact C-N 3.35Å; L92-A94 VanDerWaalsContact C-N 3.35Å; L92-M95 HydrophobicContact CD2-CE 3.77Å; L92-M95 HydrophobicContact CG-CE 4.34Å; L92-M95 PolarHBondContact O-N 3.14Å; L92-M95 VanDerWaalsContact O-N 3.13Å; L92-V97 HydrophobicContact CB-CB 4.45Å; L92-V97 HydrophobicContact CB-CG2 4.16Å; L92-V97 WeakPolarHBondContact O-CB 3.43Å; L92-V97 WeakPolarHBondContact O-CG2 3.28Å; L92-V97 PolarHBondContact O-N 2.9Å; L92-F101 HydrophobicContact CB-CE1 4.22Å; L92-F101 HydrophobicContact CD1-CE1 3.76Å; L92-F101 HydrophobicContact CD1-CZ 3.64Å; L92-C215 HydrophobicContact CD1-CB 4.3Å; L92-L219 HydrophobicContact CD1-CD1 4.44Å; L92-L219 HydrophobicContact CD2-CD1 4.29Å; L92-I226 HydrophobicContact CD2-CD1 3.94Å; L92-L231 HydrophobicContact CD2-CD1 4.32Å; L92-I240 HydrophobicContact CD2-CD1 3.79Å; L92-I240 HydrophobicContact CG-CD1 4.24Å
93L96.1Very high95.4Very high48 Ų4845.4 Ų45.425%0.25126%0.262SS..Hα-helixtrans-63.4-40.1175-67.4-178.5000112.1A89 E90 M95 G96 V97 K102A89-L93 WeakPolarHBondContact O-CG 3.36Å; A89-L93 PolarHBondContact O-N 3.04Å; E90-L93 PolarHBondContact O-N 2.98Å; L93-M95 PolarHBondContact O-N 3.46Å; L93-G96 PolarHBondContact O-N 3.47Å; L93-V97 HydrophobicContact CD2-CB 4.5Å; L93-V97 HydrophobicContact CD2-CG1 4.49Å; L93-V97 VanDerWaalsContact CD2-O 3.26Å; L93-V97 WeakPolarHBondContact CD2-O 3.42Å; L93-K102 HydrophobicContact CD1-CB 4.1Å; L93-K102 HydrophobicContact CD1-CD 3.54Å; L93-K102 HydrophobicContact CD1-CG 4.47Å; L93-K102 HydrophobicContact CD2-CB 4.48Å
94A94.8Very high95.3Very high90 Ų9048.3 Ų48.374%0.74428%0.28SS*.Hα-helixtrans-62.5-21.6175.600000113E90 A91 L92E90-A94 WeakPolarHBondContact O-CB 3.42Å; E90-A94 PolarHBondContact O-N 3.37Å; A91-A94 PolarHBondContact O-N 3.07Å; L92-A94 VanDerWaalsContact C-N 3.35Å
95M92.8Very high95.4Very high48 Ų4848.9 Ų48.924%0.23628%0.283CS..THydrogen-bonded Turntrans-89.63.7174.1-66-174.7-68.400113.7A91 L92 L93 F234 H239 I240 P466A91-M95 WeakPolarHBondContact O-CE 3.45Å; A91-M95 WeakPolarHBondContact O-CG 3.44Å; A91-M95 PolarHBondContact O-N 3.42Å; L92-M95 HydrophobicContact CD2-CE 3.77Å; L92-M95 HydrophobicContact CG-CE 4.34Å; L92-M95 PolarHBondContact O-N 3.14Å; L92-M95 VanDerWaalsContact O-N 3.13Å; L93-M95 PolarHBondContact O-N 3.46Å; M95-F234 HydrophobicContact CE-CD2 3.98Å; M95-F234 HydrophobicContact CE-CE2 4.4Å; M95-F234 HydrophobicContact CE-CG 4.38Å; M95-F234 HydrophobicContact SD-CD1 4.3Å; M95-F234 HydrophobicContact SD-CD2 3.97Å; M95-F234 HydrophobicContact SD-CE1 4.4Å; M95-F234 HydrophobicContact SD-CE2 4.08Å; M95-F234 HydrophobicContact SD-CG 4.08Å; M95-F234 HydrophobicContact SD-CZ 4.3Å; M95-H239 HydrophobicContact SD-CB 4.39Å; M95-I240 HydrophobicContact CE-CD1 3.92Å; M95-I240 HydrophobicContact CE-CG1 3.81Å; M95-P466 HydrophobicContact CG-CB 4.1Å; M95-P466 HydrophobicContact CG-CG 3.72Å; M95-P466 HydrophobicContact SD-CB 3.67Å; M95-P466 HydrophobicContact SD-CG 3.96Å
96G92.4Very high95.4Very high65 Ų6548.9 Ų48.967%0.6728%0.283SS*.THydrogen-bonded Turntrans98.58.617400000115.8L93L93-G96 PolarHBondContact O-N 3.47Å
97V94.4Very high95.4Very high5 Ų545.5 Ų45.53%0.0327%0.273CS..  trans-62.8141.3171.2172.10000110.4L92 L93 F101 L219 E224 I226L92-V97 HydrophobicContact CB-CB 4.45Å; L92-V97 HydrophobicContact CB-CG2 4.16Å; L92-V97 WeakPolarHBondContact O-CB 3.43Å; L92-V97 WeakPolarHBondContact O-CG2 3.28Å; L92-V97 PolarHBondContact O-N 2.9Å; L93-V97 HydrophobicContact CD2-CB 4.5Å; L93-V97 HydrophobicContact CD2-CG1 4.49Å; L93-V97 VanDerWaalsContact CD2-O 3.26Å; L93-V97 WeakPolarHBondContact CD2-O 3.42Å; V97-F101 HydrophobicContact CG1-CB 3.57Å; V97-F101 HydrophobicContact CG1-CD1 3.59Å; V97-F101 HydrophobicContact CG1-CD2 4.38Å; V97-F101 HydrophobicContact CG1-CE1 4.4Å; V97-F101 HydrophobicContact CG1-CG 3.58Å; V97-L219 HydrophobicContact CG1-CD2 4.07Å; V97-L219 HydrophobicContact CG2-CD2 4.01Å; V97-E224 HydrophobicContact CG1-CG 3.89Å; V97-I226 HydrophobicContact CG2-CD1 3.36Å; V97-I226 HydrophobicContact CG2-CG1 4.31Å
98C93.4Very high95.3Very high46 Ų4647.2 Ų47.231%0.31128%0.281SS..  trans-59.3135.6-178.9-178.10000111.8Q100 F101 E224C98-Q100 PolarHBondContact O-N 2.77Å; C98-F101 VanDerWaalsContact O-CB 3.23Å; C98-F101 WeakPolarHBondContact O-CB 3.35Å; C98-F101 PolarHBondContact O-N 3.35Å; C98-E224 WeakPolarHBondContact CB-OE1 3.47Å; C98-E224 PolarHBondContact N-OE1 3.38Å
99P94.3Very high95.3Very high81 Ų8147.6 Ų47.653%0.52628%0.283SS..Hα-helixtrans-52.7-32.3177.4-29.436.5000115F101 K102 D103P99-F101 PolarHBondContact O-N 3.4Å; P99-K102 PolarHBondContact O-N 2.88Å; P99-D103 PolarHBondContact O-N 2.84Å
100Q93.1Very high95.3Very high127 Ų12748.2 Ų48.259%0.59329%0.285SS*.Hα-helixtrans-57.6-29.9177.3-65.7176.6-9.700112.6C98 K102 D104 V105C98-Q100 PolarHBondContact O-N 2.77Å; Q100-K102 VanDerWaalsContact C-N 3.29Å; Q100-K102 PolarHBondContact O-N 3.42Å; Q100-D104 WeakPolarHBondContact O-CB 3.29Å; Q100-D104 PolarHBondContact O-N 3.16Å; Q100-V105 PolarHBondContact O-N 2.99Å
101F95.8Very high95.2Very high0 Ų050.6 Ų50.60%029%0.291CS..Iπ-helixtrans-56.1-43.1173.8157-96.1000112A89 L92 V97 C98 P99 V105 L106 A218 L219 A222A89-F101 HydrophobicContact CB-CE1 4.33Å; L92-F101 HydrophobicContact CB-CE1 4.22Å; L92-F101 HydrophobicContact CD1-CE1 3.76Å; L92-F101 HydrophobicContact CD1-CZ 3.64Å; V97-F101 HydrophobicContact CG1-CB 3.57Å; V97-F101 HydrophobicContact CG1-CD1 3.59Å; V97-F101 HydrophobicContact CG1-CD2 4.38Å; V97-F101 HydrophobicContact CG1-CE1 4.4Å; V97-F101 HydrophobicContact CG1-CG 3.58Å; C98-F101 VanDerWaalsContact O-CB 3.23Å; C98-F101 WeakPolarHBondContact O-CB 3.35Å; C98-F101 PolarHBondContact O-N 3.35Å; P99-F101 PolarHBondContact O-N 3.4Å; F101-V105 WeakPolarHBondContact O-CB 3.35Å; F101-L106 HydrophobicContact CE1-CD2 4.27Å; F101-L106 HydrophobicContact CZ-CD2 4.16Å; F101-L106 VanDerWaalsContact O-CB 3.31Å; F101-L106 WeakPolarHBondContact O-CB 3.47Å; F101-L106 PolarHBondContact O-N 2.83Å; F101-A218 HydrophobicContact CD2-CB 3.81Å; F101-A218 VanDerWaalsContact CE2-C 3.49Å; F101-A218 HydrophobicContact CE2-CB 3.33Å; F101-A218 HydrophobicContact CZ-CB 4.21Å; F101-L219 HydrophobicContact CD2-CD2 3.9Å; F101-L219 HydrophobicContact CD2-CG 4.19Å; F101-L219 HydrophobicContact CE2-CB 4.26Å; F101-L219 HydrophobicContact CE2-CD2 3.68Å; F101-L219 HydrophobicContact CE2-CG 3.58Å; F101-L219 VanDerWaalsContact CE2-N 3.31Å; F101-L219 HydrophobicContact CG-CD2 4.46Å; F101-L219 HydrophobicContact CZ-CD2 4.07Å; F101-L219 HydrophobicContact CZ-CG 4.08Å; F101-A222 HydrophobicContact CB-CB 4.16Å; F101-A222 HydrophobicContact CD2-CB 4.41Å
102K95.2Very high95.1Very high43 Ų4351.7 Ų51.719%0.18729%0.294CS..Iπ-helixtrans-75.8-53.2-177.6177.9-178.9176.1178.70111A89 E90 L93 P99 Q100 C107A89-K102 HydrophobicContact CB-CB 4.38Å; A89-K102 HydrophobicContact CB-CD 4.14Å; A89-K102 HydrophobicContact CB-CG 3.95Å; E90-K102 IonicContact OE1-NZ 3.38Å; E90-K102 PolarHBondContact OE1-NZ 3.01Å; L93-K102 HydrophobicContact CD1-CB 4.1Å; L93-K102 HydrophobicContact CD1-CD 3.54Å; L93-K102 HydrophobicContact CD1-CG 4.47Å; L93-K102 HydrophobicContact CD2-CB 4.48Å; P99-K102 PolarHBondContact O-N 2.88Å; Q100-K102 VanDerWaalsContact C-N 3.29Å; Q100-K102 PolarHBondContact O-N 3.42Å; K102-C107 WeakPolarHBondContact O-CB 3.2Å; K102-C107 PolarHBondContact O-N 3.34Å
103D92.8Very high95Very high100 Ų10051.7 Ų51.754%0.53529%0.294SS..Iπ-helixtrans-82.8-39.4-165.6-64.8-32.4000112.7P99 C107P99-D103 PolarHBondContact O-N 2.84Å; D103-C107 VanDerWaalsContact O-CB 3.24Å; D103-C107 WeakPolarHBondContact O-CB 3.2Å
104D94.2Very high94.8Very high105 Ų10549.6 Ų49.656%0.56128%0.283SS*.Iπ-helixtrans-94.4-36.6-174.8-59.2-32.3000112.2Q100 Q108Q100-D104 WeakPolarHBondContact O-CB 3.29Å; Q100-D104 PolarHBondContact O-N 3.16Å; D104-Q108 WeakPolarHBondContact O-CB 2.88Å
105V96.9Very high94.7Very high13 Ų1350.4 Ų50.48%0.07927%0.271CS..Iπ-helixtrans-98.4-65-172.1-174.40000111.7Q100 F101 C107 Q108 F109 A218 W221Q100-V105 PolarHBondContact O-N 2.99Å; F101-V105 WeakPolarHBondContact O-CB 3.35Å; V105-C107 PolarHBondContact O-N 3.07Å; V105-Q108 PolarHBondContact O-N 2.8Å; V105-F109 HydrophobicContact CG1-CD2 4.49Å; V105-F109 HydrophobicContact CG1-CE1 4.21Å; V105-F109 HydrophobicContact CG1-CE2 4.14Å; V105-F109 HydrophobicContact CG1-CZ 4.01Å; V105-F109 WeakPolarHBondContact O-CD1 3.35Å; V105-F109 WeakPolarHBondContact O-CG 3.47Å; V105-F109 PolarHBondContact O-N 2.86Å; V105-A218 HydrophobicContact CB-CB 4.47Å; V105-A218 HydrophobicContact CG1-CB 3.75Å; V105-W221 HydrophobicContact CG1-CB 3.74Å; V105-W221 VanDerWaalsContact CG1-CD1 3.49Å; V105-W221 HydrophobicContact CG1-CG 3.71Å
106L97.6Very high94.5Very high8 Ų852 Ų524%0.04228%0.277CS..Iπ-helixtrans-64.4-42.7-174.5-178.262.8000111.7L85 A89 F101 Q108 F109 W110 L214 A218L85-L106 HydrophobicContact CD2-CD1 4.49Å; A89-L106 HydrophobicContact CB-CD2 3.68Å; F101-L106 HydrophobicContact CE1-CD2 4.27Å; F101-L106 HydrophobicContact CZ-CD2 4.16Å; F101-L106 VanDerWaalsContact O-CB 3.31Å; F101-L106 WeakPolarHBondContact O-CB 3.47Å; F101-L106 PolarHBondContact O-N 2.83Å; L106-Q108 VanDerWaalsContact C-N 3.3Å; L106-Q108 PolarHBondContact O-N 3.38Å; L106-F109 PolarHBondContact O-N 3.26Å; L106-W110 WeakPolarHBondContact O-CB 3.07Å; L106-W110 PolarHBondContact O-N 2.95Å; L106-L214 HydrophobicContact CD1-CB 4.4Å; L106-L214 HydrophobicContact CD1-CD2 3.94Å; L106-L214 HydrophobicContact CD1-CG 3.84Å; L106-A218 HydrophobicContact CB-CB 3.95Å; L106-A218 HydrophobicContact CD1-CB 3.99Å
107C96.6Very high94.2Very high40 Ų4049 Ų4927%0.2725%0.246SC..Hα-helixtrans-58.8-43.1175.3-167.10000111.5K102 D103 V105 W110 R111K102-C107 WeakPolarHBondContact O-CB 3.2Å; K102-C107 PolarHBondContact O-N 3.34Å; D103-C107 VanDerWaalsContact O-CB 3.24Å; D103-C107 WeakPolarHBondContact O-CB 3.2Å; V105-C107 PolarHBondContact O-N 3.07Å; C107-W110 PolarHBondContact O-N 2.73Å; C107-R111 WeakPolarHBondContact O-CG 3.13Å; C107-R111 PolarHBondContact O-N 3.44Å
108Q96.3Very high93.8Very high84 Ų8455.5 Ų55.539%0.39327%0.27SS..Hα-helixtrans-67-42.2178.4-17658.120.300111.7D104 V105 L106 W110 R111 M112D104-Q108 WeakPolarHBondContact O-CB 2.88Å; V105-Q108 PolarHBondContact O-N 2.8Å; L106-Q108 VanDerWaalsContact C-N 3.3Å; L106-Q108 PolarHBondContact O-N 3.38Å; Q108-W110 VanDerWaalsContact C-N 3.32Å; Q108-W110 PolarHBondContact O-N 2.89Å; Q108-R111 PolarHBondContact O-N 3.3Å; Q108-M112 HydrophobicContact CG-CE 4.34Å; Q108-M112 WeakPolarHBondContact O-CG 3.21Å; Q108-M112 PolarHBondContact O-N 3.49Å
109F97.1Very high93.3Very high8 Ų854.1 Ų54.14%0.03526%0.259CS..Hα-helixtrans-61.3-41.1175.4-75.813000111.6V105 L106 M112 Y113 L214 L217 A218 W221 L287 F290V105-F109 HydrophobicContact CG1-CD2 4.49Å; V105-F109 HydrophobicContact CG1-CE1 4.21Å; V105-F109 HydrophobicContact CG1-CE2 4.14Å; V105-F109 HydrophobicContact CG1-CZ 4.01Å; V105-F109 WeakPolarHBondContact O-CD1 3.35Å; V105-F109 WeakPolarHBondContact O-CG 3.47Å; V105-F109 PolarHBondContact O-N 2.86Å; L106-F109 PolarHBondContact O-N 3.26Å; F109-M112 HydrophobicContact CB-CE 4.48Å; F109-M112 HydrophobicContact CD1-CE 3.38Å; F109-M112 HydrophobicContact CE1-CE 3.95Å; F109-M112 HydrophobicContact CG-CE 4.23Å; F109-M112 PolarHBondContact O-N 2.8Å; F109-Y113 WeakPolarHBondContact O-CB 3.5Å; F109-Y113 PolarHBondContact O-N 3.3Å; F109-L214 HydrophobicContact CB-CD1 3.88Å; F109-L214 HydrophobicContact CB-CG 4.3Å; F109-L214 HydrophobicContact CD2-CD1 4.5Å; F109-L217 HydrophobicContact CD2-CB 4.26Å; F109-L217 HydrophobicContact CE2-CB 3.93Å; F109-A218 HydrophobicContact CD2-CB 4.19Å; F109-A218 HydrophobicContact CE2-CB 4.39Å; F109-W221 HydrophobicContact CE1-CD2 4.32Å; F109-W221 HydrophobicContact CE1-CE3 4.38Å; F109-W221 HydrophobicContact CE2-CB 4.36Å; F109-W221 HydrophobicContact CZ-CB 3.98Å; F109-W221 AromaticContact CZ-CD2 3.87Å; F109-W221 HydrophobicContact CZ-CD2 3.87Å; F109-W221 AromaticContact CZ-CE3 3.83Å; F109-W221 HydrophobicContact CZ-CE3 3.83Å; F109-W221 AromaticContact CZ-CG 3.95Å; F109-W221 HydrophobicContact CZ-CG 3.95Å; F109-L287 HydrophobicContact CD1-CD2 4.07Å; F109-L287 HydrophobicContact CD2-CD1 4.39Å; F109-L287 HydrophobicContact CE1-CD1 4.38Å; F109-L287 HydrophobicContact CE1-CD2 3.81Å; F109-L287 HydrophobicContact CE2-CD1 3.89Å; F109-L287 HydrophobicContact CZ-CD1 3.88Å; F109-L287 HydrophobicContact CZ-CD2 4.15Å; F109-F290 HydrophobicContact CE2-CZ 4.46Å; F109-F290 HydrophobicContact CZ-CZ 4.39Å
110W97.3Very high92.9Very high15 Ų1551.8 Ų51.86%0.05725%0.246CC..Hα-helixtrans-64.8-42174.5177.7-118.8000112.9C78 F81 Q82 L85 L106 C107 Q108 Y113 L114 M206 L214C78-W110 HydrophobicContact CB-CH2 4.32Å; C78-W110 HydrophobicContact CB-CZ2 4.33Å; C78-W110 VanDerWaalsContact O-CZ2 3.28Å; C78-W110 WeakPolarHBondContact O-CZ2 3.46Å; F81-W110 HydrophobicContact CB-CH2 3.99Å; Q82-W110 HydrophobicContact CB-CZ2 3.84Å; L85-W110 HydrophobicContact CD1-CD2 3.88Å; L85-W110 HydrophobicContact CD1-CE3 3.48Å; L85-W110 VanDerWaalsContact CD1-CE3 3.48Å; L85-W110 HydrophobicContact CD1-CG 4.46Å; L85-W110 HydrophobicContact CD1-CZ3 3.84Å; L106-W110 WeakPolarHBondContact O-CB 3.07Å; L106-W110 PolarHBondContact O-N 2.95Å; C107-W110 PolarHBondContact O-N 2.73Å; Q108-W110 VanDerWaalsContact C-N 3.32Å; Q108-W110 PolarHBondContact O-N 2.89Å; W110-Y113 AromaticContact CE3-CD1 3.62Å; W110-Y113 HydrophobicContact CE3-CD1 3.62Å; W110-Y113 HydrophobicContact CE3-CE1 4.42Å; W110-Y113 HydrophobicContact CE3-CG 4.24Å; W110-Y113 AromaticContact CH2-CD1 3.99Å; W110-Y113 HydrophobicContact CH2-CD1 3.99Å; W110-Y113 HydrophobicContact CH2-CE1 4.08Å; W110-Y113 AromaticContact CZ3-CD1 3.28Å; W110-Y113 HydrophobicContact CZ3-CD1 3.28Å; W110-Y113 AromaticContact CZ3-CE1 3.64Å; W110-Y113 HydrophobicContact CZ3-CE1 3.64Å; W110-Y113 HydrophobicContact CZ3-CG 4.22Å; W110-Y113 WeakPolarHBondContact O-CB 3.45Å; W110-Y113 PolarHBondContact O-N 3.21Å; W110-L114 HydrophobicContact CD2-CD1 4.38Å; W110-L114 HydrophobicContact CD2-CG 4.25Å; W110-L114 HydrophobicContact CH2-CD2 3.95Å; W110-L114 HydrophobicContact CH2-CG 4.44Å; W110-L114 HydrophobicContact CZ2-CD1 4.03Å; W110-L114 HydrophobicContact CZ2-CD2 3.65Å; W110-L114 HydrophobicContact CZ2-CG 3.95Å; W110-L114 WeakPolarHBondContact O-CG 3.48Å; W110-L114 PolarHBondContact O-N 3.44Å; W110-M206 HydrophobicContact CE3-CE 4.05Å; W110-M206 HydrophobicContact CZ3-CE 3.57Å; W110-M206 HydrophobicContact CZ3-CG 4.29Å; W110-L214 HydrophobicContact CB-CD2 4.29Å; W110-L214 HydrophobicContact CE3-CD2 4.2Å
111R95.4Very high92.5Very high119 Ų11953.1 Ų53.145%0.44925%0.246SC..Hα-helixtrans-61.4-45.4174.8-72.6171.3-175.7167.22.9111.9C107 Q108 Y113 L114 Q115 Y121C107-R111 WeakPolarHBondContact O-CG 3.13Å; C107-R111 PolarHBondContact O-N 3.44Å; Q108-R111 PolarHBondContact O-N 3.3Å; R111-Y113 VanDerWaalsContact C-N 3.3Å; R111-Y113 PolarHBondContact O-N 3.2Å; R111-L114 PolarHBondContact O-N 3.38Å; R111-Q115 PolarHBondContact O-N 3.27Å; R111-Y121 HydrophobicContact CG-CE2 4.32Å
112M94Very high91.8Very high40 Ų4055.4 Ų55.420%0.19726%0.261CS..Hα-helixtrans-60.6-41.6175.1-70.8-172.2-63.700111.4Q108 F109 L114 Q115 K116 L285 L287Q108-M112 HydrophobicContact CG-CE 4.34Å; Q108-M112 WeakPolarHBondContact O-CG 3.21Å; Q108-M112 PolarHBondContact O-N 3.49Å; F109-M112 HydrophobicContact CB-CE 4.48Å; F109-M112 HydrophobicContact CD1-CE 3.38Å; F109-M112 HydrophobicContact CE1-CE 3.95Å; F109-M112 HydrophobicContact CG-CE 4.23Å; F109-M112 PolarHBondContact O-N 2.8Å; M112-L114 PolarHBondContact O-N 2.88Å; M112-Q115 PolarHBondContact O-N 3.41Å; M112-K116 WeakPolarHBondContact O-CB 3.44Å; M112-K116 WeakPolarHBondContact O-CG 3.26Å; M112-K116 PolarHBondContact O-N 3.4Å; M112-L285 HydrophobicContact CB-CD2 4.3Å; M112-L287 HydrophobicContact CE-CD2 3.37Å; M112-L287 HydrophobicContact SD-CD2 4.35Å
113Y94.7Very high90.7Very high0 Ų063 Ų630%029%0.294CS..Hα-helixtrans-57.4-50.3174.7172.6-95.2000111.9F109 W110 R111 Q115 K116 S117 Q119 G204 L205 M206 L281 F284 L285F109-Y113 WeakPolarHBondContact O-CB 3.5Å; F109-Y113 PolarHBondContact O-N 3.3Å; W110-Y113 AromaticContact CE3-CD1 3.62Å; W110-Y113 HydrophobicContact CE3-CD1 3.62Å; W110-Y113 HydrophobicContact CE3-CE1 4.42Å; W110-Y113 HydrophobicContact CE3-CG 4.24Å; W110-Y113 AromaticContact CH2-CD1 3.99Å; W110-Y113 HydrophobicContact CH2-CD1 3.99Å; W110-Y113 HydrophobicContact CH2-CE1 4.08Å; W110-Y113 AromaticContact CZ3-CD1 3.28Å; W110-Y113 HydrophobicContact CZ3-CD1 3.28Å; W110-Y113 AromaticContact CZ3-CE1 3.64Å; W110-Y113 HydrophobicContact CZ3-CE1 3.64Å; W110-Y113 HydrophobicContact CZ3-CG 4.22Å; W110-Y113 WeakPolarHBondContact O-CB 3.45Å; W110-Y113 PolarHBondContact O-N 3.21Å; R111-Y113 VanDerWaalsContact C-N 3.3Å; R111-Y113 PolarHBondContact O-N 3.2Å; Y113-Q115 VanDerWaalsContact C-N 3.31Å; Y113-Q115 PolarHBondContact O-N 2.99Å; Y113-K116 PolarHBondContact O-N 3.14Å; Y113-S117 VanDerWaalsContact O-CB 3.27Å; Y113-S117 WeakPolarHBondContact O-CB 3.37Å; Y113-S117 PolarHBondContact O-N 3.05Å; Y113-S117 PolarHBondContact O-OG 2.94Å; Y113-Q119 PolarHBondContact OH-NE2 3.27Å; Y113-Q119 VanDerWaalsContact OH-NE2 3.08Å; Y113-G204 PolarHBondContact OH-O 3.37Å; Y113-L205 VanDerWaalsContact OH-C 3.27Å; Y113-L205 VanDerWaalsContact OH-CA 3.32Å; Y113-L205 WeakPolarHBondContact OH-CA 3.42Å; Y113-M206 HydrophobicContact CD1-CE 3.83Å; Y113-M206 HydrophobicContact CD2-CE 3.85Å; Y113-M206 HydrophobicContact CE1-CB 4Å; Y113-M206 HydrophobicContact CE1-CE 3.84Å; Y113-M206 HydrophobicContact CE2-CE 3.87Å; Y113-M206 HydrophobicContact CG-CE 3.85Å; Y113-M206 PolarHBondContact OH-N 3.21Å; Y113-L281 HydrophobicContact CD2-CD1 4.18Å; Y113-F284 HydrophobicContact CD2-CD1 4.3Å; Y113-F284 AromaticContact CD2-CE1 3.75Å; Y113-F284 HydrophobicContact CD2-CE1 3.75Å; Y113-F284 AromaticContact CE2-CE1 3.86Å; Y113-F284 HydrophobicContact CE2-CE1 3.86Å; Y113-L285 HydrophobicContact CD2-CD2 4.3Å
114L92.5Very high89.7Confident5 Ų563.6 Ų63.63%0.02630%0.297CS..Hα-helixtrans-61.7-39.2179.9-71.9175.5000112.4C78 W110 R111 M112 S117 R118 Q119 A120 Y121C78-L114 HydrophobicContact CB-CD2 3.9Å; W110-L114 HydrophobicContact CD2-CD1 4.38Å; W110-L114 HydrophobicContact CD2-CG 4.25Å; W110-L114 HydrophobicContact CH2-CD2 3.95Å; W110-L114 HydrophobicContact CH2-CG 4.44Å; W110-L114 HydrophobicContact CZ2-CD1 4.03Å; W110-L114 HydrophobicContact CZ2-CD2 3.65Å; W110-L114 HydrophobicContact CZ2-CG 3.95Å; W110-L114 WeakPolarHBondContact O-CG 3.48Å; W110-L114 PolarHBondContact O-N 3.44Å; R111-L114 PolarHBondContact O-N 3.38Å; M112-L114 PolarHBondContact O-N 2.88Å; L114-S117 PolarHBondContact O-OG 3.48Å; L114-R118 PolarHBondContact O-N 3.33Å; L114-R118 VanDerWaalsContact O-N 3.13Å; L114-Q119 HydrophobicContact CD2-CB 3.99Å; L114-Q119 PolarHBondContact O-N 3.22Å; L114-A120 CarbonylContact C-O 3.43Å; L114-A120 HydrophobicContact CB-CB 4.04Å; L114-A120 HydrophobicContact CD1-CB 4.25Å; L114-A120 PolarHBondContact O-N 2.79Å; L114-A120 VanDerWaalsContact O-O 3.12Å; L114-Y121 HydrophobicContact CB-CD2 4.09Å; L114-Y121 HydrophobicContact CB-CE2 4.4Å; L114-Y121 HydrophobicContact CD1-CD2 4.38Å; L114-Y121 HydrophobicContact CD1-CE2 3.86Å
115Q91.1Very high88.7Confident106 Ų10661.4 Ų61.450%0.49529%0.289SS..Hα-helixtrans-65.4-50.9176.2-174.8179.411.400112R111 M112 Y113 R118 A120R111-Q115 PolarHBondContact O-N 3.27Å; M112-Q115 PolarHBondContact O-N 3.41Å; Y113-Q115 VanDerWaalsContact C-N 3.31Å; Y113-Q115 PolarHBondContact O-N 2.99Å; Q115-R118 PolarHBondContact O-N 3.2Å; Q115-R118 VanDerWaalsContact O-N 3.09Å; Q115-A120 WeakPolarHBondContact CA-O 3.1Å; Q115-A120 PolarHBondContact N-O 3.12Å
116K88.9Confident87.2Confident82 Ų8262.6 Ų62.636%0.35730%0.296SS..Hα-helixtrans-66.8-38.8-178.2-71.8-72.3-171.4175.60112.3M112 Y113 R118 F284 E286M112-K116 WeakPolarHBondContact O-CB 3.44Å; M112-K116 WeakPolarHBondContact O-CG 3.26Å; M112-K116 PolarHBondContact O-N 3.4Å; Y113-K116 PolarHBondContact O-N 3.14Å; K116-R118 PolarHBondContact O-N 3.04Å; K116-F284 HydrophobicContact CB-CE1 3.9Å; K116-F284 HydrophobicContact CB-CZ 3.89Å; K116-E286 IonicContact NZ-OE1 2.73Å; K116-E286 PolarHBondContact NZ-OE1 2.97Å; K116-E286 IonicContact NZ-OE2 2.71Å; K116-E286 PolarHBondContact NZ-OE2 2.83Å
117S87.3Confident85.4Confident2 Ų266.4 Ų66.41%0.01431%0.313CS..THydrogen-bonded Turntrans-75.7-5.3173.963.20000113.6Y113 L114 Q119Y113-S117 VanDerWaalsContact O-CB 3.27Å; Y113-S117 WeakPolarHBondContact O-CB 3.37Å; Y113-S117 PolarHBondContact O-N 3.05Å; Y113-S117 PolarHBondContact O-OG 2.94Å; L114-S117 PolarHBondContact O-OG 3.48Å; S117-Q119 VanDerWaalsContact CB-NE2 3.34Å; S117-Q119 PolarHBondContact O-N 3.45Å; S117-Q119 PolarHBondContact OG-NE2 3.2Å
118R85.2Confident83.1Confident142 Ų14272 Ų7254%0.53634%0.34SS..THydrogen-bonded Turntrans59.326.9-178.9-58-179.6-172.7-177.41.6114L114 Q115 K116 T122 P125 V126L114-R118 PolarHBondContact O-N 3.33Å; L114-R118 VanDerWaalsContact O-N 3.13Å; Q115-R118 PolarHBondContact O-N 3.2Å; Q115-R118 VanDerWaalsContact O-N 3.09Å; K116-R118 PolarHBondContact O-N 3.04Å; R118-T122 HydrophobicContact CB-CG2 3.92Å; R118-T122 HydrophobicContact CG-CG2 4.45Å; R118-P125 WeakPolarHBondContact O-CA 3.5Å; R118-V126 HydrophobicContact CB-CG2 3.67Å; R118-V126 PolarHBondContact O-N 3.44Å; R118-V126 VanDerWaalsContact O-N 3.16Å
119Q84.2Confident80.7Confident17 Ų1771.1 Ų71.18%0.07935%0.354CS..SBendtrans-86.6-29.7176.6-71.3177.187.900111.9Y113 L114 S117Y113-Q119 PolarHBondContact OH-NE2 3.27Å; Y113-Q119 VanDerWaalsContact OH-NE2 3.08Å; L114-Q119 HydrophobicContact CD2-CB 3.99Å; L114-Q119 PolarHBondContact O-N 3.22Å; S117-Q119 VanDerWaalsContact CB-NE2 3.34Å; S117-Q119 PolarHBondContact O-N 3.45Å; S117-Q119 PolarHBondContact OG-NE2 3.2Å
120A84.9Confident78.1Confident31 Ų3180.2 Ų80.226%0.25639%0.393SS..SBendtrans-152.2173.217100000110.9L114 Q115 T122L114-A120 CarbonylContact C-O 3.43Å; L114-A120 HydrophobicContact CB-CB 4.04Å; L114-A120 HydrophobicContact CD1-CB 4.25Å; L114-A120 PolarHBondContact O-N 2.79Å; L114-A120 VanDerWaalsContact O-O 3.12Å; Q115-A120 WeakPolarHBondContact CA-O 3.1Å; Q115-A120 PolarHBondContact N-O 3.12Å; A120-T122 PolarHBondContact O-N 3.02Å; A120-T122 VanDerWaalsContact O-N 3.11Å
121Y84.5Confident75.2Confident155 Ų15586.9 Ų86.961%0.60842%0.423SS*.SBendtrans54.131.7176-47.8-71.8000114.6R111 L114R111-Y121 HydrophobicContact CG-CE2 4.32Å; L114-Y121 HydrophobicContact CB-CD2 4.09Å; L114-Y121 HydrophobicContact CB-CE2 4.4Å; L114-Y121 HydrophobicContact CD1-CD2 4.38Å; L114-Y121 HydrophobicContact CD1-CE2 3.86Å
122T80.1Confident72.1Confident49 Ų4993 Ų9330%0.30145%0.446SS..  trans-130.3151.6-179.2-177.80000111.3R118 A120 N124 P125R118-T122 HydrophobicContact CB-CG2 3.92Å; R118-T122 HydrophobicContact CG-CG2 4.45Å; A120-T122 PolarHBondContact O-N 3.02Å; A120-T122 VanDerWaalsContact O-N 3.11Å; T122-N124 VanDerWaalsContact C-N 3.32Å; T122-N124 PolarHBondContact OG1-N 3.37Å; T122-P125 HydrophobicContact CG2-CB 4.28Å
123K72.6Confident69.2Low202 Ų20297.9 Ų97.988%0.87847%0.472SS*.SBendtrans-72.7-25.9175.8-63.4-176.5-180-178.70112.6P125K123-P125 WeakPolarHBondContact O-CD 3.47Å
124N72.5Confident66.4Low113 Ų113109.7 Ų109.760%0.60452%0.517SS*.SBendtrans-12376.8-177.2-64.1-7.4000109.8T122T122-N124 VanDerWaalsContact C-N 3.32Å; T122-N124 PolarHBondContact OG1-N 3.37Å
125P72.3Confident63.3Low59 Ų59114.1 Ų114.138%0.38355%0.548SS..  trans-66148.5179.128.4-34.1000111.1R118 T122 K123 H127R118-P125 WeakPolarHBondContact O-CA 3.5Å; T122-P125 HydrophobicContact CG2-CB 4.28Å; K123-P125 WeakPolarHBondContact O-CD 3.47Å; P125-H127 PolarHBondContact O-N 2.95Å
126V65.7Low60.5Low38 Ų38118.2 Ų118.223%0.2357%0.567CS.*THydrogen-bonded Turntrans-63.1-11.4-177.9174.60000113.3R118 D128 Q203R118-V126 HydrophobicContact CB-CG2 3.67Å; R118-V126 PolarHBondContact O-N 3.44Å; R118-V126 VanDerWaalsContact O-N 3.16Å; V126-D128 VanDerWaalsContact C-N 3.28Å; V126-D128 PolarHBondContact O-N 3.02Å; V126-Q203 VanDerWaalsContact CG1-NE2 3.29Å
127H61Low57.6Low87 Ų87117.6 Ų117.640%0.40358%0.584SS.*THydrogen-bonded Turntrans-80.14.9-177.3-65.7-53.8000115.8P125 G129P125-H127 PolarHBondContact O-N 2.95Å; H127-G129 PolarHBondContact O-N 3.4Å; H127-G129 VanDerWaalsContact O-N 3.09Å
128D47Very low54.9Low158 Ų158123.7 Ų123.785%0.84563%0.627SS**THydrogen-bonded Turntrans-79.6104-175.3-139.60.2000111.9V126V126-D128 VanDerWaalsContact C-N 3.28Å; V126-D128 PolarHBondContact O-N 3.02Å
129G47.4Very low52.2Low65 Ų65120.6 Ų120.667%0.6764%0.639SS**THydrogen-bonded Turntrans174.1-30.717200000116H127H127-G129 PolarHBondContact O-N 3.4Å; H127-G129 VanDerWaalsContact O-N 3.09Å
130K40.6Very low49.5Very low199 Ų199129.4 Ų129.487%0.86568%0.68SS**THydrogen-bonded Turntrans-144.64.1-175.1-74.7-167178.1179.60118.5
131F36.7Very low46.9Very low156 Ų156133.7 Ų133.768%0.68471%0.708SS**  trans-121.963.3-179.7-104.7-93.9000112.4L133F131-L133 PolarHBondContact O-N 3.5Å
132R31.3Very low44.2Very low248 Ų248133.5 Ų133.594%0.93672%0.718SS**  trans-81.299.2146.1-80.5-164.1-171.1-160.84.3106.9R134R132-R134 PolarHBondContact O-N 3Å
133L32.7Very low41.9Very low142 Ų142137 Ų13774%0.74375%0.745SS**  trans-55.3122.2167.8-173.170.4000108.1F131 S135F131-L133 PolarHBondContact O-N 3.5Å; L133-S135 VanDerWaalsContact C-N 3.28Å; L133-S135 PolarHBondContact O-N 3.02Å
134R35.3Very low39.9Very low248 Ų248132.2 Ų132.294%0.93674%0.743SS**  trans-59.488.4170.3-160.4178.5-175.7-172.61.3108.1R132R132-R134 PolarHBondContact O-N 3Å
135S28.4Very low38.4Very low98 Ų98132.5 Ų132.569%0.68575%0.751SS**  trans-108103.7168.9-167.50000108.3L133L133-S135 VanDerWaalsContact C-N 3.28Å; L133-S135 PolarHBondContact O-N 3.02Å
136Q32.3Very low36.2Very low191 Ų191138.6 Ų138.689%0.89377%0.774SS**  trans40.2135.2158.3-66.9179.816.400121.8
137G27.4Very low34.3Very low70 Ų70141.3 Ų141.372%0.72280%0.795SS**  trans115.4107.6141.700000115.6
138S30.7Very low32.7Very low129 Ų129141.9 Ų141.990%0.90281%0.808SS**  trans0.5126.7150.453.70000118.6
139G27.9Very low31.8Very low78 Ų78140.3 Ų140.380%0.80480%0.804SS**  trans165.7103163.100000110.9
140E29.1Very low30.8Very low201 Ų201146.1 Ų146.194%0.93982%0.816SS**  trans-50.6140.5171.5-62.8161.3151.400111.5
141S29.5Very low30.3Very low121 Ų121141.2 Ų141.285%0.84681%0.807SS**  trans-178.2124.7130.5-164.70000110.1
142D28.2Very low29.8Very low151 Ų151142 Ų14281%0.80782%0.818SS**  trans-58.3143.7171.8-72.4-46.6000112.6
143S31.2Very low29.5Very low124 Ų124134.4 Ų134.487%0.86780%0.803SS**  trans175121.1131.3-70.70000110.6
144A31.1Very low29.3Very low101 Ų101135.1 Ų135.184%0.83581%0.805SS**  trans-85.8169.4172.300000111.7
145P40.7Very low28.9Very low118 Ų118130.7 Ų130.777%0.76680%0.796SS**  trans-109.6157.1-151.239.6-31.6000115.4
146E25.7Very low28.8Very low188 Ų188131.1 Ų131.188%0.87980%0.8SS**  trans-141.3140.1163.1-65.4-81.5148.600103.7
147S26.3Very low28.5Very low95 Ų95126.6 Ų126.666%0.66480%0.795SS**  cis-170.715522.758.70000109.9
148S26.4Very low28.5Very low98 Ų98128.5 Ų128.569%0.68580%0.797SS**  77.4105.2129.468.50000122.3
149V28.3Very low28.4Very low126 Ų126131.9 Ų131.976%0.76480%0.798SS**  trans-12.9135.5136-82.60000117.6
150M27.8Very low28.6Very low187 Ų187134 Ų13492%0.92180%0.796SS**  trans-144.2122.9138.8-91-70.7133.200108.6
151S29.1Very low28.6Very low95 Ų95132 Ų13266%0.66479%0.791SS**  trans-68.9154.9168.9-540000110.3
152D25.5Very low28.5Very low173 Ų173129.3 Ų129.393%0.92578%0.783SS**  trans-154.9145.7136.5-112.6-24.5000114.1
153S26.4Very low28.5Very low89 Ų89130.6 Ų130.662%0.62279%0.79SS**  trans-100.1152.3-159.3-59.60000113.2
154M27.6Very low28.5Very low157 Ų157128.1 Ų128.177%0.77378%0.784SS**  trans58132.9140.272.4-179.4-179.800122.7
155M26.7Very low28.3Very low154 Ų154130.7 Ų130.776%0.75978%0.784SS**  trans156.6137137.2-78.4-34.615900107.4
156S27.3Very low27.8Very low108 Ų108137.1 Ų137.176%0.75579%0.793SS**  cis-172.7174.5-9.3-157.70000107.7
157A25.3Very low28Very low95 Ų95132.4 Ų132.479%0.78579%0.786SS**  trans81.4104.6158.600000119.9
158S27.8Very low28.4Very low110 Ų110133.7 Ų133.777%0.76980%0.795SS**  trans-63.2147155.841.60000113.4
159E29.4Very low28.4Very low200 Ų200133.1 Ų133.194%0.93581%0.805SS**  -151.8133.5128.4-68.4-148.4155.600109.4
160T30.5Very low28.4Very low122 Ų122131.2 Ų131.275%0.74881%0.811SS**  trans-83.8154.1171.853.40000108.8
161D29.6Very low28.4Very low159 Ų159126 Ų12685%0.8581%0.805SS**  -160.7158.366-60.6-34.1000107.8
162G28.5Very low28.4Very low65 Ų65127.3 Ų127.367%0.6781%0.814SS**  cis-176.6159.93.100000109
163D27.6Very low28.4Very low178 Ų178125.7 Ų125.795%0.95281%0.81SS**  trans83.2118.9161.1-58.3-21.8000122.5
164G30.9Very low28.8Very low72 Ų72127.2 Ų127.274%0.74282%0.821SS**  trans14761.2155.900000116.3W166G164-W166 PolarHBondContact O-N 3.5Å
165D27.6Very low28.8Very low155 Ų155122.8 Ų122.883%0.82982%0.815SS**  trans-52.6126.5177.2-100.6-31.7000114.6
166W28.6Very low29.2Very low253 Ų253124.9 Ų124.996%0.95882%0.823SS**  trans-134.696.9149.2-76101.1000108.4G164G164-W166 PolarHBondContact O-N 3.5Å
167A30.3Very low29.1Very low89 Ų89125.6 Ų125.674%0.73682%0.823SS**  trans-68.9131.317500000111
168S34.7Very low29.9Very low123 Ų123127.2 Ų127.286%0.8683%0.829SS**  trans-140.7106.9152.1-77.60000107.5
169G27.3Very low30Very low85 Ų85129 Ų12988%0.87683%0.829SS**  trans-63.6131.2-179.600000111.7
170G28.2Very low30.3Very low87 Ų87123.1 Ų123.190%0.89782%0.822SS**  trans-104.7115.216300000109
171G26.9Very low30.4Very low78 Ų78121.6 Ų121.680%0.80482%0.822SS**  trans-133.1115.1167.400000108.7
172S28.9Very low30.8Very low122 Ų122119 Ų11985%0.85382%0.817SS**  trans-61.4141.5-168.3-58.80000115.7
173V27.3Very low31.5Very low139 Ų139120.5 Ų120.584%0.84282%0.817SS**  trans-129.9118.5147168.10000108.5
174S35Very low32.7Very low120 Ų120115.4 Ų115.484%0.83979%0.792SS**  trans-63124163.8490000110.2
175G26.3Very low34.2Very low64 Ų64113.5 Ų113.566%0.6677%0.767SS**  trans-171.4108.2172.700000110.1T177G175-T177 PolarHBondContact O-N 3.47Å
176H35Very low36.3Very low198 Ų198107 Ų10792%0.91773%0.733SS**  trans-65.2111.6173.6-59-83.3000109.6
177T25.3Very low38.4Very low123 Ų12395.6 Ų95.676%0.75569%0.694SS**  trans-138112.6153.949.40000108.9G175 D179G175-T177 PolarHBondContact O-N 3.47Å; T177-D179 VanDerWaalsContact C-N 3.3Å; T177-D179 PolarHBondContact O-N 3.03Å
178S42Very low40.7Very low130 Ų13091.6 Ų91.691%0.90966%0.661SS**  trans-65.792.7163.3153.20000107.4
179D29.1Very low42.9Very low147 Ų14789.6 Ų89.679%0.78664%0.64SS**  trans-135.7135.8167.4-126.3-16.2000110.4T177 A181T177-D179 VanDerWaalsContact C-N 3.3Å; T177-D179 PolarHBondContact O-N 3.03Å; D179-A181 PolarHBondContact O-N 3.32Å
180G36.8Very low45.5Very low76 Ų7686 Ų8678%0.78460%0.601SS**  trans-43.1106.9-160.700000114.5S182G180-S182 PolarHBondContact O-N 2.95Å
181A32.7Very low48Very low90 Ų9081.9 Ų81.974%0.74456%0.558SS**  trans-41.1131.917400000110.8D179 S183D179-A181 PolarHBondContact O-N 3.32Å; A181-S183 PolarHBondContact O-N 3.02Å
182S37.6Very low50.3Low105 Ų10580.9 Ų80.973%0.73454%0.536SS*.  trans-43.6103.617264.10000108.9G180 V184G180-S182 PolarHBondContact O-N 2.95Å; S182-V184 VanDerWaalsContact C-N 3.33Å; S182-V184 PolarHBondContact O-N 3.3Å
183S44.3Very low52.4Low96 Ų9677.5 Ų77.567%0.67151%0.513SS*.  trans-55.5101.9177.2164.60000106.7A181 C185A181-S183 PolarHBondContact O-N 3.02Å; S183-C185 PolarHBondContact O-N 3.49Å; S183-C185 PolarHBondContact O-SG 3.27Å; S183-C185 PolarHBondContact OG-SG 3.45Å; S183-C185 VanDerWaalsContact OG-SG 3.39Å
184V52.2Low54.7Low72 Ų7271.4 Ų71.444%0.43648%0.475SS..  trans-66.690174.8-178.30000105.2S182 S186 V192 R258S182-V184 VanDerWaalsContact C-N 3.33Å; S182-V184 PolarHBondContact O-N 3.3Å; V184-S186 PolarHBondContact O-N 3.17Å; V184-S186 VanDerWaalsContact O-N 3.09Å; V184-V192 HydrophobicContact CB-CG2 4.46Å; V184-V192 HydrophobicContact CG1-CG2 3.66Å; V184-R258 HydrophobicContact CG1-CG 4.32Å
185C62.5Low56.5Low31 Ų3167 Ų6721%0.20944%0.442CS..  trans-75.5100-175.3-63.90000106.7S183 Y256 G257S183-C185 PolarHBondContact O-N 3.49Å; S183-C185 PolarHBondContact O-SG 3.27Å; S183-C185 PolarHBondContact OG-SG 3.45Å; S183-C185 VanDerWaalsContact OG-SG 3.39Å; C185-Y256 VanDerWaalsContact C-CE2 3.46Å; C185-Y256 HydrophobicContact CB-CD2 3.81Å; C185-Y256 HydrophobicContact CB-CE2 3.72Å; C185-Y256 WeakPolarHBondContact O-CD2 3.28Å; C185-G257 VanDerWaalsContact O-CA 3.31Å; C185-G257 WeakPolarHBondContact O-CA 3.37Å
186S70.8Confident58.7Low18 Ų1866.3 Ų66.313%0.12643%0.425CS..  trans-114.4150.8161.2-1460000109.9V184 A191 Y256 D259V184-S186 PolarHBondContact O-N 3.17Å; V184-S186 VanDerWaalsContact O-N 3.09Å; S186-A191 WeakPolarHBondContact OG-CB 3.25Å; S186-Y256 VanDerWaalsContact CA-O 3.3Å; S186-Y256 WeakPolarHBondContact CA-O 3.39Å; S186-Y256 WeakPolarHBondContact O-CE2 3.2Å; S186-Y256 PolarHBondContact O-OH 3.31Å; S186-D259 PolarHBondContact OG-N 3.23Å; S186-D259 VanDerWaalsContact OG-N 3.15Å; S186-D259 PolarHBondContact OG-OD2 3.03Å
187G72.4Confident59.9Low14 Ų1461.1 Ų61.114%0.14441%0.408CS..SBendtrans-72.2-45.2168.800000112.8K254 Y256 D259G187-K254 WeakPolarHBondContact CA-O 3.38Å; G187-Y256 VanDerWaalsContact CA-CE1 3.44Å; G187-Y256 PolarHBondContact N-O 3.24Å; G187-D259 WeakPolarHBondContact CA-OD2 3.36Å; G187-D259 PolarHBondContact N-OD2 3.26Å
188S78.7Confident61.6Low5 Ų565.6 Ų65.64%0.03541%0.411CS..BIsolated β-bridgetrans-81.6147.617565.70000112.7W75 V77 D190 A191 D259W75-S188 CarbonylContact O-C 3.48Å; W75-S188 WeakPolarHBondContact O-CA 3.35Å; W75-S188 WeakPolarHBondContact O-CB 3.34Å; V77-S188 WeakPolarHBondContact CG2-OG 3.45Å; S188-D190 VanDerWaalsContact C-N 3.32Å; S188-D190 PolarHBondContact O-N 3.19Å; S188-A191 WeakPolarHBondContact OG-CB 3.49Å; S188-A191 PolarHBondContact OG-N 2.96Å; S188-D259 PolarHBondContact N-OD2 3.08Å
189I81.4Confident62.6Low81 Ų8161 Ų6142%0.41538%0.376SS..SBendtrans-66.7-32.3-178.1-60.6162.6000112.3E74 W75E74-I189 HydrophobicContact CB-CD1 3.64Å; E74-I189 HydrophobicContact CB-CG1 4.18Å; E74-I189 HydrophobicContact CG-CD1 4.08Å; E74-I189 HydrophobicContact CG-CG1 4.27Å; W75-I189 PolarHBondContact O-N 3.32Å
190D82.3Confident64.1Low10 Ų1060.9 Ų60.95%0.05336%0.364CS..SBendtrans-108.5-1.8-167.166.7-38.4000114.8M76 V77 S188 V192 S193 Y194M76-D190 WeakPolarHBondContact CA-OD1 3.25Å; V77-D190 WeakPolarHBondContact CG2-OD1 3.49Å; V77-D190 PolarHBondContact N-OD1 2.73Å; S188-D190 VanDerWaalsContact C-N 3.32Å; S188-D190 PolarHBondContact O-N 3.19Å; D190-V192 PolarHBondContact O-N 3.26Å; D190-V192 VanDerWaalsContact O-N 3.12Å; D190-S193 WeakPolarHBondContact O-CB 3.44Å; D190-S193 PolarHBondContact O-N 3.37Å; D190-Y194 WeakPolarHBondContact O-CB 3.47Å; D190-Y194 PolarHBondContact O-N 3.03Å
191A79.8Confident65.1Low0 Ų068 Ų680%037%0.367CS..Hα-helixtrans-54-35-17900000114.7V77 S186 S188 Y194 L195 R258 D259 I262V77-A191 HydrophobicContact CG2-CB 4.23Å; S186-A191 WeakPolarHBondContact OG-CB 3.25Å; S188-A191 WeakPolarHBondContact OG-CB 3.49Å; S188-A191 PolarHBondContact OG-N 2.96Å; A191-Y194 PolarHBondContact O-N 3.25Å; A191-L195 WeakPolarHBondContact O-CG 3.07Å; A191-L195 PolarHBondContact O-N 3.35Å; A191-R258 HydrophobicContact CB-CB 4.28Å; A191-D259 HydrophobicContact CB-CB 3.98Å; A191-I262 HydrophobicContact CB-CD1 4.12Å
192V76.1Confident66.2Low57 Ų5767.7 Ų67.735%0.34536%0.36SS..Hα-helixtrans-63.3-47.1178.5-177.90000110.4V184 D190 T196V184-V192 HydrophobicContact CB-CG2 4.46Å; V184-V192 HydrophobicContact CG1-CG2 3.66Å; D190-V192 PolarHBondContact O-N 3.26Å; D190-V192 VanDerWaalsContact O-N 3.12Å; V192-T196 WeakPolarHBondContact O-CG2 3.46Å
193S73Confident67.4Low51 Ų5164.7 Ų64.736%0.35733%0.334SS..Hα-helixtrans-65.7-43.2177.3-59.10000110.6D190 L195 T196 Q199D190-S193 WeakPolarHBondContact O-CB 3.44Å; D190-S193 PolarHBondContact O-N 3.37Å; S193-L195 PolarHBondContact O-N 2.98Å; S193-L195 VanDerWaalsContact O-N 3.15Å; S193-T196 PolarHBondContact O-N 2.94Å; S193-T196 PolarHBondContact O-OG1 3.03Å; S193-Q199 VanDerWaalsContact CB-OE1 3.31Å; S193-Q199 PolarHBondContact O-OE1 3.43Å
194Y76.4Confident68.7Low12 Ų1261 Ų615%0.04731%0.312CS..Hα-helixtrans-55.3-35179.7-155.3-86.7000114.2V77 F81 D190 A191 L205 M206 I262V77-Y194 HydrophobicContact CB-CD2 3.82Å; V77-Y194 HydrophobicContact CB-CE2 4.01Å; V77-Y194 HydrophobicContact CB-CG 4.31Å; V77-Y194 HydrophobicContact CG1-CD1 4.15Å; V77-Y194 HydrophobicContact CG1-CD2 3.62Å; V77-Y194 HydrophobicContact CG1-CE1 3.98Å; V77-Y194 HydrophobicContact CG1-CE2 3.44Å; V77-Y194 VanDerWaalsContact CG1-CE2 3.44Å; V77-Y194 HydrophobicContact CG1-CG 3.97Å; V77-Y194 HydrophobicContact CG2-CD2 4.2Å; V77-Y194 HydrophobicContact CG2-CG 4.26Å; F81-Y194 HydrophobicContact CE2-CE1 4.23Å; F81-Y194 AromaticContact CE2-CZ 3.79Å; F81-Y194 WeakPolarHBondContact CE2-OH 3.37Å; D190-Y194 WeakPolarHBondContact O-CB 3.47Å; D190-Y194 PolarHBondContact O-N 3.03Å; A191-Y194 PolarHBondContact O-N 3.25Å; Y194-L205 HydrophobicContact CD1-CD1 4.23Å; Y194-L205 HydrophobicContact CD2-CD1 4.09Å; Y194-L205 HydrophobicContact CD2-CD2 4.39Å; Y194-L205 HydrophobicContact CE1-CB 4.19Å; Y194-L205 HydrophobicContact CE1-CD1 4.32Å; Y194-L205 HydrophobicContact CE2-CB 4.17Å; Y194-L205 HydrophobicContact CE2-CD1 4.17Å; Y194-L205 HydrophobicContact CE2-CD2 4.02Å; Y194-L205 HydrophobicContact CE2-CG 4.35Å; Y194-L205 HydrophobicContact CG-CD1 4.12Å; Y194-L205 WeakPolarHBondContact O-CD1 3.4Å; Y194-M206 VanDerWaalsContact OH-CA 3.25Å; Y194-M206 WeakPolarHBondContact OH-CA 3.46Å; Y194-M206 WeakPolarHBondContact OH-CB 3.27Å; Y194-M206 PolarHBondContact OH-N 3.35Å; Y194-M206 PolarHBondContact OH-O 2.88Å; Y194-I262 HydrophobicContact CD1-CD1 3.62Å; Y194-I262 HydrophobicContact CD1-CG1 4.11Å; Y194-I262 HydrophobicContact CD1-CG2 4.16Å; Y194-I262 HydrophobicContact CE1-CD1 4.37Å; Y194-I262 HydrophobicContact CE1-CG2 3.85Å; Y194-I262 HydrophobicContact CG-CD1 3.95Å
195L71.6Confident70.3Confident28 Ų2858.2 Ų58.215%0.14729%0.294CS..THydrogen-bonded Turntrans-87-6.2-179.2-66-179.9000113.9A191 S193 R258 L261 I262A191-L195 WeakPolarHBondContact O-CG 3.07Å; A191-L195 PolarHBondContact O-N 3.35Å; S193-L195 PolarHBondContact O-N 2.98Å; S193-L195 VanDerWaalsContact O-N 3.15Å; L195-R258 HydrophobicContact CD1-CB 3.73Å; L195-R258 HydrophobicContact CD1-CG 4.02Å; L195-L261 HydrophobicContact CD1-CD1 4.48Å; L195-I262 HydrophobicContact CD2-CD1 4.27Å; L195-I262 HydrophobicContact CD2-CG1 3.69Å; L195-I262 HydrophobicContact CG-CD1 4.35Å; L195-I262 HydrophobicContact CG-CG1 4.24Å
196T72.6Confident71.7Confident49 Ų4957 Ų5730%0.30129%0.285SS..  trans-70.1133.9-178.2670000111.1V192 S193 R198 Q199 R200V192-T196 WeakPolarHBondContact O-CG2 3.46Å; S193-T196 PolarHBondContact O-N 2.94Å; S193-T196 PolarHBondContact O-OG1 3.03Å; T196-R198 PolarHBondContact O-N 3.03Å; T196-Q199 PolarHBondContact O-N 3.03Å; T196-Q199 WeakPolarHBondContact OG1-CB 3.39Å; T196-Q199 PolarHBondContact OG1-OE1 2.97Å; T196-R200 PolarHBondContact O-N 2.99Å
197P60.4Low72.7Confident89 Ų8957.9 Ų57.958%0.57829%0.292SS*.Hα-helixtrans-57.5-35-177.8-27.334.4000113.8Q199 R201P197-Q199 VanDerWaalsContact C-N 3.28Å; P197-Q199 PolarHBondContact O-N 3.43Å; P197-R201 WeakPolarHBondContact O-CB 3.37Å; P197-R201 WeakPolarHBondContact O-CG 3.3Å; P197-R201 PolarHBondContact O-N 3.36Å; P197-R201 VanDerWaalsContact O-N 3.11Å
198R60.8Low73.8Confident217 Ų21757.5 Ų57.582%0.81929%0.286SS*.Hα-helixtrans-61.4-38.7177.5-169.4176.3-177.6-177.60.8111.5T196 S202T196-R198 PolarHBondContact O-N 3.03Å; R198-S202 WeakPolarHBondContact O-CB 3.43Å; R198-S202 PolarHBondContact O-N 3.32Å; R198-S202 PolarHBondContact O-OG 3.35Å
199Q62.7Low74.6Confident34 Ų3458.4 Ų58.416%0.15929%0.292CS..Hα-helixtrans-82.9-38.6-174.5-148.4157-5.300111.2S193 T196 P197 R201 S202 Q203 L205S193-Q199 VanDerWaalsContact CB-OE1 3.31Å; S193-Q199 PolarHBondContact O-OE1 3.43Å; T196-Q199 PolarHBondContact O-N 3.03Å; T196-Q199 WeakPolarHBondContact OG1-CB 3.39Å; T196-Q199 PolarHBondContact OG1-OE1 2.97Å; P197-Q199 VanDerWaalsContact C-N 3.28Å; P197-Q199 PolarHBondContact O-N 3.43Å; Q199-R201 VanDerWaalsContact C-N 3.35Å; Q199-R201 PolarHBondContact O-N 3.3Å; Q199-S202 PolarHBondContact O-N 2.9Å; Q199-Q203 HydrophobicContact CG-CG 4.37Å; Q199-Q203 WeakPolarHBondContact O-CB 3.28Å; Q199-Q203 PolarHBondContact O-N 2.88Å; Q199-L205 HydrophobicContact CB-CD1 4.41Å; Q199-L205 HydrophobicContact CG-CD1 4.35Å
200R60.5Low75.3Confident143 Ų14356.2 Ų56.254%0.5428%0.279SS..Hα-helixtrans-57.8-42.6170-74.8-178.6173.2-173.7-6.5113.1T196 L205T196-R200 PolarHBondContact O-N 2.99Å; R200-L205 HydrophobicContact CG-CD1 4.36Å
201R57.8Low76.1Confident226 Ų22655.7 Ų55.785%0.85328%0.277SS*.Hα-helixtrans-76.8-27.3-178.6-70.6178.7-177.4174.91113.9P197 Q199P197-R201 WeakPolarHBondContact O-CB 3.37Å; P197-R201 WeakPolarHBondContact O-CG 3.3Å; P197-R201 PolarHBondContact O-N 3.36Å; P197-R201 VanDerWaalsContact O-N 3.11Å; Q199-R201 VanDerWaalsContact C-N 3.35Å; Q199-R201 PolarHBondContact O-N 3.3Å
202S57.3Low77Confident84 Ų8455.7 Ų55.759%0.58728%0.277SS*.Hα-helixtrans-101.9-22.7-172.458.60000115.1R198 Q199R198-S202 WeakPolarHBondContact O-CB 3.43Å; R198-S202 PolarHBondContact O-N 3.32Å; R198-S202 PolarHBondContact O-OG 3.35Å; Q199-S202 PolarHBondContact O-N 2.9Å
203Q61.7Low78Confident41 Ų4153 Ų5319%0.19226%0.26CS..Hα-helixtrans-114.40.6-169.1-64.4-179.8-700115V126 Q199 L205V126-Q203 VanDerWaalsContact CG1-NE2 3.29Å; Q199-Q203 HydrophobicContact CG-CG 4.37Å; Q199-Q203 WeakPolarHBondContact O-CB 3.28Å; Q199-Q203 PolarHBondContact O-N 2.88Å; Q203-L205 HydrophobicContact CB-CD2 3.89Å; Q203-L205 HydrophobicContact CB-CG 4.14Å; Q203-L205 PolarHBondContact O-N 2.79Å
204G72.1Confident79.2Confident20 Ų2050.6 Ų50.621%0.20624%0.243CC..  trans59.633.2178.900000113.3Y113 K210Y113-G204 PolarHBondContact OH-O 3.37Å; G204-K210 PolarHBondContact O-NZ 3Å; G204-K210 VanDerWaalsContact O-NZ 3.13Å
205L85Confident80.2Confident13 Ų1350 Ų507%0.06824%0.242CC..  trans-50.9149.2-173.1-63.8179.9000113.6Y113 Y194 Q199 R200 Q203 K210Y113-L205 VanDerWaalsContact OH-C 3.27Å; Y113-L205 VanDerWaalsContact OH-CA 3.32Å; Y113-L205 WeakPolarHBondContact OH-CA 3.42Å; Y194-L205 HydrophobicContact CD1-CD1 4.23Å; Y194-L205 HydrophobicContact CD2-CD1 4.09Å; Y194-L205 HydrophobicContact CD2-CD2 4.39Å; Y194-L205 HydrophobicContact CE1-CB 4.19Å; Y194-L205 HydrophobicContact CE1-CD1 4.32Å; Y194-L205 HydrophobicContact CE2-CB 4.17Å; Y194-L205 HydrophobicContact CE2-CD1 4.17Å; Y194-L205 HydrophobicContact CE2-CD2 4.02Å; Y194-L205 HydrophobicContact CE2-CG 4.35Å; Y194-L205 HydrophobicContact CG-CD1 4.12Å; Y194-L205 WeakPolarHBondContact O-CD1 3.4Å; Q199-L205 HydrophobicContact CB-CD1 4.41Å; Q199-L205 HydrophobicContact CG-CD1 4.35Å; R200-L205 HydrophobicContact CG-CD1 4.36Å; Q203-L205 HydrophobicContact CB-CD2 3.89Å; Q203-L205 HydrophobicContact CB-CG 4.14Å; Q203-L205 PolarHBondContact O-N 2.79Å; L205-K210 WeakPolarHBondContact O-CD 3.42Å; L205-K210 PolarHBondContact O-NZ 3.34Å
206M91.9Very high81.5Confident4 Ų449.4 Ų49.42%0.0224%0.238CC..  trans-67.8149.8-177-170.252.675.800110F81 W110 Y113 Y194 K210 T211 L214F81-M206 HydrophobicContact CB-CG 3.84Å; F81-M206 HydrophobicContact CD1-CG 3.73Å; F81-M206 HydrophobicContact CD2-CB 3.72Å; F81-M206 HydrophobicContact CD2-CG 3.71Å; F81-M206 HydrophobicContact CE1-CG 4.17Å; F81-M206 HydrophobicContact CE2-CB 3.94Å; F81-M206 HydrophobicContact CE2-CG 4.15Å; F81-M206 HydrophobicContact CG-CB 4.04Å; F81-M206 HydrophobicContact CG-CG 3.47Å; F81-M206 VanDerWaalsContact CG-CG 3.47Å; F81-M206 HydrophobicContact CZ-CB 4.44Å; F81-M206 HydrophobicContact CZ-CG 4.35Å; W110-M206 HydrophobicContact CE3-CE 4.05Å; W110-M206 HydrophobicContact CZ3-CE 3.57Å; W110-M206 HydrophobicContact CZ3-CG 4.29Å; Y113-M206 HydrophobicContact CD1-CE 3.83Å; Y113-M206 HydrophobicContact CD2-CE 3.85Å; Y113-M206 HydrophobicContact CE1-CB 4Å; Y113-M206 HydrophobicContact CE1-CE 3.84Å; Y113-M206 HydrophobicContact CE2-CE 3.87Å; Y113-M206 HydrophobicContact CG-CE 3.85Å; Y113-M206 PolarHBondContact OH-N 3.21Å; Y194-M206 VanDerWaalsContact OH-CA 3.25Å; Y194-M206 WeakPolarHBondContact OH-CA 3.46Å; Y194-M206 WeakPolarHBondContact OH-CB 3.27Å; Y194-M206 PolarHBondContact OH-N 3.35Å; Y194-M206 PolarHBondContact OH-O 2.88Å; M206-K210 HydrophobicContact CE-CB 4.46Å; M206-K210 HydrophobicContact SD-CB 3.33Å; M206-K210 WeakPolarHBondContact SD-CB 3.4Å; M206-K210 HydrophobicContact SD-CD 4.47Å; M206-T211 HydrophobicContact CG-CG2 4.33Å; M206-T211 HydrophobicContact SD-CG2 4.22Å; M206-L214 HydrophobicContact CE-CD2 4.48Å
207S92.9Very high82.7Confident37 Ų3747.1 Ų47.126%0.25922%0.224SC..  trans-145.2163.8177.164.90000108.1K210 T211S207-K210 WeakPolarHBondContact O-CA 3.46Å; S207-K210 WeakPolarHBondContact O-CB 3.46Å; S207-K210 PolarHBondContact O-N 3.31Å; S207-K210 WeakPolarHBondContact OG-CG 3.45Å; S207-K210 PolarHBondContact OG-N 3.28Å; S207-T211 WeakPolarHBondContact O-CG2 3.43Å; S207-T211 PolarHBondContact O-N 3.18Å; S207-T211 VanDerWaalsContact O-N 3.11Å
208M94.8Very high84.5Confident7 Ų742.9 Ų42.93%0.03420%0.196CC..Hα-helixtrans-53.6-48.7176.6-65.2-61.8-67.200111.9F81 I84 K210 T211 Y242 A245 F263 V265F81-M208 HydrophobicContact CD1-SD 4.45Å; F81-M208 HydrophobicContact CE1-CG 4.43Å; F81-M208 HydrophobicContact CE1-SD 3.92Å; I84-M208 HydrophobicContact CD1-CE 3.95Å; I84-M208 HydrophobicContact CD1-SD 3.62Å; I84-M208 HydrophobicContact CG2-CE 4.27Å; M208-K210 VanDerWaalsContact C-N 3.27Å; M208-K210 PolarHBondContact O-N 2.94Å; M208-T211 PolarHBondContact O-N 3.33Å; M208-T211 VanDerWaalsContact O-N 3.07Å; M208-T211 PolarHBondContact O-OG1 2.9Å; M208-Y242 HydrophobicContact CB-CE2 3.8Å; M208-Y242 HydrophobicContact CE-CD2 4.11Å; M208-Y242 HydrophobicContact CE-CE2 4.23Å; M208-Y242 VanDerWaalsContact CE-O 3.27Å; M208-Y242 WeakPolarHBondContact CE-O 3.12Å; M208-Y242 WeakPolarHBondContact O-CE2 3.16Å; M208-A245 HydrophobicContact CE-CB 4.41Å; M208-F263 HydrophobicContact SD-CD1 4.37Å; M208-V265 HydrophobicContact CB-CG2 3.98Å; M208-V265 HydrophobicContact CE-CG2 3.7Å; M208-V265 HydrophobicContact CG-CG2 3.76Å
209P96.1Very high86.2Confident24 Ų2432.5 Ų32.516%0.15616%0.157CC..Hα-helixtrans-58-36.7174.3-26.635.1000113.9T211 L212 A213 P269 L274P209-T211 VanDerWaalsContact C-N 3.28Å; P209-T211 PolarHBondContact O-N 2.71Å; P209-L212 PolarHBondContact O-N 3.26Å; P209-A213 PolarHBondContact O-N 3.07Å; P209-P269 HydrophobicContact CB-CB 4.33Å; P209-P269 HydrophobicContact CB-CG 4.44Å; P209-P269 HydrophobicContact CG-CB 4.48Å; P209-L274 WeakPolarHBondContact O-CD1 3.4Å
210K96.2Very high87.7Confident34 Ų3431.2 Ų31.215%0.14815%0.151CC..Hα-helixtrans-69.1-23.8178.7-74.3177.2179.6179.10113.2G204 L205 M206 S207 M208 A213 L214 E277G204-K210 PolarHBondContact O-NZ 3Å; G204-K210 VanDerWaalsContact O-NZ 3.13Å; L205-K210 WeakPolarHBondContact O-CD 3.42Å; L205-K210 PolarHBondContact O-NZ 3.34Å; M206-K210 HydrophobicContact CE-CB 4.46Å; M206-K210 HydrophobicContact SD-CB 3.33Å; M206-K210 WeakPolarHBondContact SD-CB 3.4Å; M206-K210 HydrophobicContact SD-CD 4.47Å; S207-K210 WeakPolarHBondContact O-CA 3.46Å; S207-K210 WeakPolarHBondContact O-CB 3.46Å; S207-K210 PolarHBondContact O-N 3.31Å; S207-K210 WeakPolarHBondContact OG-CG 3.45Å; S207-K210 PolarHBondContact OG-N 3.28Å; M208-K210 VanDerWaalsContact C-N 3.27Å; M208-K210 PolarHBondContact O-N 2.94Å; K210-A213 PolarHBondContact O-N 3.41Å; K210-L214 WeakPolarHBondContact O-CB 3.48Å; K210-L214 PolarHBondContact O-N 2.85Å; K210-E277 WeakPolarHBondContact CE-OE2 3.42Å; K210-E277 WeakPolarHBondContact CG-OE2 3.2Å
211T98Very high89.4Confident0 Ų027.8 Ų27.80%014%0.138CC..Hα-helixtrans-65.8-46.6172.678.60000110.3F81 L85 Q88 M206 S207 M208 P209 A213 L214 C215F81-T211 HydrophobicContact CD1-CG2 3.66Å; F81-T211 HydrophobicContact CE1-CG2 4.28Å; L85-T211 HydrophobicContact CD2-CG2 4.42Å; L85-T211 HydrophobicContact CG-CG2 4.27Å; Q88-T211 PolarHBondContact NE2-OG1 3.27Å; Q88-T211 PolarHBondContact OE1-OG1 3.2Å; M206-T211 HydrophobicContact CG-CG2 4.33Å; M206-T211 HydrophobicContact SD-CG2 4.22Å; S207-T211 WeakPolarHBondContact O-CG2 3.43Å; S207-T211 PolarHBondContact O-N 3.18Å; S207-T211 VanDerWaalsContact O-N 3.11Å; M208-T211 PolarHBondContact O-N 3.33Å; M208-T211 VanDerWaalsContact O-N 3.07Å; M208-T211 PolarHBondContact O-OG1 2.9Å; P209-T211 VanDerWaalsContact C-N 3.28Å; P209-T211 PolarHBondContact O-N 2.71Å; T211-A213 VanDerWaalsContact C-N 3.33Å; T211-A213 PolarHBondContact O-N 2.68Å; T211-L214 PolarHBondContact O-N 3.3Å; T211-C215 PolarHBondContact O-N 3.28Å; T211-C215 PolarHBondContact O-SG 2.91Å; T211-C215 VanDerWaalsContact O-SG 3.37Å
212L98.3Very high91.2Very high0 Ų018.6 Ų18.60%011%0.11CC..Hα-helixtrans-64.3-37.7174.4-64.6-178.1000111.9P209 L214 C215 H216 V235 I240 Y242 P269 L274P209-L212 PolarHBondContact O-N 3.26Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 2.64Å; L212-C215 PolarHBondContact O-N 2.87Å; L212-H216 WeakPolarHBondContact O-CB 3.41Å; L212-H216 PolarHBondContact O-N 3.27Å; L212-V235 HydrophobicContact CD1-CG1 4.42Å; L212-V235 HydrophobicContact CD1-CG2 4.02Å; L212-V235 HydrophobicContact CD2-CG2 3.76Å; L212-I240 HydrophobicContact CD2-CG2 4.45Å; L212-Y242 HydrophobicContact CD1-CD2 3.51Å; L212-Y242 HydrophobicContact CD1-CE2 3.44Å; L212-Y242 VanDerWaalsContact CD1-CE2 3.44Å; L212-Y242 HydrophobicContact CD1-CG 4.14Å; L212-Y242 HydrophobicContact CD2-CD2 4.04Å; L212-Y242 HydrophobicContact CG-CD2 3.67Å; L212-Y242 HydrophobicContact CG-CE2 3.7Å; L212-P269 HydrophobicContact CD1-CG 4.05Å; L212-L274 HydrophobicContact CB-CD1 3.83Å; L212-L274 HydrophobicContact CB-CD2 3.89Å; L212-L274 HydrophobicContact CD1-CD2 4.42Å
213A98Very high92.9Very high0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-63.4-40.8176.900000111.4P209 K210 T211 H216 L217 L274 E277 A278 L281P209-A213 PolarHBondContact O-N 3.07Å; K210-A213 PolarHBondContact O-N 3.41Å; T211-A213 VanDerWaalsContact C-N 3.33Å; T211-A213 PolarHBondContact O-N 2.68Å; A213-H216 PolarHBondContact O-N 2.79Å; A213-L217 WeakPolarHBondContact O-CG 3.3Å; A213-L217 PolarHBondContact O-N 3.4Å; A213-L274 HydrophobicContact CB-CD1 3.9Å; A213-E277 HydrophobicContact CB-CB 4.14Å; A213-A278 HydrophobicContact CB-CB 4.09Å; A213-L281 HydrophobicContact CB-CD2 4.17Å
214L97.9Very high94.4Very high0 Ų019.8 Ų19.80%010%0.102CC..Hα-helixtrans-65-42.9175.7-161.473.2000111.2L85 L106 F109 W110 M206 K210 T211 L212 L217 A218 L281 L285L85-L214 HydrophobicContact CD1-CD2 3.87Å; L85-L214 HydrophobicContact CD2-CB 4.41Å; L85-L214 HydrophobicContact CD2-CD2 4.13Å; L106-L214 HydrophobicContact CD1-CB 4.4Å; L106-L214 HydrophobicContact CD1-CD2 3.94Å; L106-L214 HydrophobicContact CD1-CG 3.84Å; F109-L214 HydrophobicContact CB-CD1 3.88Å; F109-L214 HydrophobicContact CB-CG 4.3Å; F109-L214 HydrophobicContact CD2-CD1 4.5Å; W110-L214 HydrophobicContact CB-CD2 4.29Å; W110-L214 HydrophobicContact CE3-CD2 4.2Å; M206-L214 HydrophobicContact CE-CD2 4.48Å; K210-L214 WeakPolarHBondContact O-CB 3.48Å; K210-L214 PolarHBondContact O-N 2.85Å; T211-L214 PolarHBondContact O-N 3.3Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 2.64Å; L214-L217 PolarHBondContact O-N 3.13Å; L214-A218 WeakPolarHBondContact O-CB 3.41Å; L214-A218 PolarHBondContact O-N 3Å; L214-L281 HydrophobicContact CB-CD2 3.99Å; L214-L281 HydrophobicContact CD1-CD2 3.73Å; L214-L281 HydrophobicContact CD1-CG 4.33Å; L214-L281 HydrophobicContact CG-CD2 4.49Å; L214-L285 HydrophobicContact CD1-CD1 3.87Å
215C98.3Very high95.2Very high1 Ų120.6 Ų20.61%0.00711%0.106CC..Hα-helixtrans-60-45.6172.7-67.80000111.7L92 T211 L212 L217 A218 L219L92-C215 HydrophobicContact CD1-CB 4.3Å; T211-C215 PolarHBondContact O-N 3.28Å; T211-C215 PolarHBondContact O-SG 2.91Å; T211-C215 VanDerWaalsContact O-SG 3.37Å; L212-C215 PolarHBondContact O-N 2.87Å; C215-L217 PolarHBondContact O-N 3.2Å; C215-A218 PolarHBondContact O-N 3.16Å; C215-L219 WeakPolarHBondContact O-CG 3.42Å; C215-L219 PolarHBondContact O-N 2.98Å
216H97.8Very high95.6Very high15 Ų1521.1 Ų21.17%0.06911%0.109CC..Hα-helixtrans-60.4-45.8177.617751.7000112.5L212 A213 A218 L219 L220 L228 L231L212-H216 WeakPolarHBondContact O-CB 3.41Å; L212-H216 PolarHBondContact O-N 3.27Å; A213-H216 PolarHBondContact O-N 2.79Å; H216-A218 VanDerWaalsContact C-N 3.31Å; H216-A218 PolarHBondContact O-N 3.25Å; H216-L219 PolarHBondContact O-N 3.21Å; H216-L220 WeakPolarHBondContact O-CB 3.24Å; H216-L220 PolarHBondContact O-N 3.08Å; H216-L228 HydrophobicContact CB-CD1 4.29Å; H216-L231 HydrophobicContact CB-CD2 3.8Å
217L97.7Very high95.8Very high0 Ų021.1 Ų21.10%011%0.11CC..Hα-helixtrans-61.3-41.2175.3-69.6174.1000111.5F109 A213 L214 C215 L220 W221 A278 L281 A282 L287 F290 F337F109-L217 HydrophobicContact CD2-CB 4.26Å; F109-L217 HydrophobicContact CE2-CB 3.93Å; A213-L217 WeakPolarHBondContact O-CG 3.3Å; A213-L217 PolarHBondContact O-N 3.4Å; L214-L217 PolarHBondContact O-N 3.13Å; C215-L217 PolarHBondContact O-N 3.2Å; L217-L220 PolarHBondContact O-N 3.34Å; L217-W221 WeakPolarHBondContact O-CB 3.38Å; L217-W221 PolarHBondContact O-N 3.06Å; L217-A278 WeakPolarHBondContact CD1-O 3.43Å; L217-A278 HydrophobicContact CD2-CB 4.15Å; L217-A278 HydrophobicContact CG-CB 4.15Å; L217-L281 HydrophobicContact CD1-CB 4.25Å; L217-L281 HydrophobicContact CD1-CD2 4.36Å; L217-L281 HydrophobicContact CD1-CG 4.33Å; L217-A282 HydrophobicContact CD1-CB 4Å; L217-A282 HydrophobicContact CD2-CB 4.04Å; L217-L287 HydrophobicContact CD1-CD1 4.24Å; L217-F290 HydrophobicContact CB-CZ 4.41Å; L217-F290 HydrophobicContact CD2-CZ 4.05Å; L217-F290 WeakPolarHBondContact O-CE1 3.45Å; L217-F337 HydrophobicContact CD2-CE1 3.96Å
218A97.8Very high95.9Very high0 Ų019.5 Ų19.50%010%0.098CC..Hα-helixtrans-67-38178.100000112F101 V105 L106 F109 L214 C215 H216 L220 W221 A222F101-A218 HydrophobicContact CD2-CB 3.81Å; F101-A218 VanDerWaalsContact CE2-C 3.49Å; F101-A218 HydrophobicContact CE2-CB 3.33Å; F101-A218 HydrophobicContact CZ-CB 4.21Å; V105-A218 HydrophobicContact CB-CB 4.47Å; V105-A218 HydrophobicContact CG1-CB 3.75Å; L106-A218 HydrophobicContact CB-CB 3.95Å; L106-A218 HydrophobicContact CD1-CB 3.99Å; F109-A218 HydrophobicContact CD2-CB 4.19Å; F109-A218 HydrophobicContact CE2-CB 4.39Å; L214-A218 WeakPolarHBondContact O-CB 3.41Å; L214-A218 PolarHBondContact O-N 3Å; C215-A218 PolarHBondContact O-N 3.16Å; H216-A218 VanDerWaalsContact C-N 3.31Å; H216-A218 PolarHBondContact O-N 3.25Å; A218-L220 VanDerWaalsContact C-N 3.35Å; A218-W221 PolarHBondContact O-N 3.09Å; A218-A222 WeakPolarHBondContact O-CB 3.37Å; A218-A222 PolarHBondContact O-N 3.29Å
219L96.6Very high96Very high0 Ų019.5 Ų19.50%010%0.099CC..Hα-helixtrans-63.5-43.7175.8-73.9168.6000110.3L92 V97 F101 C215 H216 A222 R223 E224 I226 L231L92-L219 HydrophobicContact CD1-CD1 4.44Å; L92-L219 HydrophobicContact CD2-CD1 4.29Å; V97-L219 HydrophobicContact CG1-CD2 4.07Å; V97-L219 HydrophobicContact CG2-CD2 4.01Å; F101-L219 HydrophobicContact CD2-CD2 3.9Å; F101-L219 HydrophobicContact CD2-CG 4.19Å; F101-L219 HydrophobicContact CE2-CB 4.26Å; F101-L219 HydrophobicContact CE2-CD2 3.68Å; F101-L219 HydrophobicContact CE2-CG 3.58Å; F101-L219 VanDerWaalsContact CE2-N 3.31Å; F101-L219 HydrophobicContact CG-CD2 4.46Å; F101-L219 HydrophobicContact CZ-CD2 4.07Å; F101-L219 HydrophobicContact CZ-CG 4.08Å; C215-L219 WeakPolarHBondContact O-CG 3.42Å; C215-L219 PolarHBondContact O-N 2.98Å; H216-L219 PolarHBondContact O-N 3.21Å; L219-A222 CarbonylContact O-C 3.56Å; L219-A222 PolarHBondContact O-N 3Å; L219-R223 PolarHBondContact O-N 3.07Å; L219-E224 HydrophobicContact CB-CB 4.45Å; L219-E224 HydrophobicContact CD2-CB 3.86Å; L219-E224 HydrophobicContact CD2-CG 4.11Å; L219-E224 PolarHBondContact O-N 3.07Å; L219-I226 HydrophobicContact CD1-CB 4.16Å; L219-I226 HydrophobicContact CD1-CG2 3.95Å; L219-I226 HydrophobicContact CD2-CB 4.45Å; L219-L231 HydrophobicContact CD1-CD1 4.44Å
220L95.6Very high96Very high6 Ų618.7 Ų18.73%0.0319%0.093CC..Hα-helixtrans-63.4-42176.7-178.763000112H216 L217 A218 A222 R223 F290 I293 L299 F337 L346 Y349H216-L220 WeakPolarHBondContact O-CB 3.24Å; H216-L220 PolarHBondContact O-N 3.08Å; L217-L220 PolarHBondContact O-N 3.34Å; A218-L220 VanDerWaalsContact C-N 3.35Å; L220-A222 VanDerWaalsContact C-N 3.34Å; L220-R223 PolarHBondContact O-N 2.01Å; L220-R223 VanDerWaalsContact O-N 3.14Å; L220-F290 HydrophobicContact CB-CD1 4.33Å; L220-F290 HydrophobicContact CB-CE1 4.14Å; L220-F290 HydrophobicContact CD2-CD1 3.92Å; L220-F290 HydrophobicContact CD2-CE1 3.96Å; L220-F290 HydrophobicContact CG-CD1 3.82Å; L220-F290 HydrophobicContact CG-CE1 4.04Å; L220-I293 HydrophobicContact CD1-CD1 4.24Å; L220-I293 HydrophobicContact CD1-CG1 4.5Å; L220-L299 HydrophobicContact CD1-CD1 3.94Å; L220-F337 HydrophobicContact CD2-CB 4.14Å; L220-F337 HydrophobicContact CD2-CD1 4.16Å; L220-F337 HydrophobicContact CD2-CG 4.49Å; L220-L346 HydrophobicContact CD2-CD1 3.53Å; L220-Y349 HydrophobicContact CD1-CD2 4.37Å; L220-Y349 HydrophobicContact CD1-CE2 3.54Å; L220-Y349 HydrophobicContact CD2-CE2 4.42Å
221W95.8Very high96Very high71 Ų7117.1 Ų17.127%0.2699%0.086SC..Hα-helixtrans-64.4-39.6176.6-177.4-76.5000111.9V105 F109 L217 A218 R223 P288 F290 P291V105-W221 HydrophobicContact CG1-CB 3.74Å; V105-W221 VanDerWaalsContact CG1-CD1 3.49Å; V105-W221 HydrophobicContact CG1-CG 3.71Å; F109-W221 HydrophobicContact CE1-CD2 4.32Å; F109-W221 HydrophobicContact CE1-CE3 4.38Å; F109-W221 HydrophobicContact CE2-CB 4.36Å; F109-W221 HydrophobicContact CZ-CB 3.98Å; F109-W221 AromaticContact CZ-CD2 3.87Å; F109-W221 HydrophobicContact CZ-CD2 3.87Å; F109-W221 AromaticContact CZ-CE3 3.83Å; F109-W221 HydrophobicContact CZ-CE3 3.83Å; F109-W221 AromaticContact CZ-CG 3.95Å; F109-W221 HydrophobicContact CZ-CG 3.95Å; L217-W221 WeakPolarHBondContact O-CB 3.38Å; L217-W221 PolarHBondContact O-N 3.06Å; A218-W221 PolarHBondContact O-N 3.09Å; W221-R223 PolarHBondContact O-N 3.46Å; W221-P288 HydrophobicContact CH2-CG 3.64Å; W221-P288 HydrophobicContact CZ3-CG 3.87Å; W221-F290 HydrophobicContact CB-CD1 4.05Å; W221-F290 HydrophobicContact CB-CE1 3.86Å; W221-F290 HydrophobicContact CE3-CB 4.45Å; W221-F290 AromaticContact CE3-CD1 3.89Å; W221-F290 HydrophobicContact CE3-CD1 3.89Å; W221-F290 AromaticContact CE3-CD2 3.87Å; W221-F290 HydrophobicContact CE3-CD2 3.87Å; W221-F290 HydrophobicContact CE3-CE1 4.02Å; W221-F290 AromaticContact CE3-CE2 3.99Å; W221-F290 HydrophobicContact CE3-CE2 3.99Å; W221-F290 AromaticContact CE3-CG 3.81Å; W221-F290 HydrophobicContact CE3-CG 3.81Å; W221-F290 HydrophobicContact CE3-CZ 4.06Å; W221-F290 HydrophobicContact CZ3-CD2 4.05Å; W221-F290 HydrophobicContact CZ3-CE2 4.33Å; W221-F290 HydrophobicContact CZ3-CG 4.27Å; W221-P291 HydrophobicContact CD2-CG 4.39Å
222A94.9Very high95.9Very high33 Ų3318 Ų1827%0.2739%0.091SC..Hα-helixtrans-74.2-10.1174.800000113.5F101 A218 L219 L220 E224F101-A222 HydrophobicContact CB-CB 4.16Å; F101-A222 HydrophobicContact CD2-CB 4.41Å; A218-A222 WeakPolarHBondContact O-CB 3.37Å; A218-A222 PolarHBondContact O-N 3.29Å; L219-A222 CarbonylContact O-C 3.56Å; L219-A222 PolarHBondContact O-N 3Å; L220-A222 VanDerWaalsContact C-N 3.34Å; A222-E224 VanDerWaalsContact C-N 3.25Å; A222-E224 HydrophobicContact CB-CG 3.75Å; A222-E224 PolarHBondContact O-N 3.35Å
223R93.6Very high95.7Very high115 Ų11519.4 Ų19.443%0.43410%0.096SC..THydrogen-bonded Turntrans59.234.1-175.8-55.6-177.8-72.5-176.11.2113.4L219 L220 W221 P291 P292 I293L219-R223 PolarHBondContact O-N 3.07Å; L220-R223 PolarHBondContact O-N 2.01Å; L220-R223 VanDerWaalsContact O-N 3.14Å; W221-R223 PolarHBondContact O-N 3.46Å; R223-P291 HydrophobicContact CG-CB 4.4Å; R223-P292 PolarHBondContact NH1-O 3.33Å; R223-I293 HydrophobicContact CB-CD1 4.39Å; R223-I293 HydrophobicContact CG-CD1 3.71Å
224E93.1Very high95.6Very high36 Ų3619.8 Ų19.817%0.16810%0.098CC..  trans-72.6144.8178.1-68.6-70.7175.300111.4V97 C98 L219 A222 I226 L299V97-E224 HydrophobicContact CG1-CG 3.89Å; C98-E224 WeakPolarHBondContact CB-OE1 3.47Å; C98-E224 PolarHBondContact N-OE1 3.38Å; L219-E224 HydrophobicContact CB-CB 4.45Å; L219-E224 HydrophobicContact CD2-CB 3.86Å; L219-E224 HydrophobicContact CD2-CG 4.11Å; L219-E224 PolarHBondContact O-N 3.07Å; A222-E224 VanDerWaalsContact C-N 3.25Å; A222-E224 HydrophobicContact CB-CG 3.75Å; A222-E224 PolarHBondContact O-N 3.35Å; E224-I226 PolarHBondContact O-N 3.03Å; E224-L299 WeakPolarHBondContact O-CD1 3.35Å; E224-L299 VanDerWaalsContact O-CD2 3.23Å; E224-L299 WeakPolarHBondContact O-CD2 3.32Å; E224-L299 WeakPolarHBondContact O-CG 3.22Å
225A89.1Confident95.4Very high36 Ų3619.9 Ų19.930%0.29810%0.098SC..SBendtrans-70.1-3.2-174.700000115.2T227 L298A225-T227 PolarHBondContact O-N 2.89Å; A225-L298 HydrophobicContact CB-CB 3.76Å; A225-L298 HydrophobicContact CB-CD1 3.77Å; A225-L298 HydrophobicContact CB-CG 4.42Å
226I93.9Very high95.1Very high24 Ų2421.8 Ų21.812%0.12311%0.109CC..  trans-78.4111.2-179.8-59.8-175.1000109.2L92 V97 L219 E224 D230 F234L92-I226 HydrophobicContact CD2-CD1 3.94Å; V97-I226 HydrophobicContact CG2-CD1 3.36Å; V97-I226 HydrophobicContact CG2-CG1 4.31Å; L219-I226 HydrophobicContact CD1-CB 4.16Å; L219-I226 HydrophobicContact CD1-CG2 3.95Å; L219-I226 HydrophobicContact CD2-CB 4.45Å; E224-I226 PolarHBondContact O-N 3.03Å; I226-D230 HydrophobicContact CG2-CB 3.79Å; I226-F234 HydrophobicContact CD1-CE2 4.46Å; I226-F234 HydrophobicContact CG2-CE2 4.27Å
227T95.1Very high94.7Very high5 Ų524.9 Ų24.93%0.03112%0.123CC..  trans-77.9172.8179.568.20000112A225 A229 D230 L231 L299 L304 D350A225-T227 PolarHBondContact O-N 2.89Å; T227-A229 VanDerWaalsContact C-N 3.33Å; T227-D230 WeakPolarHBondContact CB-OD2 3.28Å; T227-D230 PolarHBondContact N-OD2 2.99Å; T227-D230 PolarHBondContact O-N 2.8Å; T227-D230 PolarHBondContact OG1-N 2.93Å; T227-D230 PolarHBondContact OG1-OD2 3.42Å; T227-L231 PolarHBondContact O-N 3.04Å; T227-L299 HydrophobicContact CG2-CD2 4.23Å; T227-L304 HydrophobicContact CG2-CD1 4.25Å; T227-L304 HydrophobicContact CG2-CD2 3.87Å; T227-D350 HydrophobicContact CG2-CB 4.23Å
228L96.2Very high94.3Very high3 Ų327.4 Ų27.42%0.01615%0.149CC..Hα-helixtrans-65.2-38.3173.7-178.857.8000111.7H216 D230 L231 L232 Y271 L274 H275H216-L228 HydrophobicContact CB-CD1 4.29Å; L228-D230 VanDerWaalsContact C-N 3.33Å; L228-L231 HydrophobicContact CD1-CD2 4.48Å; L228-L231 PolarHBondContact O-N 3.32Å; L228-L232 PolarHBondContact O-N 2.99Å; L228-L232 VanDerWaalsContact O-N 3.15Å; L228-Y271 HydrophobicContact CB-CD2 4.23Å; L228-Y271 HydrophobicContact CB-CE2 3.66Å; L228-Y271 HydrophobicContact CD2-CD1 4.36Å; L228-Y271 HydrophobicContact CD2-CD2 3.87Å; L228-Y271 HydrophobicContact CD2-CE1 4.16Å; L228-Y271 HydrophobicContact CD2-CE2 3.67Å; L228-Y271 HydrophobicContact CD2-CG 4.2Å; L228-Y271 HydrophobicContact CG-CD2 3.77Å; L228-Y271 HydrophobicContact CG-CE2 3.66Å; L228-Y271 HydrophobicContact CG-CG 4.5Å; L228-L274 HydrophobicContact CD1-CB 4.42Å; L228-L274 HydrophobicContact CD1-CD2 3.57Å; L228-L274 HydrophobicContact CD1-CG 3.98Å; L228-H275 HydrophobicContact CD2-CB 3.82Å
229A95.9Very high94Very high6 Ų629.5 Ų29.55%0.0516%0.159CC..Hα-helixtrans-58.5-45.117300000111.4T227 L232 R233 Y271 D350 L548T227-A229 VanDerWaalsContact C-N 3.33Å; A229-L232 PolarHBondContact O-N 3.36Å; A229-R233 WeakPolarHBondContact O-CB 3.45Å; A229-R233 PolarHBondContact O-N 2.98Å; A229-Y271 HydrophobicContact CB-CE2 4.48Å; A229-D350 WeakPolarHBondContact CB-OD2 3.47Å; A229-D350 PolarHBondContact N-OD2 2.85Å; A229-L548 HydrophobicContact CB-CB 4.34Å; A229-L548 HydrophobicContact CB-CD2 4.15Å; A229-L548 VanDerWaalsContact CB-O 3.3Å; A229-L548 WeakPolarHBondContact CB-O 3.46Å
230D95.7Very high94Very high7 Ų729.7 Ų29.74%0.03716%0.16CC..Hα-helixtrans-62.5-47.2177.4-66.4-48.9000112.7I226 T227 L228 L232 R233 F234 R307I226-D230 HydrophobicContact CG2-CB 3.79Å; T227-D230 WeakPolarHBondContact CB-OD2 3.28Å; T227-D230 PolarHBondContact N-OD2 2.99Å; T227-D230 PolarHBondContact O-N 2.8Å; T227-D230 PolarHBondContact OG1-N 2.93Å; T227-D230 PolarHBondContact OG1-OD2 3.42Å; L228-D230 VanDerWaalsContact C-N 3.33Å; D230-L232 VanDerWaalsContact C-N 3.26Å; D230-L232 PolarHBondContact O-N 3.3Å; D230-R233 PolarHBondContact O-N 3.32Å; D230-R233 VanDerWaalsContact O-N 3.12Å; D230-R233 IonicContact OD1-NH2 2.81Å; D230-R233 PolarHBondContact OD1-NH2 2.93Å; D230-F234 HydrophobicContact CB-CD2 4.34Å; D230-F234 HydrophobicContact CB-CE2 3.95Å; D230-F234 WeakPolarHBondContact O-CB 3.41Å; D230-F234 WeakPolarHBondContact O-CD2 3.45Å; D230-F234 VanDerWaalsContact O-CG 3.29Å; D230-F234 WeakPolarHBondContact O-CG 3.49Å; D230-F234 PolarHBondContact O-N 2.98Å; D230-R307 VanDerWaalsContact CG-NH2 3.27Å; D230-R307 IonicContact OD1-CZ 2.8Å; D230-R307 IonicContact OD1-NH1 2.69Å; D230-R307 IonicContact OD1-NH2 2.75Å; D230-R307 PolarHBondContact OD1-NH2 3.49Å; D230-R307 IonicContact OD2-CZ 3.6Å; D230-R307 IonicContact OD2-NH1 3.44Å; D230-R307 PolarHBondContact OD2-NH1 2.88Å; D230-R307 IonicContact OD2-NH2 3.11Å; D230-R307 PolarHBondContact OD2-NH2 3.29Å
231L96.8Very high93.9Very high1 Ų131 Ų311%0.00517%0.169CC..Hα-helixtrans-55.4-45.1178.7-18066.9000111.2L92 H216 L219 T227 L228 V235 I240 L274L92-L231 HydrophobicContact CD2-CD1 4.32Å; H216-L231 HydrophobicContact CB-CD2 3.8Å; L219-L231 HydrophobicContact CD1-CD1 4.44Å; T227-L231 PolarHBondContact O-N 3.04Å; L228-L231 HydrophobicContact CD1-CD2 4.48Å; L228-L231 PolarHBondContact O-N 3.32Å; L231-V235 VanDerWaalsContact O-CG2 3.28Å; L231-V235 WeakPolarHBondContact O-CG2 3Å; L231-V235 PolarHBondContact O-N 3.37Å; L231-V235 VanDerWaalsContact O-N 3.12Å; L231-I240 HydrophobicContact CD1-CD1 3.54Å; L231-L274 HydrophobicContact CD2-CD2 4.47Å
232L96.1Very high93.9Very high18 Ų1828 Ų289%0.09416%0.157CC..Hα-helixtrans-69.7-38177.9-74.3174000112.7L228 A229 D230 V235 N236 I268 P269 Y271 L274L228-L232 PolarHBondContact O-N 2.99Å; L228-L232 VanDerWaalsContact O-N 3.15Å; A229-L232 PolarHBondContact O-N 3.36Å; D230-L232 VanDerWaalsContact C-N 3.26Å; D230-L232 PolarHBondContact O-N 3.3Å; L232-V235 PolarHBondContact O-N 3.17Å; L232-N236 WeakPolarHBondContact O-CB 3.17Å; L232-N236 PolarHBondContact O-N 2.9Å; L232-I268 HydrophobicContact CD2-CG2 4.13Å; L232-P269 HydrophobicContact CD2-CG 4.15Å; L232-P269 WeakPolarHBondContact CD2-O 2.87Å; L232-Y271 VanDerWaalsContact CD1-CA 3.46Å; L232-Y271 HydrophobicContact CD1-CD2 4.34Å; L232-L274 HydrophobicContact CD1-CD2 4.36Å; L232-L274 HydrophobicContact CD2-CD2 3.6Å; L232-L274 HydrophobicContact CG-CD2 3.98Å
233R94.5Very high93.7Very high30 Ų3027.8 Ų27.811%0.11315%0.153CC..Hα-helixtrans-63.2-46.6175.8-177.8173.361.784.5-1.7111.2A229 D230 V235 N236 E237 S467 S468 C470A229-R233 WeakPolarHBondContact O-CB 3.45Å; A229-R233 PolarHBondContact O-N 2.98Å; D230-R233 PolarHBondContact O-N 3.32Å; D230-R233 VanDerWaalsContact O-N 3.12Å; D230-R233 IonicContact OD1-NH2 2.81Å; D230-R233 PolarHBondContact OD1-NH2 2.93Å; R233-V235 VanDerWaalsContact C-N 3.31Å; R233-V235 PolarHBondContact O-N 2.92Å; R233-N236 CarbonylContact O-C 3.56Å; R233-N236 WeakPolarHBondContact O-CA 3.02Å; R233-N236 WeakPolarHBondContact O-CB 3.21Å; R233-N236 PolarHBondContact O-N 2.88Å; R233-E237 WeakPolarHBondContact CD-OE1 3.45Å; R233-E237 HydrophobicContact CG-CG 4.31Å; R233-E237 WeakPolarHBondContact CG-OE1 3.29Å; R233-E237 IonicContact CZ-OE1 3.39Å; R233-E237 IonicContact NH1-OE1 2.71Å; R233-E237 PolarHBondContact NH1-OE1 3.36Å; R233-E237 IonicContact NH1-OE2 3.21Å; R233-E237 PolarHBondContact NH1-OE2 3.28Å; R233-E237 WeakPolarHBondContact O-CB 3.37Å; R233-E237 WeakPolarHBondContact O-CG 3.39Å; R233-E237 PolarHBondContact O-N 3.27Å; R233-S467 VanDerWaalsContact CZ-O 3.26Å; R233-S467 PolarHBondContact NH1-O 2.93Å; R233-S467 PolarHBondContact NH2-O 3.5Å; R233-S468 PolarHBondContact NH2-O 3.2Å; R233-C470 WeakPolarHBondContact CD-SG 3.48Å
234F94.8Very high93.4Very high8 Ų823 Ų234%0.03514%0.135CC..Hα-helixtrans-63.5-34.2176.4-65-37.4000113.1M95 I226 D230 G238 H239 I240 P466 S467M95-F234 HydrophobicContact CE-CD2 3.98Å; M95-F234 HydrophobicContact CE-CE2 4.4Å; M95-F234 HydrophobicContact CE-CG 4.38Å; M95-F234 HydrophobicContact SD-CD1 4.3Å; M95-F234 HydrophobicContact SD-CD2 3.97Å; M95-F234 HydrophobicContact SD-CE1 4.4Å; M95-F234 HydrophobicContact SD-CE2 4.08Å; M95-F234 HydrophobicContact SD-CG 4.08Å; M95-F234 HydrophobicContact SD-CZ 4.3Å; I226-F234 HydrophobicContact CD1-CE2 4.46Å; I226-F234 HydrophobicContact CG2-CE2 4.27Å; D230-F234 HydrophobicContact CB-CD2 4.34Å; D230-F234 HydrophobicContact CB-CE2 3.95Å; D230-F234 WeakPolarHBondContact O-CB 3.41Å; D230-F234 WeakPolarHBondContact O-CD2 3.45Å; D230-F234 VanDerWaalsContact O-CG 3.29Å; D230-F234 WeakPolarHBondContact O-CG 3.49Å; D230-F234 PolarHBondContact O-N 2.98Å; F234-G238 PolarHBondContact O-N 3.27Å; F234-H239 HydrophobicContact CB-CB 4.23Å; F234-H239 PolarHBondContact O-N 3.14Å; F234-I240 HydrophobicContact CB-CD1 3.66Å; F234-I240 HydrophobicContact CB-CG1 3.89Å; F234-I240 HydrophobicContact CD2-CD1 4.35Å; F234-I240 HydrophobicContact CG-CD1 4.49Å; F234-I240 PolarHBondContact O-N 2.97Å; F234-P466 HydrophobicContact CD1-CB 4.41Å; F234-P466 HydrophobicContact CE1-CB 4.16Å; F234-S467 WeakPolarHBondContact CE1-O 3.42Å
235V94.5Very high93.3Very high2 Ų221.5 Ų21.51%0.01213%0.13CC..Hα-helixtrans-67.4-37.6169.8167.80000111.5L212 L231 L232 R233 G238 I240 Y242 I268 K419L212-V235 HydrophobicContact CD1-CG1 4.42Å; L212-V235 HydrophobicContact CD1-CG2 4.02Å; L212-V235 HydrophobicContact CD2-CG2 3.76Å; L231-V235 VanDerWaalsContact O-CG2 3.28Å; L231-V235 WeakPolarHBondContact O-CG2 3Å; L231-V235 PolarHBondContact O-N 3.37Å; L231-V235 VanDerWaalsContact O-N 3.12Å; L232-V235 PolarHBondContact O-N 3.17Å; R233-V235 VanDerWaalsContact C-N 3.31Å; R233-V235 PolarHBondContact O-N 2.92Å; V235-G238 PolarHBondContact O-N 2.84Å; V235-I240 HydrophobicContact CG2-CB 3.78Å; V235-I240 HydrophobicContact CG2-CD1 4.46Å; V235-I240 HydrophobicContact CG2-CG2 3.85Å; V235-Y242 HydrophobicContact CG1-CD1 3.82Å; V235-Y242 HydrophobicContact CG1-CG 3.79Å; V235-I268 HydrophobicContact CG1-CD1 4.11Å; V235-I268 HydrophobicContact CG1-CG1 4.12Å; V235-I268 HydrophobicContact CG1-CG2 4Å; V235-K419 PolarHBondContact O-NZ 3.31Å
236N91.5Very high93.3Very high42 Ų4220.3 Ų20.323%0.22512%0.118CC..Hα-helixtrans-67.4-44.2177.7-168.857.7000112L232 R233 G238 I268 K419L232-N236 WeakPolarHBondContact O-CB 3.17Å; L232-N236 PolarHBondContact O-N 2.9Å; R233-N236 CarbonylContact O-C 3.56Å; R233-N236 WeakPolarHBondContact O-CA 3.02Å; R233-N236 WeakPolarHBondContact O-CB 3.21Å; R233-N236 PolarHBondContact O-N 2.88Å; N236-G238 VanDerWaalsContact C-N 3.26Å; N236-G238 PolarHBondContact O-N 3.13Å; N236-I268 HydrophobicContact CB-CD1 4.13Å; N236-I268 WeakPolarHBondContact OD1-CD1 3.4Å; N236-K419 PolarHBondContact O-NZ 3.01Å
237E89Confident93Very high79 Ų7921 Ų2137%0.36912%0.12SC..Hα-helixtrans-71.6-16.8176.9-68.2166.9179.800113.1R233 H239R233-E237 WeakPolarHBondContact CD-OE1 3.45Å; R233-E237 HydrophobicContact CG-CG 4.31Å; R233-E237 WeakPolarHBondContact CG-OE1 3.29Å; R233-E237 IonicContact CZ-OE1 3.39Å; R233-E237 IonicContact NH1-OE1 2.71Å; R233-E237 PolarHBondContact NH1-OE1 3.36Å; R233-E237 IonicContact NH1-OE2 3.21Å; R233-E237 PolarHBondContact NH1-OE2 3.28Å; R233-E237 WeakPolarHBondContact O-CB 3.37Å; R233-E237 WeakPolarHBondContact O-CG 3.39Å; R233-E237 PolarHBondContact O-N 3.27Å; E237-H239 IonicContact OE2-CD2 2.67Å; E237-H239 PolarHBondContact OE2-CD2 3.32Å; E237-H239 IonicContact OE2-NE2 3.74Å
238G89.8Confident92.6Very high53 Ų5325 Ų2555%0.54614%0.142SC..THydrogen-bonded Turntrans89.610.5176.200000114.6F234 V235 N236F234-G238 PolarHBondContact O-N 3.27Å; V235-G238 PolarHBondContact O-N 2.84Å; N236-G238 VanDerWaalsContact C-N 3.26Å; N236-G238 PolarHBondContact O-N 3.13Å
239H92.4Very high92.3Very high45 Ų4525.5 Ų25.521%0.20814%0.144CC..SBendtrans-72-29.8174.3-61.5-49.6000112.7A91 M95 F234 E237 T464 P466A91-H239 WeakPolarHBondContact CB-O 3.2Å; M95-H239 HydrophobicContact SD-CB 4.39Å; F234-H239 HydrophobicContact CB-CB 4.23Å; F234-H239 PolarHBondContact O-N 3.14Å; E237-H239 IonicContact OE2-CD2 2.67Å; E237-H239 PolarHBondContact OE2-CD2 3.32Å; E237-H239 IonicContact OE2-NE2 3.74Å; H239-T464 PolarHBondContact CE1-O 2.91Å; H239-P466 HydrophobicContact CB-CB 4.37Å
240I95.3Very high91.9Very high3 Ų327.4 Ų27.42%0.01516%0.155CC..SBendtrans-109.1121175.9-62.3174.8000109.4Q88 A91 L92 M95 L212 L231 F234 V235 Y242Q88-I240 HydrophobicContact CB-CG2 4.17Å; Q88-I240 HydrophobicContact CG-CG2 3.86Å; A91-I240 HydrophobicContact CB-CG1 4.35Å; L92-I240 HydrophobicContact CD2-CD1 3.79Å; L92-I240 HydrophobicContact CG-CD1 4.24Å; M95-I240 HydrophobicContact CE-CD1 3.92Å; M95-I240 HydrophobicContact CE-CG1 3.81Å; L212-I240 HydrophobicContact CD2-CG2 4.45Å; L231-I240 HydrophobicContact CD1-CD1 3.54Å; F234-I240 HydrophobicContact CB-CD1 3.66Å; F234-I240 HydrophobicContact CB-CG1 3.89Å; F234-I240 HydrophobicContact CD2-CD1 4.35Å; F234-I240 HydrophobicContact CG-CD1 4.49Å; F234-I240 PolarHBondContact O-N 2.97Å; V235-I240 HydrophobicContact CG2-CB 3.78Å; V235-I240 HydrophobicContact CG2-CD1 4.46Å; V235-I240 HydrophobicContact CG2-CG2 3.85Å; I240-Y242 PolarHBondContact O-N 2.83Å
241P94.4Very high91.3Very high35 Ų3534.9 Ų34.923%0.22719%0.19CC..  trans-58.4123.4178.2-26.435.1000112.3H87 Q88 A245H87-P241 HydrophobicContact CB-CG 4.33Å; Q88-P241 WeakPolarHBondContact CG-O 3.23Å; Q88-P241 PolarHBondContact NE2-O 2.8Å; P241-A245 HydrophobicContact CB-CB 4.26Å
242Y94.9Very high90.7Very high7 Ų739.7 Ų39.73%0.02721%0.212CC..  trans-151.7-59.1178.7-175.5-102.7000111.6M208 L212 V235 I240 N244 V265 I268 P269M208-Y242 HydrophobicContact CB-CE2 3.8Å; M208-Y242 HydrophobicContact CE-CD2 4.11Å; M208-Y242 HydrophobicContact CE-CE2 4.23Å; M208-Y242 VanDerWaalsContact CE-O 3.27Å; M208-Y242 WeakPolarHBondContact CE-O 3.12Å; M208-Y242 WeakPolarHBondContact O-CE2 3.16Å; L212-Y242 HydrophobicContact CD1-CD2 3.51Å; L212-Y242 HydrophobicContact CD1-CE2 3.44Å; L212-Y242 VanDerWaalsContact CD1-CE2 3.44Å; L212-Y242 HydrophobicContact CD1-CG 4.14Å; L212-Y242 HydrophobicContact CD2-CD2 4.04Å; L212-Y242 HydrophobicContact CG-CD2 3.67Å; L212-Y242 HydrophobicContact CG-CE2 3.7Å; V235-Y242 HydrophobicContact CG1-CD1 3.82Å; V235-Y242 HydrophobicContact CG1-CG 3.79Å; I240-Y242 PolarHBondContact O-N 2.83Å; Y242-N244 PolarHBondContact O-N 3.46Å; Y242-V265 HydrophobicContact CD1-CG1 3.83Å; Y242-V265 HydrophobicContact CD1-CG2 4.28Å; Y242-V265 HydrophobicContact CE1-CB 4.33Å; Y242-V265 HydrophobicContact CE1-CG1 3.37Å; Y242-V265 HydrophobicContact CE1-CG2 3.97Å; Y242-V265 WeakPolarHBondContact O-CG2 3.44Å; Y242-I268 HydrophobicContact CD1-CG1 4.32Å; Y242-I268 HydrophobicContact CE1-CG1 4.5Å; Y242-P269 WeakPolarHBondContact OH-CD 3.44Å
243V91.1Very high90.2Very high28 Ų2839.3 Ų39.317%0.1721%0.21CC..THydrogen-bonded Turntrans-72.5127.1173.4-178.70000108.2A245 V265 I268 W421V243-A245 PolarHBondContact O-N 3.15Å; V243-A245 VanDerWaalsContact O-N 3.12Å; V243-V265 HydrophobicContact CG2-CG1 4.09Å; V243-I268 HydrophobicContact CG2-CG1 4.31Å; V243-W421 HydrophobicContact CG1-CE3 4.02Å; V243-W421 HydrophobicContact CG1-CZ3 4.36Å; V243-W421 HydrophobicContact CG2-CE3 4.43Å; V243-W421 HydrophobicContact CG2-CZ3 3.95Å
244N88.2Confident89.5Confident14 Ų1441.6 Ų41.68%0.07522%0.221CC..THydrogen-bonded Turntrans55.424.4-177.1-60.6-41.5000114.6Y242 Y246 E247 H420 W421Y242-N244 PolarHBondContact O-N 3.46Å; N244-Y246 HydrophobicContact CB-CE1 4.29Å; N244-Y246 PolarHBondContact O-N 3.15Å; N244-Y246 PolarHBondContact OD1-OH 2.85Å; N244-Y246 VanDerWaalsContact OD1-OH 3.06Å; N244-E247 HydrophobicContact CB-CG 4.12Å; N244-E247 WeakPolarHBondContact O-CB 3.45Å; N244-E247 WeakPolarHBondContact O-CG 3.17Å; N244-E247 PolarHBondContact O-N 2.73Å; N244-H420 PolarHBondContact ND2-O 3.05Å; N244-H420 VanDerWaalsContact ND2-O 3.09Å; N244-W421 PolarHBondContact ND2-O 3.28Å; N244-W421 VanDerWaalsContact ND2-O 3.16Å
245A90.2Very high88.8Confident6 Ų642.5 Ų42.55%0.0523%0.226CC..G310 helixtrans-59.3-14.7179.600000114.4I84 M208 P241 V243 E247I84-A245 HydrophobicContact CD1-CB 4.39Å; I84-A245 HydrophobicContact CG1-CB 4.2Å; I84-A245 HydrophobicContact CG2-CB 4.27Å; M208-A245 HydrophobicContact CE-CB 4.41Å; P241-A245 HydrophobicContact CB-CB 4.26Å; V243-A245 PolarHBondContact O-N 3.15Å; V243-A245 VanDerWaalsContact O-N 3.12Å; A245-E247 VanDerWaalsContact C-N 3.28Å
246Y87.9Confident87.8Confident11 Ų1144.3 Ų44.34%0.04323%0.233CC..G310 helixtrans-76.7-11.8174.963.5-95.6000114.2N244 D248 F249 L255 F263 P423 L427N244-Y246 HydrophobicContact CB-CE1 4.29Å; N244-Y246 PolarHBondContact O-N 3.15Å; N244-Y246 PolarHBondContact OD1-OH 2.85Å; N244-Y246 VanDerWaalsContact OD1-OH 3.06Å; Y246-D248 PolarHBondContact O-N 2.92Å; Y246-F249 VanDerWaalsContact O-CB 3.25Å; Y246-F249 WeakPolarHBondContact O-CB 3.35Å; Y246-F249 VanDerWaalsContact O-CG 3.27Å; Y246-F249 WeakPolarHBondContact O-CG 3.49Å; Y246-F249 PolarHBondContact O-N 3.46Å; Y246-F249 VanDerWaalsContact O-N 3.14Å; Y246-L255 HydrophobicContact CD2-CD1 3.63Å; Y246-L255 HydrophobicContact CG-CD1 3.65Å; Y246-F263 HydrophobicContact CD1-CB 4.14Å; Y246-F263 HydrophobicContact CG-CB 4.45Å; Y246-P423 HydrophobicContact CE2-CB 4.34Å; Y246-P423 WeakPolarHBondContact OH-CB 3.49Å; Y246-P423 WeakPolarHBondContact OH-CG 3.41Å; Y246-L427 HydrophobicContact CD2-CD1 4.36Å; Y246-L427 HydrophobicContact CD2-CD2 4.21Å; Y246-L427 HydrophobicContact CE1-CD1 3.81Å; Y246-L427 HydrophobicContact CE2-CD1 3.63Å; Y246-L427 HydrophobicContact CE2-CD2 3.74Å; Y246-L427 HydrophobicContact CE2-CG 3.68Å; Y246-L427 VanDerWaalsContact OH-CD1 3.3Å; Y246-L427 WeakPolarHBondContact OH-CD1 3.05Å
247E87.9Confident87.1Confident37 Ų3742.4 Ų42.417%0.17322%0.224CC..G310 helixtrans-67.5-26.1179.3-67.4-164.2131.600112.7N244 A245 F249 P423 Q424 K425N244-E247 HydrophobicContact CB-CG 4.12Å; N244-E247 WeakPolarHBondContact O-CB 3.45Å; N244-E247 WeakPolarHBondContact O-CG 3.17Å; N244-E247 PolarHBondContact O-N 2.73Å; A245-E247 VanDerWaalsContact C-N 3.28Å; E247-F249 PolarHBondContact O-N 3.03Å; E247-P423 HydrophobicContact CG-CB 4.42Å; E247-P423 VanDerWaalsContact OE1-C 3.23Å; E247-P423 WeakPolarHBondContact OE1-CA 3.35Å; E247-P423 WeakPolarHBondContact OE1-CB 3.47Å; E247-Q424 WeakPolarHBondContact OE1-CA 3.37Å; E247-Q424 PolarHBondContact OE1-N 2.75Å; E247-K425 PolarHBondContact O-NZ 3.02Å; E247-K425 PolarHBondContact OE1-N 2.69Å
248D87.3Confident86.5Confident90 Ų9043.5 Ų43.548%0.48123%0.225SC..G310 helixtrans-79.7-4175.9-58.2-35.5000112.5F83 Y246F83-D248 HydrophobicContact CE1-CB 3.99Å; F83-D248 WeakPolarHBondContact CE1-O 3.35Å; F83-D248 WeakPolarHBondContact CZ-O 3.42Å; Y246-D248 PolarHBondContact O-N 2.92Å
249F90.1Very high86Confident14 Ų1441 Ų416%0.06120%0.199CC..SBendtrans-58.4142.3176.3-74.84.5000110.8F83 I84 Y246 E247 M253 L255 F263F83-F249 HydrophobicContact CB-CD1 4.43Å; F83-F249 HydrophobicContact CB-CE1 4.13Å; F83-F249 AromaticContact CD1-CD1 3.4Å; F83-F249 HydrophobicContact CD1-CD1 3.4Å; F83-F249 AromaticContact CD1-CE1 3.63Å; F83-F249 HydrophobicContact CD1-CE1 3.63Å; F83-F249 AromaticContact CE1-CD1 3.8Å; F83-F249 HydrophobicContact CE1-CD1 3.8Å; F83-F249 HydrophobicContact CE1-CE1 4.41Å; F83-F249 HydrophobicContact CG-CD1 4.04Å; F83-F249 HydrophobicContact CG-CE1 4.18Å; I84-F249 HydrophobicContact CD1-CE1 4.15Å; I84-F249 HydrophobicContact CD1-CZ 3.99Å; I84-F249 HydrophobicContact CG1-CE1 3.73Å; I84-F249 HydrophobicContact CG1-CZ 4.06Å; Y246-F249 VanDerWaalsContact O-CB 3.25Å; Y246-F249 WeakPolarHBondContact O-CB 3.35Å; Y246-F249 VanDerWaalsContact O-CG 3.27Å; Y246-F249 WeakPolarHBondContact O-CG 3.49Å; Y246-F249 PolarHBondContact O-N 3.46Å; Y246-F249 VanDerWaalsContact O-N 3.14Å; E247-F249 PolarHBondContact O-N 3.03Å; F249-M253 HydrophobicContact CB-CB 4.38Å; F249-M253 HydrophobicContact CD2-CE 3.44Å; F249-M253 VanDerWaalsContact CD2-CE 3.44Å; F249-M253 HydrophobicContact CD2-CG 4.07Å; F249-M253 HydrophobicContact CD2-SD 3.96Å; F249-M253 HydrophobicContact CE1-CE 4.43Å; F249-M253 HydrophobicContact CE2-CE 3.26Å; F249-M253 HydrophobicContact CE2-SD 4.34Å; F249-M253 HydrophobicContact CG-CE 4.14Å; F249-M253 HydrophobicContact CG-SD 4.19Å; F249-M253 HydrophobicContact CZ-CE 3.8Å; F249-L255 HydrophobicContact CD2-CD1 3.73Å; F249-L255 HydrophobicContact CD2-CG 4.03Å; F249-L255 HydrophobicContact CE2-CD1 3.74Å; F249-L255 HydrophobicContact CE2-CD2 4.32Å; F249-L255 HydrophobicContact CE2-CG 4.18Å; F249-F263 HydrophobicContact CE2-CD2 4.43Å; F249-F263 HydrophobicContact CE2-CG 4.45Å; F249-F263 HydrophobicContact CZ-CD1 4.14Å; F249-F263 HydrophobicContact CZ-CE1 4.2Å; F249-F263 HydrophobicContact CZ-CG 4.44Å
250P88.1Confident85.4Confident45 Ų4538.9 Ų38.929%0.29219%0.189SC..  trans-65.1154.4-178.932.9-38.4000110F83 E252 M253F83-P250 HydrophobicContact CE2-CG 4.47Å; P250-E252 WeakPolarHBondContact CB-OE2 3.41Å; P250-E252 PolarHBondContact O-N 3.18Å; P250-M253 HydrophobicContact CG-CB 3.88Å; P250-M253 WeakPolarHBondContact O-CA 3.19Å; P250-M253 WeakPolarHBondContact O-CB 3.25Å; P250-M253 PolarHBondContact O-N 3.4Å
251E82.4Confident84.8Confident165 Ų16542.8 Ų42.877%0.77121%0.209SC*.THydrogen-bonded Turntrans-59.7-26.1-171.6-64.8-168.9168.500113.3M253 K254E251-M253 PolarHBondContact O-N 2.87Å; E251-K254 WeakPolarHBondContact O-CE 3.43Å; E251-K254 VanDerWaalsContact O-CG 3.31Å; E251-K254 WeakPolarHBondContact O-CG 3.33Å
252E83.6Confident84.5Confident101 Ų10142 Ų4247%0.47220%0.203SC..THydrogen-bonded Turntrans-71.2-19.1176.3-5378-167.800112.3G72 R73 P250 K254G72-E252 CarbonylContact C-O 3.57Å; G72-E252 WeakPolarHBondContact CA-O 3.42Å; R73-E252 HydrophobicContact CB-CB 4.2Å; R73-E252 HydrophobicContact CG-CB 4.14Å; R73-E252 PolarHBondContact N-O 2.9Å; P250-E252 WeakPolarHBondContact CB-OE2 3.41Å; P250-E252 PolarHBondContact O-N 3.18Å; E252-K254 PolarHBondContact O-N 3.4Å
253M85.6Confident84.2Confident10 Ų1041.6 Ų41.65%0.04920%0.201CC..SBendtrans-102.965.8-175.6-168.4172.8159.900111.1W75 F249 P250 E251 L255W75-M253 HydrophobicContact CD2-CE 3.71Å; W75-M253 HydrophobicContact CD2-CG 3.49Å; W75-M253 VanDerWaalsContact CD2-CG 3.49Å; W75-M253 HydrophobicContact CD2-SD 4.14Å; W75-M253 VanDerWaalsContact CE2-CG 3.49Å; W75-M253 HydrophobicContact CE3-CE 3.12Å; W75-M253 HydrophobicContact CE3-CG 3.95Å; W75-M253 HydrophobicContact CE3-SD 4.03Å; W75-M253 HydrophobicContact CG-CG 3.77Å; W75-M253 HydrophobicContact CH2-CE 3.48Å; W75-M253 VanDerWaalsContact CH2-CE 3.48Å; W75-M253 HydrophobicContact CH2-CG 4.41Å; W75-M253 HydrophobicContact CZ2-CE 3.98Å; W75-M253 HydrophobicContact CZ2-CG 3.97Å; W75-M253 HydrophobicContact CZ3-CE 3.02Å; W75-M253 HydrophobicContact CZ3-CG 4.41Å; W75-M253 HydrophobicContact CZ3-SD 4.42Å; F249-M253 HydrophobicContact CB-CB 4.38Å; F249-M253 HydrophobicContact CD2-CE 3.44Å; F249-M253 VanDerWaalsContact CD2-CE 3.44Å; F249-M253 HydrophobicContact CD2-CG 4.07Å; F249-M253 HydrophobicContact CD2-SD 3.96Å; F249-M253 HydrophobicContact CE1-CE 4.43Å; F249-M253 HydrophobicContact CE2-CE 3.26Å; F249-M253 HydrophobicContact CE2-SD 4.34Å; F249-M253 HydrophobicContact CG-CE 4.14Å; F249-M253 HydrophobicContact CG-SD 4.19Å; F249-M253 HydrophobicContact CZ-CE 3.8Å; P250-M253 HydrophobicContact CG-CB 3.88Å; P250-M253 WeakPolarHBondContact O-CA 3.19Å; P250-M253 WeakPolarHBondContact O-CB 3.25Å; P250-M253 PolarHBondContact O-N 3.4Å; E251-M253 PolarHBondContact O-N 2.87Å; M253-L255 PolarHBondContact O-N 3.02Å
254K81.1Confident84Confident78 Ų7844.9 Ų44.934%0.33921%0.211SC..  trans-73.4124.4-176-61.5-174.6-179.2174.50111.4E70 G187 E251 E252 Y256E70-K254 PolarHBondContact O-NZ 3.3Å; E70-K254 IonicContact OE2-NZ 2.72Å; E70-K254 PolarHBondContact OE2-NZ 3.48Å; G187-K254 WeakPolarHBondContact CA-O 3.38Å; E251-K254 WeakPolarHBondContact O-CE 3.43Å; E251-K254 VanDerWaalsContact O-CG 3.31Å; E251-K254 WeakPolarHBondContact O-CG 3.33Å; E252-K254 PolarHBondContact O-N 3.4Å; K254-Y256 HydrophobicContact CB-CD1 4.41Å; K254-Y256 HydrophobicContact CB-CE1 4.49Å
255L78.8Confident84Confident27 Ų2744.8 Ų44.814%0.14121%0.21CC..  trans-90.4128.8172-74.9169.6000111.6W75 Y246 F249 M253 D259 F263 L427W75-L255 HydrophobicContact CH2-CD2 3.54Å; W75-L255 HydrophobicContact CH2-CG 4.48Å; W75-L255 HydrophobicContact CZ2-CD2 3.59Å; W75-L255 HydrophobicContact CZ2-CG 4.24Å; Y246-L255 HydrophobicContact CD2-CD1 3.63Å; Y246-L255 HydrophobicContact CG-CD1 3.65Å; F249-L255 HydrophobicContact CD2-CD1 3.73Å; F249-L255 HydrophobicContact CD2-CG 4.03Å; F249-L255 HydrophobicContact CE2-CD1 3.74Å; F249-L255 HydrophobicContact CE2-CD2 4.32Å; F249-L255 HydrophobicContact CE2-CG 4.18Å; M253-L255 PolarHBondContact O-N 3.02Å; L255-D259 HydrophobicContact CD2-CB 3.79Å; L255-F263 HydrophobicContact CD1-CD2 4.4Å; L255-F263 HydrophobicContact CD2-CD2 3.61Å; L255-F263 HydrophobicContact CD2-CE2 3.93Å; L255-L427 HydrophobicContact CB-CD2 3.89Å; L255-L427 HydrophobicContact CD1-CD2 4.44Å
256Y74.4Confident83.8Confident40 Ų4052.3 Ų52.316%0.15724%0.244CC..  trans-161.7146170.656.7-91.2000110.4C185 S186 G187 K254 R258 D259C185-Y256 VanDerWaalsContact C-CE2 3.46Å; C185-Y256 HydrophobicContact CB-CD2 3.81Å; C185-Y256 HydrophobicContact CB-CE2 3.72Å; C185-Y256 WeakPolarHBondContact O-CD2 3.28Å; S186-Y256 VanDerWaalsContact CA-O 3.3Å; S186-Y256 WeakPolarHBondContact CA-O 3.39Å; S186-Y256 WeakPolarHBondContact O-CE2 3.2Å; S186-Y256 PolarHBondContact O-OH 3.31Å; G187-Y256 VanDerWaalsContact CA-CE1 3.44Å; G187-Y256 PolarHBondContact N-O 3.24Å; K254-Y256 HydrophobicContact CB-CD1 4.41Å; K254-Y256 HydrophobicContact CB-CE1 4.49Å; Y256-R258 PolarHBondContact O-N 3.49Å; Y256-D259 PolarHBondContact N-OD1 3.28Å
257G76.4Confident83.9Confident3 Ų355.6 Ų55.63%0.03127%0.269CS..THydrogen-bonded Turntrans77.3-121.8176.600000114.2C185 S260 Y428 T429C185-G257 VanDerWaalsContact O-CA 3.31Å; C185-G257 WeakPolarHBondContact O-CA 3.37Å; G257-S260 WeakPolarHBondContact O-CB 3.33Å; G257-S260 PolarHBondContact O-OG 3.32Å; G257-Y428 PolarHBondContact N-O 2.6Å; G257-T429 VanDerWaalsContact CA-O 3.28Å; G257-T429 WeakPolarHBondContact CA-O 3.43Å
258R77.3Confident84.1Confident102 Ų10255.5 Ų55.539%0.38527%0.269SS..THydrogen-bonded Turntrans-75.3-39.1-169-80.8-170.2179-152.42.8113.4V184 A191 L195 Y256 S260 L261V184-R258 HydrophobicContact CG1-CG 4.32Å; A191-R258 HydrophobicContact CB-CB 4.28Å; L195-R258 HydrophobicContact CD1-CB 3.73Å; L195-R258 HydrophobicContact CD1-CG 4.02Å; Y256-R258 PolarHBondContact O-N 3.49Å; R258-S260 PolarHBondContact O-N 2.89Å; R258-L261 WeakPolarHBondContact O-CB 3.41Å; R258-L261 PolarHBondContact O-N 3.14Å; R258-L261 VanDerWaalsContact O-N 3.1Å
259D78.5Confident84.5Confident0 Ų051.8 Ų51.80%025%0.25CS..THydrogen-bonded Turntrans-58.3-32.1173.946.835.7000113.1W75 S186 G187 S188 A191 L255 Y256 L261 I262 F263W75-D259 HydrophobicContact CH2-CB 4.4Å; S186-D259 PolarHBondContact OG-N 3.23Å; S186-D259 VanDerWaalsContact OG-N 3.15Å; S186-D259 PolarHBondContact OG-OD2 3.03Å; G187-D259 WeakPolarHBondContact CA-OD2 3.36Å; G187-D259 PolarHBondContact N-OD2 3.26Å; S188-D259 PolarHBondContact N-OD2 3.08Å; A191-D259 HydrophobicContact CB-CB 3.98Å; L255-D259 HydrophobicContact CD2-CB 3.79Å; Y256-D259 PolarHBondContact N-OD1 3.28Å; D259-L261 PolarHBondContact O-N 3.46Å; D259-L261 VanDerWaalsContact O-N 3.1Å; D259-I262 VanDerWaalsContact O-CB 3.32Å; D259-I262 WeakPolarHBondContact O-CB 3.4Å; D259-I262 PolarHBondContact O-N 3.14Å; D259-F263 HydrophobicContact CB-CE2 4.47Å; D259-F263 VanDerWaalsContact O-CD2 3.32Å; D259-F263 WeakPolarHBondContact O-CD2 3.46Å; D259-F263 PolarHBondContact O-N 3.2Å
260S80.3Confident84.8Confident0 Ų054.5 Ų54.50%027%0.271CS..Hα-helixtrans-59.6-24.6177.385.40000113.2G257 R258 R264G257-S260 WeakPolarHBondContact O-CB 3.33Å; G257-S260 PolarHBondContact O-OG 3.32Å; R258-S260 PolarHBondContact O-N 2.89Å; S260-R264 VanDerWaalsContact O-CB 3.23Å; S260-R264 WeakPolarHBondContact O-CB 3.4Å; S260-R264 PolarHBondContact O-N 3.43Å
261L83.1Confident85.2Confident86 Ų8652.9 Ų52.945%0.4526%0.259SS..Hα-helixtrans-80.8-19.4175.2-58.4174.6000112.8L195 R258 D259 T429L195-L261 HydrophobicContact CD1-CD1 4.48Å; R258-L261 WeakPolarHBondContact O-CB 3.41Å; R258-L261 PolarHBondContact O-N 3.14Å; R258-L261 VanDerWaalsContact O-N 3.1Å; D259-L261 PolarHBondContact O-N 3.46Å; D259-L261 VanDerWaalsContact O-N 3.1Å; L261-T429 HydrophobicContact CD2-CG2 4.1Å
262I87.4Confident85.7Confident17 Ų1747.3 Ų47.39%0.08724%0.238CC..Hα-helixtrans-79.6-41.7-177.5-59.2172.9000110.4V77 F81 A191 Y194 L195 D259V77-I262 HydrophobicContact CG1-CD1 4.08Å; V77-I262 HydrophobicContact CG1-CG2 3.93Å; V77-I262 HydrophobicContact CG2-CD1 3.67Å; F81-I262 HydrophobicContact CE2-CG2 3.73Å; F81-I262 HydrophobicContact CZ-CG2 3.51Å; A191-I262 HydrophobicContact CB-CD1 4.12Å; Y194-I262 HydrophobicContact CD1-CD1 3.62Å; Y194-I262 HydrophobicContact CD1-CG1 4.11Å; Y194-I262 HydrophobicContact CD1-CG2 4.16Å; Y194-I262 HydrophobicContact CE1-CD1 4.37Å; Y194-I262 HydrophobicContact CE1-CG2 3.85Å; Y194-I262 HydrophobicContact CG-CD1 3.95Å; L195-I262 HydrophobicContact CD2-CD1 4.27Å; L195-I262 HydrophobicContact CD2-CG1 3.69Å; L195-I262 HydrophobicContact CG-CD1 4.35Å; L195-I262 HydrophobicContact CG-CG1 4.24Å; D259-I262 VanDerWaalsContact O-CB 3.32Å; D259-I262 WeakPolarHBondContact O-CB 3.4Å; D259-I262 PolarHBondContact O-N 3.14Å
263F89.1Confident86.2Confident0 Ų045.9 Ų45.90%023%0.232CC..Hα-helixtrans-96.4-6.5-176.3-57-75.2000113.7W75 V77 F81 I84 M208 Y246 F249 L255 D259 V265W75-F263 AromaticContact CH2-CE2 3.71Å; W75-F263 HydrophobicContact CH2-CE2 3.71Å; W75-F263 HydrophobicContact CH2-CZ 4.21Å; W75-F263 HydrophobicContact CZ3-CE2 4.06Å; W75-F263 HydrophobicContact CZ3-CZ 4.1Å; V77-F263 HydrophobicContact CG1-CE2 4.49Å; V77-F263 HydrophobicContact CG1-CZ 3.97Å; F81-F263 HydrophobicContact CD1-CD1 4.38Å; F81-F263 AromaticContact CD1-CE1 3.93Å; F81-F263 HydrophobicContact CD1-CE1 3.93Å; F81-F263 HydrophobicContact CD2-CE1 4.05Å; F81-F263 HydrophobicContact CD2-CZ 4.44Å; F81-F263 HydrophobicContact CE1-CD1 4.07Å; F81-F263 AromaticContact CE1-CE1 3.89Å; F81-F263 HydrophobicContact CE1-CE1 3.89Å; F81-F263 HydrophobicContact CE2-CE1 4Å; F81-F263 HydrophobicContact CE2-CZ 4.35Å; F81-F263 HydrophobicContact CG-CE1 4.02Å; F81-F263 HydrophobicContact CZ-CD1 4.3Å; F81-F263 AromaticContact CZ-CE1 3.94Å; F81-F263 HydrophobicContact CZ-CE1 3.94Å; I84-F263 HydrophobicContact CD1-CD1 3.65Å; I84-F263 HydrophobicContact CD1-CE1 4.17Å; M208-F263 HydrophobicContact SD-CD1 4.37Å; Y246-F263 HydrophobicContact CD1-CB 4.14Å; Y246-F263 HydrophobicContact CG-CB 4.45Å; F249-F263 HydrophobicContact CE2-CD2 4.43Å; F249-F263 HydrophobicContact CE2-CG 4.45Å; F249-F263 HydrophobicContact CZ-CD1 4.14Å; F249-F263 HydrophobicContact CZ-CE1 4.2Å; F249-F263 HydrophobicContact CZ-CG 4.44Å; L255-F263 HydrophobicContact CD1-CD2 4.4Å; L255-F263 HydrophobicContact CD2-CD2 3.61Å; L255-F263 HydrophobicContact CD2-CE2 3.93Å; D259-F263 HydrophobicContact CB-CE2 4.47Å; D259-F263 VanDerWaalsContact O-CD2 3.32Å; D259-F263 WeakPolarHBondContact O-CD2 3.46Å; D259-F263 PolarHBondContact O-N 3.2Å; F263-V265 PolarHBondContact O-N 3.37Å
264R86.7Confident86.7Confident97 Ų9745.4 Ų45.437%0.36623%0.229SC..  trans-70.4127.3174.9-179.4180-62.1-170.9-1110.1S260S260-R264 VanDerWaalsContact O-CB 3.23Å; S260-R264 WeakPolarHBondContact O-CB 3.4Å; S260-R264 PolarHBondContact O-N 3.43Å
265V88.5Confident87.4Confident11 Ų1142.1 Ų42.17%0.06722%0.215CC..  trans-106.7120.2175.1175.70000108.9M208 Y242 V243 F263 S267M208-V265 HydrophobicContact CB-CG2 3.98Å; M208-V265 HydrophobicContact CE-CG2 3.7Å; M208-V265 HydrophobicContact CG-CG2 3.76Å; Y242-V265 HydrophobicContact CD1-CG1 3.83Å; Y242-V265 HydrophobicContact CD1-CG2 4.28Å; Y242-V265 HydrophobicContact CE1-CB 4.33Å; Y242-V265 HydrophobicContact CE1-CG1 3.37Å; Y242-V265 HydrophobicContact CE1-CG2 3.97Å; Y242-V265 WeakPolarHBondContact O-CG2 3.44Å; V243-V265 HydrophobicContact CG2-CG1 4.09Å; F263-V265 PolarHBondContact O-N 3.37Å; V265-S267 VanDerWaalsContact CG1-O 3.27Å; V265-S267 WeakPolarHBondContact CG1-O 3.4Å
266E85.5Confident88.1Confident164 Ų16447.6 Ų47.677%0.76624%0.238SC*.SBendtrans-94.5-26.7176-63.4-177.4169.800112.2
267S90.4Very high89.1Confident80 Ų8047.9 Ų47.956%0.55924%0.241SC*.SBendtrans-153.6155.9178.361.80000111.3V265V265-S267 VanDerWaalsContact CG1-O 3.27Å; V265-S267 WeakPolarHBondContact CG1-O 3.4Å
268I92.4Very high90.1Very high35 Ų3547.8 Ų47.818%0.17924%0.239CC..PPolyproline II helixtrans-77.7134.6170-63.8168000107.9L232 V235 N236 Y242 V243 W421L232-I268 HydrophobicContact CD2-CG2 4.13Å; V235-I268 HydrophobicContact CG1-CD1 4.11Å; V235-I268 HydrophobicContact CG1-CG1 4.12Å; V235-I268 HydrophobicContact CG1-CG2 4Å; N236-I268 HydrophobicContact CB-CD1 4.13Å; N236-I268 WeakPolarHBondContact OD1-CD1 3.4Å; Y242-I268 HydrophobicContact CD1-CG1 4.32Å; Y242-I268 HydrophobicContact CE1-CG1 4.5Å; V243-I268 HydrophobicContact CG2-CG1 4.31Å; I268-W421 HydrophobicContact CG1-CH2 4.34Å
269P95.4Very high90.9Very high12 Ų1245.9 Ų45.98%0.07824%0.235CC..PPolyproline II helixtrans-63.2141.2-179.826.7-35.7000111.1P209 L212 L232 Y242 L274P209-P269 HydrophobicContact CB-CB 4.33Å; P209-P269 HydrophobicContact CB-CG 4.44Å; P209-P269 HydrophobicContact CG-CB 4.48Å; L212-P269 HydrophobicContact CD1-CG 4.05Å; L232-P269 HydrophobicContact CD2-CG 4.15Å; L232-P269 WeakPolarHBondContact CD2-O 2.87Å; Y242-P269 WeakPolarHBondContact OH-CD 3.44Å; P269-L274 HydrophobicContact CB-CB 4.44Å; P269-L274 HydrophobicContact CG-CD1 4.38Å
270S95.9Very high91.6Very high72 Ų7248.5 Ų48.550%0.50326%0.257SS..PPolyproline II helixtrans-68154.3171.966.30000111.4S272 H273 L274S270-S272 VanDerWaalsContact C-N 3.31Å; S270-S272 PolarHBondContact O-N 3.1Å; S270-H273 PolarHBondContact O-N 2.92Å; S270-H273 WeakPolarHBondContact OG-CB 3.17Å; S270-H273 PolarHBondContact OG-N 3.38Å; S270-L274 PolarHBondContact O-N 3.12Å
271Y96.4Very high92.2Very high10 Ų1048.7 Ų48.74%0.03926%0.258CS..Hα-helixtrans-47-51.6174.4-178.3-80.5000112.6L228 A229 L232 H273 L274 H275 H348 D350 V351 V550L228-Y271 HydrophobicContact CB-CD2 4.23Å; L228-Y271 HydrophobicContact CB-CE2 3.66Å; L228-Y271 HydrophobicContact CD2-CD1 4.36Å; L228-Y271 HydrophobicContact CD2-CD2 3.87Å; L228-Y271 HydrophobicContact CD2-CE1 4.16Å; L228-Y271 HydrophobicContact CD2-CE2 3.67Å; L228-Y271 HydrophobicContact CD2-CG 4.2Å; L228-Y271 HydrophobicContact CG-CD2 3.77Å; L228-Y271 HydrophobicContact CG-CE2 3.66Å; L228-Y271 HydrophobicContact CG-CG 4.5Å; A229-Y271 HydrophobicContact CB-CE2 4.48Å; L232-Y271 VanDerWaalsContact CD1-CA 3.46Å; L232-Y271 HydrophobicContact CD1-CD2 4.34Å; Y271-H273 VanDerWaalsContact C-N 3.32Å; Y271-H273 PolarHBondContact O-N 3.28Å; Y271-L274 PolarHBondContact O-N 3.38Å; Y271-H275 VanDerWaalsContact O-CB 3.27Å; Y271-H275 WeakPolarHBondContact O-CB 3.47Å; Y271-H275 PolarHBondContact O-N 3.47Å; Y271-H348 AromaticContact CE1-CD2 3.54Å; Y271-D350 VanDerWaalsContact CE2-OD2 3.29Å; Y271-D350 WeakPolarHBondContact CE2-OD2 3.47Å; Y271-D350 PolarHBondContact OH-OD1 3.14Å; Y271-V351 HydrophobicContact CE1-CG2 4.18Å; Y271-V550 HydrophobicContact CD1-CG1 3.76Å; Y271-V550 HydrophobicContact CD2-CG1 3.78Å; Y271-V550 HydrophobicContact CE1-CG1 4.25Å; Y271-V550 HydrophobicContact CE2-CG1 4.26Å; Y271-V550 HydrophobicContact CG-CG1 3.52Å
272S93.8Very high92.8Very high48 Ų4844.6 Ų44.634%0.33624%0.236SC..Hα-helixtrans-66.6-31.8-178.7-47.50000113.4S270 K276S270-S272 VanDerWaalsContact C-N 3.31Å; S270-S272 PolarHBondContact O-N 3.1Å; S272-K276 VanDerWaalsContact O-CG 3.27Å; S272-K276 WeakPolarHBondContact O-CG 3.35Å; S272-K276 PolarHBondContact O-N 3.21Å
273H94.3Very high93.1Very high71 Ų7147 Ų4733%0.32925%0.252SS..Hα-helixtrans-70.8-48.5175.2173.953.7000110.5S270 Y271 H275 K276 E277S270-H273 PolarHBondContact O-N 2.92Å; S270-H273 WeakPolarHBondContact OG-CB 3.17Å; S270-H273 PolarHBondContact OG-N 3.38Å; Y271-H273 VanDerWaalsContact C-N 3.32Å; Y271-H273 PolarHBondContact O-N 3.28Å; H273-H275 VanDerWaalsContact C-N 3.33Å; H273-H275 PolarHBondContact O-N 3.26Å; H273-K276 PolarHBondContact O-N 3.23Å; H273-E277 IonicContact CE1-OE1 2.83Å; H273-E277 PolarHBondContact CE1-OE1 3.33Å; H273-E277 PolarHBondContact O-N 3.16Å
274L96Very high93.2Very high0 Ų050 Ų500%026%0.264CS..Hα-helixtrans-64.5-38.9-178.8-16960.3000111.9P209 L212 A213 L228 L231 L232 P269 S270 Y271 K276 E277 A278P209-L274 WeakPolarHBondContact O-CD1 3.4Å; L212-L274 HydrophobicContact CB-CD1 3.83Å; L212-L274 HydrophobicContact CB-CD2 3.89Å; L212-L274 HydrophobicContact CD1-CD2 4.42Å; A213-L274 HydrophobicContact CB-CD1 3.9Å; L228-L274 HydrophobicContact CD1-CB 4.42Å; L228-L274 HydrophobicContact CD1-CD2 3.57Å; L228-L274 HydrophobicContact CD1-CG 3.98Å; L231-L274 HydrophobicContact CD2-CD2 4.47Å; L232-L274 HydrophobicContact CD1-CD2 4.36Å; L232-L274 HydrophobicContact CD2-CD2 3.6Å; L232-L274 HydrophobicContact CG-CD2 3.98Å; P269-L274 HydrophobicContact CB-CB 4.44Å; P269-L274 HydrophobicContact CG-CD1 4.38Å; S270-L274 PolarHBondContact O-N 3.12Å; Y271-L274 PolarHBondContact O-N 3.38Å; L274-K276 PolarHBondContact O-N 3.48Å; L274-E277 PolarHBondContact O-N 2.99Å; L274-A278 WeakPolarHBondContact O-CB 3.22Å; L274-A278 PolarHBondContact O-N 3.27Å
275H95.4Very high93.5Very high9 Ų945.5 Ų45.54%0.04225%0.248CC..Hα-helixtrans-59.2-44.2173.2-175.1-85.4000112.5L228 Y271 H273 A278 Q279 L346 H348L228-H275 HydrophobicContact CD2-CB 3.82Å; Y271-H275 VanDerWaalsContact O-CB 3.27Å; Y271-H275 WeakPolarHBondContact O-CB 3.47Å; Y271-H275 PolarHBondContact O-N 3.47Å; H273-H275 VanDerWaalsContact C-N 3.33Å; H273-H275 PolarHBondContact O-N 3.26Å; H275-A278 PolarHBondContact O-N 2.69Å; H275-Q279 PolarHBondContact O-N 3.31Å; H275-L346 PolarHBondContact CE1-O 2.95Å; H275-L346 WeakPolarHBondContact NE2-CB 3.36Å; H275-L346 VanDerWaalsContact NE2-CG 3.33Å; H275-L346 WeakPolarHBondContact NE2-CG 3.31Å; H275-L346 PolarHBondContact NE2-O 3.27Å; H275-H348 AromaticContact CD2-CD2 3.31Å; H275-H348 PolarHBondContact CD2-CD2 2.76Å; H275-H348 AromaticContact CD2-NE2 3.49Å; H275-H348 PolarHBondContact CD2-NE2 2.85Å; H275-H348 AromaticContact CE1-CD2 3.73Å; H275-H348 AromaticContact CE1-CE1 3.66Å; H275-H348 AromaticContact CE1-NE2 3.2Å; H275-H348 PolarHBondContact CE1-NE2 3.36Å; H275-H348 AromaticContact CG-CD2 3.8Å; H275-H348 AromaticContact CG-NE2 3.53Å; H275-H348 AromaticContact ND1-NE2 3.37Å; H275-H348 PolarHBondContact ND1-NE2 2.99Å; H275-H348 AromaticContact NE2-CD2 3.28Å; H275-H348 PolarHBondContact NE2-CD2 3.03Å; H275-H348 VanDerWaalsContact NE2-CD2 3.28Å; H275-H348 AromaticContact NE2-CE1 3.89Å; H275-H348 AromaticContact NE2-CG 3.97Å; H275-H348 AromaticContact NE2-NE2 3.3Å; H275-H348 PolarHBondContact NE2-NE2 2.73Å
276K93.6Very high93.8Very high142 Ų14250.4 Ų50.462%0.61727%0.27SS*.Hα-helixtrans-65.4-41.9175.9-74.9173.7-176.5-179.90112.1S272 H273 L274 Q279 A280S272-K276 VanDerWaalsContact O-CG 3.27Å; S272-K276 WeakPolarHBondContact O-CG 3.35Å; S272-K276 PolarHBondContact O-N 3.21Å; H273-K276 PolarHBondContact O-N 3.23Å; L274-K276 PolarHBondContact O-N 3.48Å; K276-Q279 PolarHBondContact O-N 3.01Å; K276-A280 WeakPolarHBondContact O-CB 3.42Å; K276-A280 PolarHBondContact O-N 2.97Å
277E94.9Very high94.2Very high47 Ų4742.6 Ų42.622%0.2223%0.234CC..Hα-helixtrans-62.6-42.6175.2-72.7-64.2148.800111.2K210 A213 H273 L274 A280 L281K210-E277 WeakPolarHBondContact CE-OE2 3.42Å; K210-E277 WeakPolarHBondContact CG-OE2 3.2Å; A213-E277 HydrophobicContact CB-CB 4.14Å; H273-E277 IonicContact CE1-OE1 2.83Å; H273-E277 PolarHBondContact CE1-OE1 3.33Å; H273-E277 PolarHBondContact O-N 3.16Å; L274-E277 PolarHBondContact O-N 2.99Å; E277-A280 PolarHBondContact O-N 2.9Å; E277-L281 WeakPolarHBondContact O-CB 3.48Å; E277-L281 PolarHBondContact O-N 3.32Å
278A96.4Very high94.3Very high0 Ų042.4 Ų42.40%023%0.23CC..Hα-helixtrans-60.9-46.5175.700000111.7A213 L217 L274 H275 A280 L281 A282 L346A213-A278 HydrophobicContact CB-CB 4.09Å; L217-A278 WeakPolarHBondContact CD1-O 3.43Å; L217-A278 HydrophobicContact CD2-CB 4.15Å; L217-A278 HydrophobicContact CG-CB 4.15Å; L274-A278 WeakPolarHBondContact O-CB 3.22Å; L274-A278 PolarHBondContact O-N 3.27Å; H275-A278 PolarHBondContact O-N 2.69Å; A278-A280 PolarHBondContact O-N 3.03Å; A278-L281 PolarHBondContact O-N 3.38Å; A278-A282 WeakPolarHBondContact O-CB 3.26Å; A278-A282 PolarHBondContact O-N 3.01Å; A278-L346 HydrophobicContact CB-CD2 4.04Å
279Q94.5Very high94.3Very high63 Ų6345.7 Ų45.729%0.29425%0.248SC..Hα-helixtrans-61.9-45.9175.9-173.4177.5-100112H275 K276 L281 A282 V283 F337 L346H275-Q279 PolarHBondContact O-N 3.31Å; K276-Q279 PolarHBondContact O-N 3.01Å; Q279-L281 VanDerWaalsContact C-N 3.32Å; Q279-L281 PolarHBondContact O-N 3.17Å; Q279-A282 PolarHBondContact O-N 2.86Å; Q279-V283 WeakPolarHBondContact O-CG2 3.4Å; Q279-V283 PolarHBondContact O-N 3.4Å; Q279-V283 VanDerWaalsContact O-N 3.14Å; Q279-F337 HydrophobicContact CG-CZ 4.48Å; Q279-L346 HydrophobicContact CB-CB 4.43Å
280A93Very high94.3Very high55 Ų5545.3 Ų45.346%0.45525%0.245SC..Hα-helixtrans-63.3-39.2178.300000112K276 E277 A278 V283 F284K276-A280 WeakPolarHBondContact O-CB 3.42Å; K276-A280 PolarHBondContact O-N 2.97Å; E277-A280 PolarHBondContact O-N 2.9Å; A278-A280 PolarHBondContact O-N 3.03Å; A280-V283 PolarHBondContact O-N 2.76Å; A280-F284 WeakPolarHBondContact O-CB 3.45Å; A280-F284 PolarHBondContact O-N 3.08Å
281L94.4Very high94.2Very high4 Ų443.5 Ų43.52%0.02123%0.231CC..Hα-helixtrans-67.8-42.6178.2-171.459.4000111.3Y113 A213 L214 L217 E277 A278 Q279 V283 F284 L285Y113-L281 HydrophobicContact CD2-CD1 4.18Å; A213-L281 HydrophobicContact CB-CD2 4.17Å; L214-L281 HydrophobicContact CB-CD2 3.99Å; L214-L281 HydrophobicContact CD1-CD2 3.73Å; L214-L281 HydrophobicContact CD1-CG 4.33Å; L214-L281 HydrophobicContact CG-CD2 4.49Å; L217-L281 HydrophobicContact CD1-CB 4.25Å; L217-L281 HydrophobicContact CD1-CD2 4.36Å; L217-L281 HydrophobicContact CD1-CG 4.33Å; E277-L281 WeakPolarHBondContact O-CB 3.48Å; E277-L281 PolarHBondContact O-N 3.32Å; A278-L281 PolarHBondContact O-N 3.38Å; Q279-L281 VanDerWaalsContact C-N 3.32Å; Q279-L281 PolarHBondContact O-N 3.17Å; L281-V283 VanDerWaalsContact C-N 3.3Å; L281-V283 PolarHBondContact O-N 2.96Å; L281-F284 HydrophobicContact CD1-CD1 4.22Å; L281-F284 PolarHBondContact O-N 3.19Å; L281-L285 HydrophobicContact CD1-CD1 4.33Å; L281-L285 HydrophobicContact CD1-CG 4.29Å; L281-L285 HydrophobicContact CG-CD1 4.05Å; L281-L285 HydrophobicContact CG-CG 4.41Å; L281-L285 WeakPolarHBondContact O-CB 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 3.43Å
282A95Very high94Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-60.1-39.9175.400000112.3L217 A278 Q279 E286 L287 F337 P339L217-A282 HydrophobicContact CD1-CB 4Å; L217-A282 HydrophobicContact CD2-CB 4.04Å; A278-A282 WeakPolarHBondContact O-CB 3.26Å; A278-A282 PolarHBondContact O-N 3.01Å; Q279-A282 PolarHBondContact O-N 2.86Å; A282-E286 PolarHBondContact O-N 2.97Å; A282-L287 HydrophobicContact CB-CD1 4.02Å; A282-L287 PolarHBondContact O-N 2.85Å; A282-F337 HydrophobicContact CB-CE1 3.69Å; A282-F337 HydrophobicContact CB-CZ 3.9Å; A282-P339 HydrophobicContact CB-CB 3.95Å; A282-P339 HydrophobicContact CB-CG 4.06Å
283V92.9Very high94Very high68 Ų6843.7 Ų43.741%0.41223%0.233SC..Hα-helixtrans-67.7-44.6174.1173.70000111.3Q279 A280 L281 L285 E286Q279-V283 WeakPolarHBondContact O-CG2 3.4Å; Q279-V283 PolarHBondContact O-N 3.4Å; Q279-V283 VanDerWaalsContact O-N 3.14Å; A280-V283 PolarHBondContact O-N 2.76Å; L281-V283 VanDerWaalsContact C-N 3.3Å; L281-V283 PolarHBondContact O-N 2.96Å; V283-L285 VanDerWaalsContact C-N 3.3Å; V283-L285 PolarHBondContact O-N 3.18Å; V283-E286 PolarHBondContact O-N 3.42Å
284F92.5Very high93.8Very high61 Ų6142.5 Ų42.527%0.26823%0.231SC..Hα-helixtrans-60.5-39.1177.7170.7-99.7000112.7Y113 K116 A280 L281 E286Y113-F284 HydrophobicContact CD2-CD1 4.3Å; Y113-F284 AromaticContact CD2-CE1 3.75Å; Y113-F284 HydrophobicContact CD2-CE1 3.75Å; Y113-F284 AromaticContact CE2-CE1 3.86Å; Y113-F284 HydrophobicContact CE2-CE1 3.86Å; K116-F284 HydrophobicContact CB-CE1 3.9Å; K116-F284 HydrophobicContact CB-CZ 3.89Å; A280-F284 WeakPolarHBondContact O-CB 3.45Å; A280-F284 PolarHBondContact O-N 3.08Å; L281-F284 HydrophobicContact CD1-CD1 4.22Å; L281-F284 PolarHBondContact O-N 3.19Å; F284-E286 PolarHBondContact O-N 3.23Å
285L93.2Very high93.5Very high4 Ų447 Ų472%0.02125%0.254CS..THydrogen-bonded Turntrans-76.5-10.5176.7-66.3178.1000112.9M112 Y113 L214 L281 V283 L287M112-L285 HydrophobicContact CB-CD2 4.3Å; Y113-L285 HydrophobicContact CD2-CD2 4.3Å; L214-L285 HydrophobicContact CD1-CD1 3.87Å; L281-L285 HydrophobicContact CD1-CD1 4.33Å; L281-L285 HydrophobicContact CD1-CG 4.29Å; L281-L285 HydrophobicContact CG-CD1 4.05Å; L281-L285 HydrophobicContact CG-CG 4.41Å; L281-L285 WeakPolarHBondContact O-CB 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 3.43Å; V283-L285 VanDerWaalsContact C-N 3.3Å; V283-L285 PolarHBondContact O-N 3.18Å; L285-L287 VanDerWaalsContact C-N 3.26Å; L285-L287 HydrophobicContact CB-CD2 3.92Å; L285-L287 HydrophobicContact CB-CG 3.81Å; L285-L287 HydrophobicContact CD1-CD1 4.36Å; L285-L287 HydrophobicContact CD1-CD2 4.36Å; L285-L287 HydrophobicContact CD1-CG 4.39Å; L285-L287 PolarHBondContact O-N 3.26Å
286E93.4Very high93.2Very high113 Ų11352.7 Ų52.753%0.52829%0.285SS..THydrogen-bonded Turntrans53.243.9-172.4-64.1164.6-148.400111.7K116 A282 V283 F284 M340K116-E286 IonicContact NZ-OE1 2.73Å; K116-E286 PolarHBondContact NZ-OE1 2.97Å; K116-E286 IonicContact NZ-OE2 2.71Å; K116-E286 PolarHBondContact NZ-OE2 2.83Å; A282-E286 PolarHBondContact O-N 2.97Å; V283-E286 PolarHBondContact O-N 3.42Å; F284-E286 PolarHBondContact O-N 3.23Å; E286-M340 HydrophobicContact CB-SD 4.35Å; E286-M340 HydrophobicContact CG-CE 4.31Å
287L93.8Very high93.1Very high1 Ų146.5 Ų46.51%0.00526%0.259CS..  trans-62.2140.2-178.8-65.7-178.4000110.8F109 M112 L217 A282 L285 F290 P339F109-L287 HydrophobicContact CD1-CD2 4.07Å; F109-L287 HydrophobicContact CD2-CD1 4.39Å; F109-L287 HydrophobicContact CE1-CD1 4.38Å; F109-L287 HydrophobicContact CE1-CD2 3.81Å; F109-L287 HydrophobicContact CE2-CD1 3.89Å; F109-L287 HydrophobicContact CZ-CD1 3.88Å; F109-L287 HydrophobicContact CZ-CD2 4.15Å; M112-L287 HydrophobicContact CE-CD2 3.37Å; M112-L287 HydrophobicContact SD-CD2 4.35Å; L217-L287 HydrophobicContact CD1-CD1 4.24Å; A282-L287 HydrophobicContact CB-CD1 4.02Å; A282-L287 PolarHBondContact O-N 2.85Å; L285-L287 VanDerWaalsContact C-N 3.26Å; L285-L287 HydrophobicContact CB-CD2 3.92Å; L285-L287 HydrophobicContact CB-CG 3.81Å; L285-L287 HydrophobicContact CD1-CD1 4.36Å; L285-L287 HydrophobicContact CD1-CD2 4.36Å; L285-L287 HydrophobicContact CD1-CG 4.39Å; L285-L287 PolarHBondContact O-N 3.26Å; L287-F290 HydrophobicContact CB-CE2 4.05Å; L287-F290 HydrophobicContact CD1-CE2 3.87Å; L287-F290 HydrophobicContact CD1-CZ 3.83Å; L287-P339 HydrophobicContact CB-CG 4.12Å
288P93.3Very high92.9Very high76 Ų7649.4 Ų49.449%0.49428%0.276SS..  trans-70.9-177.5177.134.1-38.3000110.9W221 F290W221-P288 HydrophobicContact CH2-CG 3.64Å; W221-P288 HydrophobicContact CZ3-CG 3.87Å; P288-F290 PolarHBondContact O-N 2.94Å
289L93.1Very high92.7Very high103 Ų10349.7 Ų49.754%0.53928%0.277SS..PPolyproline II helixtrans-53.1128.4169.3-18063.5000110.1T336 E338L289-T336 HydrophobicContact CD1-CG2 3.59Å; L289-T336 HydrophobicContact CG-CG2 4.19Å; L289-E338 HydrophobicContact CD1-CB 4Å; L289-E338 HydrophobicContact CD1-CG 3.42Å; L289-E338 VanDerWaalsContact CD1-CG 3.42Å
290F94.8Very high92.6Very high4 Ų446.7 Ų46.72%0.01826%0.263CS..PPolyproline II helixtrans-70.6156.9176.3-84.2-126000110.7F109 L217 L220 W221 L287 P288 T336 F337 P339F109-F290 HydrophobicContact CE2-CZ 4.46Å; F109-F290 HydrophobicContact CZ-CZ 4.39Å; L217-F290 HydrophobicContact CB-CZ 4.41Å; L217-F290 HydrophobicContact CD2-CZ 4.05Å; L217-F290 WeakPolarHBondContact O-CE1 3.45Å; L220-F290 HydrophobicContact CB-CD1 4.33Å; L220-F290 HydrophobicContact CB-CE1 4.14Å; L220-F290 HydrophobicContact CD2-CD1 3.92Å; L220-F290 HydrophobicContact CD2-CE1 3.96Å; L220-F290 HydrophobicContact CG-CD1 3.82Å; L220-F290 HydrophobicContact CG-CE1 4.04Å; W221-F290 HydrophobicContact CB-CD1 4.05Å; W221-F290 HydrophobicContact CB-CE1 3.86Å; W221-F290 HydrophobicContact CE3-CB 4.45Å; W221-F290 AromaticContact CE3-CD1 3.89Å; W221-F290 HydrophobicContact CE3-CD1 3.89Å; W221-F290 AromaticContact CE3-CD2 3.87Å; W221-F290 HydrophobicContact CE3-CD2 3.87Å; W221-F290 HydrophobicContact CE3-CE1 4.02Å; W221-F290 AromaticContact CE3-CE2 3.99Å; W221-F290 HydrophobicContact CE3-CE2 3.99Å; W221-F290 AromaticContact CE3-CG 3.81Å; W221-F290 HydrophobicContact CE3-CG 3.81Å; W221-F290 HydrophobicContact CE3-CZ 4.06Å; W221-F290 HydrophobicContact CZ3-CD2 4.05Å; W221-F290 HydrophobicContact CZ3-CE2 4.33Å; W221-F290 HydrophobicContact CZ3-CG 4.27Å; L287-F290 HydrophobicContact CB-CE2 4.05Å; L287-F290 HydrophobicContact CD1-CE2 3.87Å; L287-F290 HydrophobicContact CD1-CZ 3.83Å; P288-F290 PolarHBondContact O-N 2.94Å; F290-T336 HydrophobicContact CB-CG2 4.38Å; F290-T336 WeakPolarHBondContact O-CG2 3.39Å; F290-F337 HydrophobicContact CB-CB 4.34Å; F290-F337 HydrophobicContact CD1-CD1 4.35Å; F290-F337 AromaticContact CD2-CD1 3.79Å; F290-F337 HydrophobicContact CD2-CD1 3.79Å; F290-F337 HydrophobicContact CE1-CD1 4.25Å; F290-F337 AromaticContact CE2-CD1 3.71Å; F290-F337 HydrophobicContact CE2-CD1 3.71Å; F290-F337 HydrophobicContact CE2-CE1 4.06Å; F290-F337 HydrophobicContact CG-CB 4.28Å; F290-F337 HydrophobicContact CG-CD1 4.13Å; F290-F337 AromaticContact CZ-CD1 3.96Å; F290-F337 HydrophobicContact CZ-CD1 3.96Å; F290-F337 HydrophobicContact CZ-CE1 4.27Å; F290-F337 PolarHBondContact N-O 3.3Å; F290-P339 HydrophobicContact CD2-CG 4.09Å; F290-P339 HydrophobicContact CE2-CG 3.87Å
291P94.2Very high92.7Very high34 Ų3444.1 Ų44.122%0.22124%0.242CC..PPolyproline II helixtrans-52.9140.6169.9-27.337.3000111.4W221 R223 I293W221-P291 HydrophobicContact CD2-CG 4.39Å; R223-P291 HydrophobicContact CG-CB 4.4Å; P291-I293 PolarHBondContact O-N 2.9Å
292P92.1Very high92.5Very high61 Ų6144.4 Ų44.440%0.39624%0.244SC..PPolyproline II helixtrans-65.2134.8-177.626.6-33.8000111.3R223 T294 T336R223-P292 PolarHBondContact NH1-O 3.33Å; P292-T294 HydrophobicContact CB-CG2 4.34Å; P292-T294 PolarHBondContact O-N 2.96Å; P292-T336 WeakPolarHBondContact CA-OG1 3.43Å
293I92.6Very high92.5Very high2 Ų246.7 Ų46.71%0.0126%0.256CS..  trans-88.593.5169.4-50.4-57.5000107L220 R223 P291 C297 L299 H300 S334 V335 Y349L220-I293 HydrophobicContact CD1-CD1 4.24Å; L220-I293 HydrophobicContact CD1-CG1 4.5Å; R223-I293 HydrophobicContact CB-CD1 4.39Å; R223-I293 HydrophobicContact CG-CD1 3.71Å; P291-I293 PolarHBondContact O-N 2.9Å; I293-C297 HydrophobicContact CG2-CB 3.84Å; I293-L299 HydrophobicContact CD1-CD1 4.41Å; I293-L299 HydrophobicContact CG2-CB 4.15Å; I293-H300 HydrophobicContact CG2-CB 3.97Å; I293-H300 PolarHBondContact O-CD2 3.44Å; I293-S334 VanDerWaalsContact O-CA 3.23Å; I293-S334 WeakPolarHBondContact O-CA 3.4Å; I293-S334 WeakPolarHBondContact O-CB 3.15Å; I293-V335 WeakPolarHBondContact CB-O 3.42Å; I293-V335 WeakPolarHBondContact CG1-O 3.47Å; I293-V335 PolarHBondContact O-N 2.9Å; I293-Y349 HydrophobicContact CB-CE1 4.37Å; I293-Y349 HydrophobicContact CG1-CE1 4.15Å; I293-Y349 HydrophobicContact CG2-CE1 4.38Å
294T91.5Very high92.6Very high46 Ų4643.7 Ų43.728%0.28224%0.238SC..  trans-83.8169.717945.80000111.2P292 D296 C297 H300P292-T294 HydrophobicContact CB-CG2 4.34Å; P292-T294 PolarHBondContact O-N 2.96Å; T294-D296 WeakPolarHBondContact CB-OD1 3.31Å; T294-D296 PolarHBondContact O-N 3.42Å; T294-D296 VanDerWaalsContact O-N 3.14Å; T294-D296 PolarHBondContact OG1-OD1 3.19Å; T294-C297 VanDerWaalsContact O-CB 3.3Å; T294-C297 WeakPolarHBondContact O-CB 3.46Å; T294-C297 PolarHBondContact O-N 3.38Å; T294-C297 PolarHBondContact OG1-SG 3.45Å; T294-H300 WeakPolarHBondContact O-CB 3.08Å
295L88.3Confident92.8Very high95 Ų9540.8 Ų40.850%0.49723%0.225SC..THydrogen-bonded Turntrans-58.7-26.1-175.6-73.1161.5000114.3H300 L303L295-H300 WeakPolarHBondContact CD2-CE1 3.24Å; L295-L303 WeakPolarHBondContact O-CD1 3.43Å
296D89.1Confident92.9Very high127 Ų12743.6 Ų43.668%0.67924%0.24SC*.THydrogen-bonded Turntrans-84.6-9.4177.660.7-44.1000113.7T294 L303T294-D296 WeakPolarHBondContact CB-OD1 3.31Å; T294-D296 PolarHBondContact O-N 3.42Å; T294-D296 VanDerWaalsContact O-N 3.14Å; T294-D296 PolarHBondContact OG1-OD1 3.19Å; D296-L303 WeakPolarHBondContact O-CD1 3.45Å
297C91.7Very high93Very high13 Ų1340.2 Ų40.29%0.08822%0.222CC..SBendtrans-77.7131.6176.5-680000110.7I293 T294 L299 H300I293-C297 HydrophobicContact CG2-CB 3.84Å; T294-C297 VanDerWaalsContact O-CB 3.3Å; T294-C297 WeakPolarHBondContact O-CB 3.46Å; T294-C297 PolarHBondContact O-N 3.38Å; T294-C297 PolarHBondContact OG1-SG 3.45Å; C297-L299 PolarHBondContact O-N 2.9Å; C297-H300 WeakPolarHBondContact O-CB 3.33Å; C297-H300 PolarHBondContact O-N 3.21Å
298L91.3Very high93.1Very high108 Ų10840.5 Ų40.557%0.56522%0.223SC*.THydrogen-bonded Turntrans-58.8-23.3179.5-65.6175.1000114.1A225 H300 L303 L304A225-L298 HydrophobicContact CB-CB 3.76Å; A225-L298 HydrophobicContact CB-CD1 3.77Å; A225-L298 HydrophobicContact CB-CG 4.42Å; L298-H300 VanDerWaalsContact C-N 3.34Å; L298-L303 HydrophobicContact CD2-CD1 4.36Å; L298-L304 VanDerWaalsContact O-CD2 3.28Å; L298-L304 WeakPolarHBondContact O-CD2 3.37Å; L298-L304 WeakPolarHBondContact O-CG 3.35Å
299L91.4Very high93.3Very high6 Ų636.9 Ų36.93%0.03120%0.2CC..THydrogen-bonded Turntrans-79.3-12.1173.7-74.6179000114.2L220 E224 T227 I293 C297 L304 Y349L220-L299 HydrophobicContact CD1-CD1 3.94Å; E224-L299 WeakPolarHBondContact O-CD1 3.35Å; E224-L299 VanDerWaalsContact O-CD2 3.23Å; E224-L299 WeakPolarHBondContact O-CD2 3.32Å; E224-L299 WeakPolarHBondContact O-CG 3.22Å; T227-L299 HydrophobicContact CG2-CD2 4.23Å; I293-L299 HydrophobicContact CD1-CD1 4.41Å; I293-L299 HydrophobicContact CG2-CB 4.15Å; C297-L299 PolarHBondContact O-N 2.9Å; L299-L304 VanDerWaalsContact O-CD1 3.25Å; L299-L304 WeakPolarHBondContact O-CD1 3.13Å; L299-Y349 WeakPolarHBondContact O-CB 3.48Å
300H93.4Very high93.4Very high0 Ų034.2 Ų34.20%019%0.188CC..SBendtrans-65.7139-179.7-167.9-95.2000109.9I293 T294 L295 C297 L298 S302 L303 L304I293-H300 HydrophobicContact CG2-CB 3.97Å; I293-H300 PolarHBondContact O-CD2 3.44Å; T294-H300 WeakPolarHBondContact O-CB 3.08Å; L295-H300 WeakPolarHBondContact CD2-CE1 3.24Å; C297-H300 WeakPolarHBondContact O-CB 3.33Å; C297-H300 PolarHBondContact O-N 3.21Å; L298-H300 VanDerWaalsContact C-N 3.34Å; H300-S302 PolarHBondContact ND1-N 3.05Å; H300-S302 PolarHBondContact ND1-OG 2.67Å; H300-S302 PolarHBondContact O-N 3.48Å; H300-L303 PolarHBondContact O-N 3.4Å; H300-L304 PolarHBondContact O-N 3.23Å
301P93.9Very high93.4Very high1 Ų134.2 Ų34.21%0.00619%0.188CC..Hα-helixtrans-54.6-31-177.1-29.437.1000114T305 M326 Y349 Q352 L356P301-T305 WeakPolarHBondContact O-CG2 3.39Å; P301-T305 PolarHBondContact O-N 2.84Å; P301-M326 HydrophobicContact CB-CE 4.44Å; P301-Y349 HydrophobicContact CG-CD1 4.31Å; P301-Q352 HydrophobicContact CB-CB 4.33Å; P301-Q352 HydrophobicContact CG-CB 4.21Å; P301-L356 HydrophobicContact CB-CD1 4.04Å
302S92.1Very high93.5Very high9 Ų932.6 Ų32.66%0.06318%0.177CC..Hα-helixtrans-60.4-55.9174600000111.7H300 L304 T305 H319H300-S302 PolarHBondContact ND1-N 3.05Å; H300-S302 PolarHBondContact ND1-OG 2.67Å; H300-S302 PolarHBondContact O-N 3.48Å; S302-L304 PolarHBondContact O-N 2.66Å; S302-T305 PolarHBondContact O-N 3.21Å; S302-T305 VanDerWaalsContact O-N 3.13Å; S302-T305 PolarHBondContact O-OG1 2.71Å; S302-H319 PolarHBondContact O-CE1 2.81Å
303L93.8Very high93.7Very high49 Ų4929.7 Ų29.726%0.25716%0.158SC..Hα-helixtrans-70.3-33-178.9-67.8-176.7000112.3L295 D296 L298 H300 T305 L306 R307L295-L303 WeakPolarHBondContact O-CD1 3.43Å; D296-L303 WeakPolarHBondContact O-CD1 3.45Å; L298-L303 HydrophobicContact CD2-CD1 4.36Å; H300-L303 PolarHBondContact O-N 3.4Å; L303-T305 PolarHBondContact O-N 3.17Å; L303-L306 HydrophobicContact CD2-CD1 3.91Å; L303-L306 WeakPolarHBondContact O-CB 3.35Å; L303-L306 PolarHBondContact O-N 2.81Å; L303-R307 PolarHBondContact O-N 2.84Å
304L95.1Very high93.9Very high5 Ų529.6 Ų29.63%0.02616%0.158CC..Hα-helixtrans-61.4-32.1171.3-73.3180000112.3T227 L298 L299 H300 S302 L306 R307 Y308 A353T227-L304 HydrophobicContact CG2-CD1 4.25Å; T227-L304 HydrophobicContact CG2-CD2 3.87Å; L298-L304 VanDerWaalsContact O-CD2 3.28Å; L298-L304 WeakPolarHBondContact O-CD2 3.37Å; L298-L304 WeakPolarHBondContact O-CG 3.35Å; L299-L304 VanDerWaalsContact O-CD1 3.25Å; L299-L304 WeakPolarHBondContact O-CD1 3.13Å; H300-L304 PolarHBondContact O-N 3.23Å; S302-L304 PolarHBondContact O-N 2.66Å; L304-L306 VanDerWaalsContact C-N 3.32Å; L304-L306 PolarHBondContact O-N 3.11Å; L304-R307 PolarHBondContact O-N 3.01Å; L304-Y308 HydrophobicContact CB-CD2 4.32Å; L304-Y308 HydrophobicContact CB-CE2 4.16Å; L304-Y308 WeakPolarHBondContact O-CD2 3.41Å; L304-Y308 PolarHBondContact O-N 3.45Å; L304-A353 HydrophobicContact CB-CB 3.62Å
305T96.4Very high94.1Very high0 Ų027.4 Ų27.40%015%0.145CC..Hα-helixtrans-63.7-36.6176.165.30000112.6P301 S302 L303 R307 Y308 L309 H319 V322 A353 L356 I357P301-T305 WeakPolarHBondContact O-CG2 3.39Å; P301-T305 PolarHBondContact O-N 2.84Å; S302-T305 PolarHBondContact O-N 3.21Å; S302-T305 VanDerWaalsContact O-N 3.13Å; S302-T305 PolarHBondContact O-OG1 2.71Å; L303-T305 PolarHBondContact O-N 3.17Å; T305-R307 VanDerWaalsContact C-N 3.33Å; T305-R307 PolarHBondContact O-N 3.2Å; T305-Y308 PolarHBondContact O-N 3.45Å; T305-L309 WeakPolarHBondContact O-CB 3.47Å; T305-L309 WeakPolarHBondContact O-CG 3.42Å; T305-L309 PolarHBondContact O-N 3.03Å; T305-H319 PolarHBondContact OG1-CE1 3.4Å; T305-H319 PolarHBondContact OG1-ND1 3.23Å; T305-V322 HydrophobicContact CG2-CG1 3.63Å; T305-V322 HydrophobicContact CG2-CG2 4.42Å; T305-A353 HydrophobicContact CG2-CB 3.95Å; T305-A353 WeakPolarHBondContact CG2-O 3.4Å; T305-L356 HydrophobicContact CG2-CB 4.13Å; T305-L356 HydrophobicContact CG2-CD1 4.31Å; T305-I357 HydrophobicContact CG2-CD1 4.37Å; T305-I357 HydrophobicContact CG2-CG1 4.01Å
306L95.5Very high94.3Very high62 Ų6226.7 Ų26.733%0.32514%0.141SC..Hα-helixtrans-58.1-49.4174.6-71.2167.5000110.4L303 L304 Y308 L309 T310 H319L303-L306 HydrophobicContact CD2-CD1 3.91Å; L303-L306 WeakPolarHBondContact O-CB 3.35Å; L303-L306 PolarHBondContact O-N 2.81Å; L304-L306 VanDerWaalsContact C-N 3.32Å; L304-L306 PolarHBondContact O-N 3.11Å; L306-Y308 VanDerWaalsContact C-N 3.33Å; L306-Y308 PolarHBondContact O-N 3.27Å; L306-L309 PolarHBondContact O-N 3.36Å; L306-T310 PolarHBondContact O-N 3.11Å; L306-T310 PolarHBondContact O-OG1 2.98Å; L306-H319 HydrophobicContact CD2-CB 3.72Å
307R95.1Very high94.5Very high43 Ų4324.3 Ų24.316%0.16213%0.126CC..Hα-helixtrans-57-45.6176.4177.7-179.4170.6-161.8-9.2112.2D230 L303 L304 T305 T310 E311 S468 F469D230-R307 VanDerWaalsContact CG-NH2 3.27Å; D230-R307 IonicContact OD1-CZ 2.8Å; D230-R307 IonicContact OD1-NH1 2.69Å; D230-R307 IonicContact OD1-NH2 2.75Å; D230-R307 PolarHBondContact OD1-NH2 3.49Å; D230-R307 IonicContact OD2-CZ 3.6Å; D230-R307 IonicContact OD2-NH1 3.44Å; D230-R307 PolarHBondContact OD2-NH1 2.88Å; D230-R307 IonicContact OD2-NH2 3.11Å; D230-R307 PolarHBondContact OD2-NH2 3.29Å; L303-R307 PolarHBondContact O-N 2.84Å; L304-R307 PolarHBondContact O-N 3.01Å; T305-R307 VanDerWaalsContact C-N 3.33Å; T305-R307 PolarHBondContact O-N 3.2Å; R307-T310 WeakPolarHBondContact O-CB 3.26Å; R307-T310 PolarHBondContact O-N 3.4Å; R307-E311 WeakPolarHBondContact O-CB 3.46Å; R307-E311 PolarHBondContact O-N 3.34Å; R307-S468 PolarHBondContact NH2-O 3.41Å; R307-F469 HydrophobicContact CG-CE1 4.01Å; R307-F469 HydrophobicContact CG-CZ 4.32Å
308Y96.8Very high94.7Very high6 Ų623.7 Ų23.72%0.02412%0.122CC..Hα-helixtrans-76.1-25.2-178-72-51.7000113.9L304 T305 L306 A312 D350 A353 L548L304-Y308 HydrophobicContact CB-CD2 4.32Å; L304-Y308 HydrophobicContact CB-CE2 4.16Å; L304-Y308 WeakPolarHBondContact O-CD2 3.41Å; L304-Y308 PolarHBondContact O-N 3.45Å; T305-Y308 PolarHBondContact O-N 3.45Å; L306-Y308 VanDerWaalsContact C-N 3.33Å; L306-Y308 PolarHBondContact O-N 3.27Å; Y308-A312 WeakPolarHBondContact O-CB 3.2Å; Y308-A312 PolarHBondContact O-N 3.44Å; Y308-D350 HydrophobicContact CE2-CB 4.12Å; Y308-D350 WeakPolarHBondContact OH-CB 3.34Å; Y308-A353 HydrophobicContact CD2-CB 3.73Å; Y308-A353 HydrophobicContact CE2-CB 3.94Å; Y308-L548 HydrophobicContact CE1-CD2 3.63Å; Y308-L548 HydrophobicContact CE2-CD2 4.21Å; Y308-L548 VanDerWaalsContact CZ-CD2 3.44Å; Y308-L548 VanDerWaalsContact OH-CD2 3.25Å; Y308-L548 WeakPolarHBondContact OH-CD2 3.29Å
309L97.4Very high94.9Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-66.1-44.2167.7-72.8169.6000109.9T305 L306 A312 N313 L314 L318 H319 I357T305-L309 WeakPolarHBondContact O-CB 3.47Å; T305-L309 WeakPolarHBondContact O-CG 3.42Å; T305-L309 PolarHBondContact O-N 3.03Å; L306-L309 PolarHBondContact O-N 3.36Å; L309-A312 CarbonylContact O-C 3.59Å; L309-A312 PolarHBondContact O-N 2.93Å; L309-N313 PolarHBondContact O-N 3.24Å; L309-L314 HydrophobicContact CB-CB 4.44Å; L309-L314 HydrophobicContact CD2-CB 3.68Å; L309-L314 HydrophobicContact CD2-CD1 3.87Å; L309-L314 HydrophobicContact CD2-CG 4.44Å; L309-L314 PolarHBondContact O-N 3.44Å; L309-L318 HydrophobicContact CD1-CB 4.07Å; L309-L318 HydrophobicContact CD2-CB 3.74Å; L309-L318 HydrophobicContact CD2-CD1 3.81Å; L309-L318 HydrophobicContact CD2-CG 4.43Å; L309-H319 HydrophobicContact CD1-CB 3.94Å; L309-I357 HydrophobicContact CD2-CD1 4.17Å; L309-I357 HydrophobicContact CD2-CG1 4.09Å; L309-I357 HydrophobicContact CD2-CG2 3.81Å; L309-I357 HydrophobicContact CG-CD1 4Å; L309-I357 HydrophobicContact CG-CG1 4.19Å
310T94.9Very high95Very high47 Ų4724.1 Ų24.129%0.28812%0.124SC..Hα-helixtrans-59.8-48.6173.4-51.20000111.4L306 R307 A312 N313 F469 W473 H487L306-T310 PolarHBondContact O-N 3.11Å; L306-T310 PolarHBondContact O-OG1 2.98Å; R307-T310 WeakPolarHBondContact O-CB 3.26Å; R307-T310 PolarHBondContact O-N 3.4Å; T310-A312 PolarHBondContact O-N 2.97Å; T310-N313 PolarHBondContact O-N 3.43Å; T310-F469 HydrophobicContact CG2-CE1 3.91Å; T310-F469 HydrophobicContact CG2-CZ 4.28Å; T310-W473 VanDerWaalsContact O-CD1 3.22Å; T310-W473 PolarHBondContact O-NE1 3.15Å; T310-H487 WeakPolarHBondContact CA-CE1 3.43Å; T310-H487 PolarHBondContact O-CE1 2.89Å; T310-H487 PolarHBondContact O-NE2 3.45Å
311E94.8Very high95.1Very high5 Ų525 Ų252%0.02313%0.127CC..Hα-helixtrans-59.1-45.8177.2-174.572.6-130.400112.2R307 N313 F469 C470 F471 W473 L547R307-E311 WeakPolarHBondContact O-CB 3.46Å; R307-E311 PolarHBondContact O-N 3.34Å; E311-N313 PolarHBondContact O-N 3.36Å; E311-F469 HydrophobicContact CB-CD1 4.22Å; E311-F469 WeakPolarHBondContact OE2-CA 3.45Å; E311-F469 WeakPolarHBondContact OE2-CB 3.48Å; E311-F469 WeakPolarHBondContact OE2-CD1 3.38Å; E311-C470 VanDerWaalsContact OE1-CA 3.29Å; E311-C470 WeakPolarHBondContact OE1-CA 3.43Å; E311-C470 WeakPolarHBondContact OE1-CB 3.35Å; E311-C470 PolarHBondContact OE1-N 2.85Å; E311-C470 PolarHBondContact OE2-N 3.02Å; E311-C470 VanDerWaalsContact OE2-N 3.17Å; E311-F471 HydrophobicContact CG-CD2 4.33Å; E311-F471 WeakPolarHBondContact O-CD2 3.45Å; E311-F471 VanDerWaalsContact OE1-CD2 3.26Å; E311-F471 WeakPolarHBondContact OE1-CD2 3.47Å; E311-F471 PolarHBondContact OE1-N 3.31Å; E311-W473 PolarHBondContact O-NE1 3.45Å; E311-L547 HydrophobicContact CB-CD1 4.41Å; E311-L547 HydrophobicContact CG-CD1 3.69Å; E311-L547 HydrophobicContact CG-CD2 3.38Å; E311-L547 HydrophobicContact CG-CG 4.11Å
312A96.8Very high95.2Very high0 Ų024.9 Ų24.90%013%0.126CC..THydrogen-bonded Turntrans-81.813-178.400000113.8Y308 L309 T310 L314 W397 M401 L543 F544 L547Y308-A312 WeakPolarHBondContact O-CB 3.2Å; Y308-A312 PolarHBondContact O-N 3.44Å; L309-A312 CarbonylContact O-C 3.59Å; L309-A312 PolarHBondContact O-N 2.93Å; T310-A312 PolarHBondContact O-N 2.97Å; A312-L314 HydrophobicContact CB-CD1 3.96Å; A312-L314 HydrophobicContact CB-CG 4.15Å; A312-L314 PolarHBondContact O-N 3.28Å; A312-L314 VanDerWaalsContact O-N 3.13Å; A312-W397 PolarHBondContact O-NE1 3.12Å; A312-M401 WeakPolarHBondContact O-CE 3.29Å; A312-L543 HydrophobicContact CB-CD2 4.3Å; A312-F544 HydrophobicContact CB-CE1 4.42Å; A312-F544 HydrophobicContact CB-CZ 4.12Å; A312-L547 HydrophobicContact CB-CD1 4.46Å
313N96.1Very high95.2Very high0 Ų026.3 Ų26.30%014%0.136CC..THydrogen-bonded Turntrans50.536.1-179.1-150.97.3000113.7L309 T310 E311 W397 M401 W473 P484 L486 H487L309-N313 PolarHBondContact O-N 3.24Å; T310-N313 PolarHBondContact O-N 3.43Å; E311-N313 PolarHBondContact O-N 3.36Å; N313-W397 PolarHBondContact O-NE1 3.12Å; N313-M401 HydrophobicContact CB-CE 3.31Å; N313-W473 HydrophobicContact CB-CD2 3.8Å; N313-W473 HydrophobicContact CB-CE3 4.27Å; N313-W473 HydrophobicContact CB-CG 4.23Å; N313-W473 HydrophobicContact CB-CH2 4.23Å; N313-W473 HydrophobicContact CB-CZ2 3.78Å; N313-W473 HydrophobicContact CB-CZ3 4.45Å; N313-W473 VanDerWaalsContact ND2-CE3 3.29Å; N313-P484 PolarHBondContact ND2-O 3.48Å; N313-L486 WeakPolarHBondContact O-CB 3.27Å; N313-L486 WeakPolarHBondContact OD1-CB 3.25Å; N313-L486 PolarHBondContact OD1-N 3.49Å; N313-H487 VanDerWaalsContact CA-CE1 3.45Å; N313-H487 WeakPolarHBondContact CA-CE1 3.36Å
314L96.8Very high95.2Very high0 Ų027.9 Ų27.90%014%0.139CC..  trans-97.6153.9-176.9-80.4172.9000110.7L309 A312 L318 I357 M361 F392 W397 H487L309-L314 HydrophobicContact CB-CB 4.44Å; L309-L314 HydrophobicContact CD2-CB 3.68Å; L309-L314 HydrophobicContact CD2-CD1 3.87Å; L309-L314 HydrophobicContact CD2-CG 4.44Å; L309-L314 PolarHBondContact O-N 3.44Å; A312-L314 HydrophobicContact CB-CD1 3.96Å; A312-L314 HydrophobicContact CB-CG 4.15Å; A312-L314 PolarHBondContact O-N 3.28Å; A312-L314 VanDerWaalsContact O-N 3.13Å; L314-L318 HydrophobicContact CB-CD1 3.8Å; L314-L318 HydrophobicContact CD1-CD1 4.22Å; L314-L318 HydrophobicContact CD2-CD1 3.95Å; L314-L318 HydrophobicContact CG-CD1 4.21Å; L314-I357 HydrophobicContact CD1-CG2 3.74Å; L314-M361 HydrophobicContact CD1-CG 4.44Å; L314-M361 HydrophobicContact CD1-SD 4.25Å; L314-M361 HydrophobicContact CD2-CE 3.71Å; L314-M361 HydrophobicContact CD2-SD 3.78Å; L314-F392 HydrophobicContact CD2-CZ 4.03Å; L314-W397 HydrophobicContact CD1-CZ2 4.22Å; L314-W397 HydrophobicContact CD2-CD2 4.02Å; L314-W397 VanDerWaalsContact CD2-CE2 3.41Å; L314-W397 HydrophobicContact CD2-CG 4.46Å; L314-W397 HydrophobicContact CD2-CH2 4.12Å; L314-W397 HydrophobicContact CD2-CZ2 3.5Å; L314-W397 HydrophobicContact CG-CZ2 3.82Å; L314-H487 PolarHBondContact O-ND1 3.3Å
315P95.3Very high95.2Very high0 Ų027.7 Ų27.70%014%0.138CC..  trans-57.6139.7175.5-30.938.2000114.1E317 L318 F392 L489 L491P315-E317 PolarHBondContact O-N 3.3Å; P315-L318 WeakPolarHBondContact O-CB 3.36Å; P315-L318 PolarHBondContact O-N 3.17Å; P315-F392 VanDerWaalsContact CD-CE2 3.41Å; P315-F392 HydrophobicContact CG-CB 3.94Å; P315-F392 HydrophobicContact CG-CD1 4.21Å; P315-F392 HydrophobicContact CG-CD2 3.18Å; P315-F392 HydrophobicContact CG-CE2 3.62Å; P315-F392 HydrophobicContact CG-CG 3.51Å; P315-F392 HydrophobicContact CG-CZ 4.27Å; P315-L489 WeakPolarHBondContact CB-O 3.19Å; P315-L489 HydrophobicContact CG-CB 4.5Å; P315-L491 HydrophobicContact CB-CD2 4.28Å; P315-L491 HydrophobicContact CB-CG 4.49Å; P315-L491 HydrophobicContact CG-CD2 4.19Å
316D93.1Very high95Very high79 Ų7928 Ų2842%0.42214%0.139SC..THydrogen-bonded Turntrans-66-28.9179.2-67.5-22.8000112.2L318 H319 H487D316-L318 PolarHBondContact O-N 2.92Å; D316-H319 VanDerWaalsContact O-CB 3.29Å; D316-H319 WeakPolarHBondContact O-CB 3.24Å; D316-H319 PolarHBondContact O-N 3.32Å; D316-H487 PolarHBondContact N-O 3.4Å
317E93.3Very high94.8Very high77 Ų7730.7 Ų30.736%0.3615%0.15SC..THydrogen-bonded Turntrans-58.9-19.1176.1-67.4-175.6-179.500113.5P315 H319 D320 T490 L491P315-E317 PolarHBondContact O-N 3.3Å; E317-H319 PolarHBondContact O-N 3.15Å; E317-D320 PolarHBondContact O-N 3.09Å; E317-T490 WeakPolarHBondContact OE1-CG2 3.06Å; E317-L491 HydrophobicContact CB-CD1 3.67Å; E317-L491 HydrophobicContact CB-CG 3.98Å; E317-L491 WeakPolarHBondContact OE2-CB 3.17Å; E317-L491 PolarHBondContact OE2-N 3.48Å
318L95.4Very high94.7Very high0 Ų034.7 Ų34.70%017%0.168CC..Hα-helixtrans-63.4-24.8173.2-77.5164.4000112.6L309 L314 P315 D316 D320 W321 V322 A360 M361 L364 L491L309-L318 HydrophobicContact CD1-CB 4.07Å; L309-L318 HydrophobicContact CD2-CB 3.74Å; L309-L318 HydrophobicContact CD2-CD1 3.81Å; L309-L318 HydrophobicContact CD2-CG 4.43Å; L314-L318 HydrophobicContact CB-CD1 3.8Å; L314-L318 HydrophobicContact CD1-CD1 4.22Å; L314-L318 HydrophobicContact CD2-CD1 3.95Å; L314-L318 HydrophobicContact CG-CD1 4.21Å; P315-L318 WeakPolarHBondContact O-CB 3.36Å; P315-L318 PolarHBondContact O-N 3.17Å; D316-L318 PolarHBondContact O-N 2.92Å; L318-D320 VanDerWaalsContact C-N 3.32Å; L318-D320 PolarHBondContact O-N 2.89Å; L318-W321 WeakPolarHBondContact O-CB 3.41Å; L318-W321 PolarHBondContact O-N 2.9Å; L318-W321 VanDerWaalsContact O-N 3.15Å; L318-V322 PolarHBondContact O-N 3.38Å; L318-A360 HydrophobicContact CD2-CB 4.43Å; L318-M361 HydrophobicContact CD1-SD 3.65Å; L318-M361 HydrophobicContact CD2-SD 3.97Å; L318-M361 HydrophobicContact CG-SD 4.5Å; L318-L364 HydrophobicContact CD2-CD1 3.4Å; L318-L364 VanDerWaalsContact CD2-CD1 3.4Å; L318-L491 HydrophobicContact CD2-CD1 4.08Å; L318-L491 HydrophobicContact CG-CD1 4.05Å; L318-L491 HydrophobicContact CG-CD2 4.45Å
319H95.5Very high94.4Very high30 Ų3034.9 Ų34.914%0.13917%0.171CC..Hα-helixtrans-63.5-37.5-179.1-173.758.8000112.3S302 T305 L306 L309 D316 E317 W321 V322 C323S302-H319 PolarHBondContact O-CE1 2.81Å; T305-H319 PolarHBondContact OG1-CE1 3.4Å; T305-H319 PolarHBondContact OG1-ND1 3.23Å; L306-H319 HydrophobicContact CD2-CB 3.72Å; L309-H319 HydrophobicContact CD1-CB 3.94Å; D316-H319 VanDerWaalsContact O-CB 3.29Å; D316-H319 WeakPolarHBondContact O-CB 3.24Å; D316-H319 PolarHBondContact O-N 3.32Å; E317-H319 PolarHBondContact O-N 3.15Å; H319-W321 PolarHBondContact O-N 3.26Å; H319-V322 WeakPolarHBondContact O-CB 3.3Å; H319-V322 PolarHBondContact O-N 3.03Å; H319-V322 VanDerWaalsContact O-N 3.12Å; H319-C323 PolarHBondContact O-N 3.33Å; H319-C323 PolarHBondContact O-SG 3.34Å
320D93.8Very high94Very high94 Ų9437 Ų3750%0.50319%0.194SC..Hα-helixtrans-60.4-37.4175.3-78.1-7000111.8E317 L318 R324E317-D320 PolarHBondContact O-N 3.09Å; L318-D320 VanDerWaalsContact C-N 3.32Å; L318-D320 PolarHBondContact O-N 2.89Å; D320-R324 VanDerWaalsContact O-CG 3.31Å; D320-R324 WeakPolarHBondContact O-CG 3.36Å; D320-R324 PolarHBondContact O-N 3.4Å; D320-R324 VanDerWaalsContact O-N 3.15Å
321W94.6Very high93.6Very high17 Ų1735.2 Ų35.26%0.06418%0.182CC..Hα-helixtrans-69-41.1175.7-67.896.5000111.8L318 H319 R324 I325 A360 L363 L364 V495 L502 P504L318-W321 WeakPolarHBondContact O-CB 3.41Å; L318-W321 PolarHBondContact O-N 2.9Å; L318-W321 VanDerWaalsContact O-N 3.15Å; H319-W321 PolarHBondContact O-N 3.26Å; W321-R324 PolarHBondContact O-N 2.85Å; W321-I325 WeakPolarHBondContact O-CD1 3.08Å; W321-I325 VanDerWaalsContact O-CG1 3.25Å; W321-I325 WeakPolarHBondContact O-CG1 3.29Å; W321-I325 PolarHBondContact O-N 2.89Å; W321-A360 HydrophobicContact CB-CB 4.2Å; W321-L363 HydrophobicContact CE3-CD2 3.8Å; W321-L363 HydrophobicContact CZ3-CD2 4.11Å; W321-L364 HydrophobicContact CD2-CD1 4.34Å; W321-L364 HydrophobicContact CD2-CD2 3.95Å; W321-L364 HydrophobicContact CD2-CG 4.4Å; W321-L364 HydrophobicContact CE3-CD2 4.33Å; W321-L364 HydrophobicContact CG-CD1 4.01Å; W321-L364 HydrophobicContact CG-CD2 4.48Å; W321-L364 HydrophobicContact CH2-CD2 4.17Å; W321-L364 HydrophobicContact CZ2-CD2 3.79Å; W321-L364 HydrophobicContact CZ3-CD2 4.43Å; W321-V495 HydrophobicContact CH2-CG1 4.46Å; W321-V495 HydrophobicContact CZ2-CB 4.44Å; W321-V495 HydrophobicContact CZ2-CG1 3.86Å; W321-V495 HydrophobicContact CZ2-CG2 3.62Å; W321-L502 HydrophobicContact CH2-CB 4.4Å; W321-L502 WeakPolarHBondContact CH2-O 3.41Å; W321-L502 HydrophobicContact CZ2-CB 4.13Å; W321-P504 HydrophobicContact CH2-CG 3.99Å; W321-P504 HydrophobicContact CZ3-CG 3.81Å
322V95.6Very high92.7Very high0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-57.2-49.3173.1165.20000110.9T305 L318 H319 R324 I325 M326 L356 I357 A360T305-V322 HydrophobicContact CG2-CG1 3.63Å; T305-V322 HydrophobicContact CG2-CG2 4.42Å; L318-V322 PolarHBondContact O-N 3.38Å; H319-V322 WeakPolarHBondContact O-CB 3.3Å; H319-V322 PolarHBondContact O-N 3.03Å; H319-V322 VanDerWaalsContact O-N 3.12Å; V322-R324 VanDerWaalsContact C-N 3.34Å; V322-R324 PolarHBondContact O-N 3.43Å; V322-I325 WeakPolarHBondContact O-CB 3.32Å; V322-I325 PolarHBondContact O-N 3.47Å; V322-I325 VanDerWaalsContact O-N 3.08Å; V322-M326 HydrophobicContact CG1-CG 4.3Å; V322-M326 HydrophobicContact CG1-SD 4Å; V322-M326 WeakPolarHBondContact O-CG 3.2Å; V322-M326 PolarHBondContact O-N 3.21Å; V322-L356 HydrophobicContact CG1-CB 3.99Å; V322-L356 HydrophobicContact CG1-CD1 4.31Å; V322-L356 HydrophobicContact CG2-CB 4.46Å; V322-I357 HydrophobicContact CG2-CG1 4.37Å; V322-A360 HydrophobicContact CG2-CB 4.01Å
323C94.1Very high91.8Very high39 Ų3943.7 Ų43.726%0.26423%0.23SC..Hα-helixtrans-57.1-46.4178.4-72.20000111.7H319 I325 M326 E327H319-C323 PolarHBondContact O-N 3.33Å; H319-C323 PolarHBondContact O-SG 3.34Å; C323-I325 VanDerWaalsContact C-N 3.31Å; C323-I325 PolarHBondContact O-N 3.39Å; C323-M326 WeakPolarHBondContact O-CB 3.41Å; C323-M326 PolarHBondContact O-N 3.49Å; C323-M326 VanDerWaalsContact O-N 3.16Å; C323-E327 WeakPolarHBondContact O-CG 3.16Å; C323-E327 PolarHBondContact O-N 3.32Å
324R93.1Very high91Very high82 Ų8246.4 Ų46.431%0.30925%0.249SC..Hα-helixtrans-61.7-36.4175.5-67.7171.8-168.4176.37.6113.1D320 W321 V322 K328 L502D320-R324 VanDerWaalsContact O-CG 3.31Å; D320-R324 WeakPolarHBondContact O-CG 3.36Å; D320-R324 PolarHBondContact O-N 3.4Å; D320-R324 VanDerWaalsContact O-N 3.15Å; W321-R324 PolarHBondContact O-N 2.85Å; V322-R324 VanDerWaalsContact C-N 3.34Å; V322-R324 PolarHBondContact O-N 3.43Å; R324-K328 WeakPolarHBondContact O-CB 3.49Å; R324-K328 WeakPolarHBondContact O-CG 3.42Å; R324-K328 PolarHBondContact O-N 3.29Å; R324-L502 PolarHBondContact NH1-O 3.39Å
325I94Very high90.3Very high1 Ų147.7 Ų47.71%0.00526%0.257CS..Hα-helixtrans-67.2-43.8175.6-69.8158.7000109.9W321 V322 C323 K328 A329 L356 I359 A360 L363 F566W321-I325 WeakPolarHBondContact O-CD1 3.08Å; W321-I325 VanDerWaalsContact O-CG1 3.25Å; W321-I325 WeakPolarHBondContact O-CG1 3.29Å; W321-I325 PolarHBondContact O-N 2.89Å; V322-I325 WeakPolarHBondContact O-CB 3.32Å; V322-I325 PolarHBondContact O-N 3.47Å; V322-I325 VanDerWaalsContact O-N 3.08Å; C323-I325 VanDerWaalsContact C-N 3.31Å; C323-I325 PolarHBondContact O-N 3.39Å; I325-K328 PolarHBondContact O-N 3.43Å; I325-A329 WeakPolarHBondContact O-CB 3.27Å; I325-A329 PolarHBondContact O-N 2.8Å; I325-L356 HydrophobicContact CG2-CD2 3.85Å; I325-I359 HydrophobicContact CD1-CB 4.45Å; I325-I359 HydrophobicContact CD1-CG2 3.9Å; I325-I359 HydrophobicContact CG1-CG2 4.39Å; I325-I359 HydrophobicContact CG2-CG2 4.06Å; I325-A360 HydrophobicContact CD1-CB 3.77Å; I325-L363 HydrophobicContact CD1-CD2 4.43Å; I325-F566 HydrophobicContact CB-CD2 4.41Å; I325-F566 HydrophobicContact CB-CE2 4.39Å; I325-F566 HydrophobicContact CG1-CD2 4.44Å; I325-F566 HydrophobicContact CG1-CE2 4Å; I325-F566 HydrophobicContact CG1-CZ 4.39Å; I325-F566 HydrophobicContact CG2-CD2 3.98Å; I325-F566 HydrophobicContact CG2-CE2 4.38Å; I325-F566 HydrophobicContact CG2-CG 4.39Å
326M93.1Very high89.9Confident7 Ų749 Ų493%0.03427%0.265CS..Hα-helixtrans-61.3-46.7178.7-71.2-17965.600112.2P301 V322 C323 A329 G330 M331 L356P301-M326 HydrophobicContact CB-CE 4.44Å; V322-M326 HydrophobicContact CG1-CG 4.3Å; V322-M326 HydrophobicContact CG1-SD 4Å; V322-M326 WeakPolarHBondContact O-CG 3.2Å; V322-M326 PolarHBondContact O-N 3.21Å; C323-M326 WeakPolarHBondContact O-CB 3.41Å; C323-M326 PolarHBondContact O-N 3.49Å; C323-M326 VanDerWaalsContact O-N 3.16Å; M326-A329 CarbonylContact O-C 3.55Å; M326-A329 PolarHBondContact O-N 3.3Å; M326-G330 PolarHBondContact O-N 3.46Å; M326-G330 VanDerWaalsContact O-N 3.09Å; M326-M331 HydrophobicContact CB-CB 4.39Å; M326-M331 PolarHBondContact O-N 3.19Å; M326-L356 HydrophobicContact CE-CD1 4.39Å; M326-L356 HydrophobicContact CG-CD1 3.57Å; M326-L356 HydrophobicContact CG-CD2 3.57Å; M326-L356 HydrophobicContact CG-CG 4.21Å; M326-L356 HydrophobicContact SD-CD1 3.64Å
327E92.3Very high89.8Confident118 Ų11845.3 Ų45.355%0.55125%0.245SC*.Hα-helixtrans-56.4-52.6175.3-71.7171.8-178.500110.6C323 A329 G330 E332C323-E327 WeakPolarHBondContact O-CG 3.16Å; C323-E327 PolarHBondContact O-N 3.32Å; E327-A329 VanDerWaalsContact C-N 3.29Å; E327-A329 PolarHBondContact O-N 3.35Å; E327-G330 PolarHBondContact O-N 3.32Å; E327-E332 WeakPolarHBondContact CA-OE2 3.34Å
328K91.7Very high89.6Confident126 Ų12644.3 Ų44.355%0.54824%0.24SC..Hα-helixtrans-63.6-32.7179.5-75.4179.2176.9179.90113.5R324 I325 G330 F566 S569R324-K328 WeakPolarHBondContact O-CB 3.49Å; R324-K328 WeakPolarHBondContact O-CG 3.42Å; R324-K328 PolarHBondContact O-N 3.29Å; I325-K328 PolarHBondContact O-N 3.43Å; K328-G330 VanDerWaalsContact C-N 3.26Å; K328-F566 HydrophobicContact CB-CD2 3.87Å; K328-F566 HydrophobicContact CB-CE2 4.05Å; K328-F566 HydrophobicContact CD-CD2 4.45Å; K328-F566 HydrophobicContact CD-CE2 3.8Å; K328-S569 WeakPolarHBondContact O-CB 3.46Å; K328-S569 PolarHBondContact O-OG 2.72Å; K328-S569 VanDerWaalsContact O-OG 3.08Å
329A91.5Very high89.3Confident10 Ų1044.7 Ų44.78%0.08324%0.243CC..THydrogen-bonded Turntrans-80-4.7176.900000113.4I325 M326 E327 M331 R565 F566I325-A329 WeakPolarHBondContact O-CB 3.27Å; I325-A329 PolarHBondContact O-N 2.8Å; M326-A329 CarbonylContact O-C 3.55Å; M326-A329 PolarHBondContact O-N 3.3Å; E327-A329 VanDerWaalsContact C-N 3.29Å; E327-A329 PolarHBondContact O-N 3.35Å; A329-M331 HydrophobicContact CB-CG 4.1Å; A329-M331 HydrophobicContact CB-SD 4.17Å; A329-R565 HydrophobicContact CB-CB 4.01Å; A329-F566 HydrophobicContact CB-CB 4.33Å
330G88.8Confident88.8Confident46 Ų4649 Ų4947%0.47427%0.265SS..THydrogen-bonded Turntrans66.436.9-177.200000112.9M326 E327 K328M326-G330 PolarHBondContact O-N 3.46Å; M326-G330 VanDerWaalsContact O-N 3.09Å; E327-G330 PolarHBondContact O-N 3.32Å; K328-G330 VanDerWaalsContact C-N 3.26Å
331M86.3Confident88.4Confident8 Ų852 Ų524%0.03927%0.269CS..  trans-106.315.1-178.4-67.3-177.657.200113.2M326 A329 V562M326-M331 HydrophobicContact CB-CB 4.39Å; M326-M331 PolarHBondContact O-N 3.19Å; A329-M331 HydrophobicContact CB-CG 4.1Å; A329-M331 HydrophobicContact CB-SD 4.17Å; M331-V562 HydrophobicContact SD-CG1 4.24Å; M331-V562 HydrophobicContact SD-CG2 4.15Å
332E75.2Confident86.9Confident108 Ų10857.3 Ų57.351%0.50531%0.309SS..  trans-79.4-17.2-179.366.3-151-179.700114.3E327E327-E332 WeakPolarHBondContact CA-OE2 3.34Å
333S78.5Confident85.4Confident75 Ų7568.3 Ų68.352%0.52435%0.35SS..SBendtrans-76.7152.8178.462.80000112V335S333-V335 PolarHBondContact O-N 3.24Å
334S79.3Confident84.4Confident58 Ų5867.4 Ų67.441%0.40634%0.344SS..  trans-50.3125.2174.460.80000111.9I293 T336I293-S334 VanDerWaalsContact O-CA 3.23Å; I293-S334 WeakPolarHBondContact O-CA 3.4Å; I293-S334 WeakPolarHBondContact O-CB 3.15Å; S334-T336 PolarHBondContact O-N 3.44Å
335V82.4Confident84Confident27 Ų2767.2 Ų67.216%0.16435%0.354CS..  trans-94.293.8179.2-177.20000107.8I293 S333 P347 Y349I293-V335 WeakPolarHBondContact CB-O 3.42Å; I293-V335 WeakPolarHBondContact CG1-O 3.47Å; I293-V335 PolarHBondContact O-N 2.9Å; S333-V335 PolarHBondContact O-N 3.24Å; V335-P347 HydrophobicContact CG1-CB 3.79Å; V335-P347 HydrophobicContact CG1-CG 3.75Å; V335-Y349 HydrophobicContact CB-CE1 3.87Å; V335-Y349 HydrophobicContact CG1-CD1 4.25Å; V335-Y349 HydrophobicContact CG1-CE1 3.57Å; V335-Y349 WeakPolarHBondContact O-CE1 3.29Å; V335-Y349 PolarHBondContact O-OH 3.36Å
336T86.9Confident83.8Confident27 Ų2767.2 Ų67.217%0.16635%0.354CS..  trans-105.9140.5-174.2-48.20000111.5L289 F290 P292 S334L289-T336 HydrophobicContact CD1-CG2 3.59Å; L289-T336 HydrophobicContact CG-CG2 4.19Å; F290-T336 HydrophobicContact CB-CG2 4.38Å; F290-T336 WeakPolarHBondContact O-CG2 3.39Å; P292-T336 WeakPolarHBondContact CA-OG1 3.43Å; S334-T336 PolarHBondContact O-N 3.44Å
337F90.6Very high83.8Confident2 Ų267.8 Ų67.81%0.00936%0.358CS..  trans-81.5120.9173179.3-138.7000111.3L217 L220 Q279 A282 F290 P339 L346L217-F337 HydrophobicContact CD2-CE1 3.96Å; L220-F337 HydrophobicContact CD2-CB 4.14Å; L220-F337 HydrophobicContact CD2-CD1 4.16Å; L220-F337 HydrophobicContact CD2-CG 4.49Å; Q279-F337 HydrophobicContact CG-CZ 4.48Å; A282-F337 HydrophobicContact CB-CE1 3.69Å; A282-F337 HydrophobicContact CB-CZ 3.9Å; F290-F337 HydrophobicContact CB-CB 4.34Å; F290-F337 HydrophobicContact CD1-CD1 4.35Å; F290-F337 AromaticContact CD2-CD1 3.79Å; F290-F337 HydrophobicContact CD2-CD1 3.79Å; F290-F337 HydrophobicContact CE1-CD1 4.25Å; F290-F337 AromaticContact CE2-CD1 3.71Å; F290-F337 HydrophobicContact CE2-CD1 3.71Å; F290-F337 HydrophobicContact CE2-CE1 4.06Å; F290-F337 HydrophobicContact CG-CB 4.28Å; F290-F337 HydrophobicContact CG-CD1 4.13Å; F290-F337 AromaticContact CZ-CD1 3.96Å; F290-F337 HydrophobicContact CZ-CD1 3.96Å; F290-F337 HydrophobicContact CZ-CE1 4.27Å; F290-F337 PolarHBondContact N-O 3.3Å; F337-P339 HydrophobicContact CD1-CG 4Å; F337-P339 HydrophobicContact CE1-CB 4.28Å; F337-P339 HydrophobicContact CE1-CG 3.64Å; F337-P339 HydrophobicContact CE2-CG 4.41Å; F337-P339 HydrophobicContact CZ-CB 4.03Å; F337-P339 HydrophobicContact CZ-CG 3.86Å; F337-P339 WeakPolarHBondContact O-CD 3.34Å; F337-L346 HydrophobicContact CB-CD1 4.06Å; F337-L346 HydrophobicContact CD1-CD1 3.6Å; F337-L346 HydrophobicContact CD2-CB 3.96Å; F337-L346 HydrophobicContact CD2-CD1 3.8Å; F337-L346 HydrophobicContact CE1-CD1 3.89Å; F337-L346 HydrophobicContact CE2-CB 3.66Å; F337-L346 HydrophobicContact CE2-CD1 4.1Å; F337-L346 HydrophobicContact CE2-CG 4.5Å; F337-L346 HydrophobicContact CG-CD1 3.54Å; F337-L346 HydrophobicContact CZ-CB 4Å; F337-L346 HydrophobicContact CZ-CD1 4.14Å
338E90.1Very high83.8Confident56 Ų5664.4 Ų64.426%0.26234%0.342SS..  trans-115.393.1175.7-34.1-165.8142.100110L289 M340 R341 S344L289-E338 HydrophobicContact CD1-CB 4Å; L289-E338 HydrophobicContact CD1-CG 3.42Å; L289-E338 VanDerWaalsContact CD1-CG 3.42Å; E338-M340 VanDerWaalsContact C-N 3.34Å; E338-M340 PolarHBondContact O-N 2.99Å; E338-R341 HydrophobicContact CB-CB 4.09Å; E338-R341 PolarHBondContact O-N 3.49Å; E338-R341 IonicContact OE1-NH1 2.99Å; E338-R341 WeakPolarHBondContact OE2-CD 3.27Å; E338-R341 IonicContact OE2-CZ 3.95Å; E338-R341 IonicContact OE2-NE 2.84Å; E338-R341 IonicContact OE2-NH1 3.72Å; E338-R341 PolarHBondContact OE2-NH1 2.9Å; E338-S344 WeakPolarHBondContact CB-OG 3.38Å; E338-S344 PolarHBondContact N-OG 3.23Å; E338-S344 PolarHBondContact O-OG 2.99Å
339P87.4Confident83.9Confident8 Ų859.1 Ų59.15%0.05232%0.319CS..THydrogen-bonded Turntrans-59.8-40.9-173.6-22.629.9000113.6A282 L287 F290 F337 R341A282-P339 HydrophobicContact CB-CB 3.95Å; A282-P339 HydrophobicContact CB-CG 4.06Å; L287-P339 HydrophobicContact CB-CG 4.12Å; F290-P339 HydrophobicContact CD2-CG 4.09Å; F290-P339 HydrophobicContact CE2-CG 3.87Å; F337-P339 HydrophobicContact CD1-CG 4Å; F337-P339 HydrophobicContact CE1-CB 4.28Å; F337-P339 HydrophobicContact CE1-CG 3.64Å; F337-P339 HydrophobicContact CE2-CG 4.41Å; F337-P339 HydrophobicContact CZ-CB 4.03Å; F337-P339 HydrophobicContact CZ-CG 3.86Å; F337-P339 WeakPolarHBondContact O-CD 3.34Å; P339-R341 VanDerWaalsContact C-N 3.29Å; P339-R341 PolarHBondContact O-N 2.8Å
340M86.6Confident84.1Confident121 Ų12158.8 Ų58.860%0.59632%0.316SS*.THydrogen-bonded Turntrans-79.1-10.9-172.5-60.2-53.6-69.300113.7E286 E338 S342E286-M340 HydrophobicContact CB-SD 4.35Å; E286-M340 HydrophobicContact CG-CE 4.31Å; E338-M340 VanDerWaalsContact C-N 3.34Å; E338-M340 PolarHBondContact O-N 2.99Å; M340-S342 PolarHBondContact O-N 3.18Å
341R83.8Confident84.5Confident156 Ų15656.9 Ų56.959%0.58929%0.294SS*.SBendtrans-89.8105.9178.9-173.3175.1-174.9176.21.1109E338 P339 R343 S344E338-R341 HydrophobicContact CB-CB 4.09Å; E338-R341 PolarHBondContact O-N 3.49Å; E338-R341 IonicContact OE1-NH1 2.99Å; E338-R341 WeakPolarHBondContact OE2-CD 3.27Å; E338-R341 IonicContact OE2-CZ 3.95Å; E338-R341 IonicContact OE2-NE 2.84Å; E338-R341 IonicContact OE2-NH1 3.72Å; E338-R341 PolarHBondContact OE2-NH1 2.9Å; P339-R341 VanDerWaalsContact C-N 3.29Å; P339-R341 PolarHBondContact O-N 2.8Å; R341-R343 PolarHBondContact O-N 3.33Å; R341-S344 PolarHBondContact O-N 3.41Å
342S62.9Low85Confident129 Ų12957.3 Ų57.390%0.90230%0.297SS*.THydrogen-bonded Turntrans-49.2-17.2-175.6170.70000116.6M340M340-S342 PolarHBondContact O-N 3.18Å
343R64.4Low86Confident230 Ų23052.2 Ų52.287%0.86827%0.273SS*.THydrogen-bonded Turntrans-107.34.4178.3-62.4-172.6-178.3-174.81.6114.8R341 P345R341-R343 PolarHBondContact O-N 3.33Å; R343-P345 WeakPolarHBondContact O-CD 3.29Å
344S73.6Confident86.9Confident20 Ų2048.6 Ų48.614%0.1425%0.248CC..  trans-106.589.1-179.9142.80000108.4E338 R341E338-S344 WeakPolarHBondContact CB-OG 3.38Å; E338-S344 PolarHBondContact N-OG 3.23Å; E338-S344 PolarHBondContact O-OG 2.99Å; R341-S344 PolarHBondContact O-N 3.41Å
345P84.8Confident87.8Confident79 Ų7945.9 Ų45.951%0.51323%0.228SC..PPolyproline II helixtrans-66.2155.2168.930.8-34000109.7R343 P347R343-P345 WeakPolarHBondContact O-CD 3.29Å; P345-P347 WeakPolarHBondContact O-CD 3.4Å
346L90.6Very high88.5Confident1 Ų144.6 Ų44.61%0.00522%0.221CC..PPolyproline II helixtrans-54.3126.9167.9176.965000108.7L220 H275 A278 Q279 F337L220-L346 HydrophobicContact CD2-CD1 3.53Å; H275-L346 PolarHBondContact CE1-O 2.95Å; H275-L346 WeakPolarHBondContact NE2-CB 3.36Å; H275-L346 VanDerWaalsContact NE2-CG 3.33Å; H275-L346 WeakPolarHBondContact NE2-CG 3.31Å; H275-L346 PolarHBondContact NE2-O 3.27Å; A278-L346 HydrophobicContact CB-CD2 4.04Å; Q279-L346 HydrophobicContact CB-CB 4.43Å; F337-L346 HydrophobicContact CB-CD1 4.06Å; F337-L346 HydrophobicContact CD1-CD1 3.6Å; F337-L346 HydrophobicContact CD2-CB 3.96Å; F337-L346 HydrophobicContact CD2-CD1 3.8Å; F337-L346 HydrophobicContact CE1-CD1 3.89Å; F337-L346 HydrophobicContact CE2-CB 3.66Å; F337-L346 HydrophobicContact CE2-CD1 4.1Å; F337-L346 HydrophobicContact CE2-CG 4.5Å; F337-L346 HydrophobicContact CG-CD1 3.54Å; F337-L346 HydrophobicContact CZ-CB 4Å; F337-L346 HydrophobicContact CZ-CD1 4.14Å
347P91.4Very high89.1Confident18 Ų1843.3 Ų43.312%0.11721%0.213CC..PPolyproline II helixtrans-71141.2179.2-21.534.4000112.3V335 P345 Y349V335-P347 HydrophobicContact CG1-CB 3.79Å; V335-P347 HydrophobicContact CG1-CG 3.75Å; P345-P347 WeakPolarHBondContact O-CD 3.4Å; P347-Y349 HydrophobicContact CB-CD1 4.27Å; P347-Y349 HydrophobicContact CB-CD2 4.38Å; P347-Y349 HydrophobicContact CB-CE1 3.9Å; P347-Y349 HydrophobicContact CB-CE2 4Å; P347-Y349 HydrophobicContact CG-CE1 4.29Å; P347-Y349 HydrophobicContact CG-CE2 4.39Å; P347-Y349 WeakPolarHBondContact O-CD2 3.32Å; P347-Y349 PolarHBondContact O-N 3.18Å
348H93.3Very high89.5Confident48 Ų4843.2 Ų43.222%0.22221%0.212CC..  trans-92.273.6173.2-54103.8000109.8Y271 H275 D350 V351 Q352Y271-H348 AromaticContact CE1-CD2 3.54Å; H275-H348 AromaticContact CD2-CD2 3.31Å; H275-H348 PolarHBondContact CD2-CD2 2.76Å; H275-H348 AromaticContact CD2-NE2 3.49Å; H275-H348 PolarHBondContact CD2-NE2 2.85Å; H275-H348 AromaticContact CE1-CD2 3.73Å; H275-H348 AromaticContact CE1-CE1 3.66Å; H275-H348 AromaticContact CE1-NE2 3.2Å; H275-H348 PolarHBondContact CE1-NE2 3.36Å; H275-H348 AromaticContact CG-CD2 3.8Å; H275-H348 AromaticContact CG-NE2 3.53Å; H275-H348 AromaticContact ND1-NE2 3.37Å; H275-H348 PolarHBondContact ND1-NE2 2.99Å; H275-H348 AromaticContact NE2-CD2 3.28Å; H275-H348 PolarHBondContact NE2-CD2 3.03Å; H275-H348 VanDerWaalsContact NE2-CD2 3.28Å; H275-H348 AromaticContact NE2-CE1 3.89Å; H275-H348 AromaticContact NE2-CG 3.97Å; H275-H348 AromaticContact NE2-NE2 3.3Å; H275-H348 PolarHBondContact NE2-NE2 2.73Å; H348-D350 VanDerWaalsContact C-N 3.3Å; H348-D350 PolarHBondContact O-N 2.86Å; H348-V351 HydrophobicContact CB-CB 3.88Å; H348-V351 HydrophobicContact CB-CG2 3.96Å; H348-V351 PolarHBondContact O-N 3.28Å; H348-Q352 WeakPolarHBondContact O-CB 3.34Å; H348-Q352 VanDerWaalsContact O-CG 3.3Å; H348-Q352 WeakPolarHBondContact O-CG 3.36Å; H348-Q352 PolarHBondContact O-N 3.34Å
349Y94.4Very high89.8Confident14 Ų1440.6 Ų40.66%0.05520%0.2CC..Hα-helixtrans-55.7-41.7-170.7-59.3-81000113.7L220 I293 L299 P301 V335 P347 Q352 A353L220-Y349 HydrophobicContact CD1-CD2 4.37Å; L220-Y349 HydrophobicContact CD1-CE2 3.54Å; L220-Y349 HydrophobicContact CD2-CE2 4.42Å; I293-Y349 HydrophobicContact CB-CE1 4.37Å; I293-Y349 HydrophobicContact CG1-CE1 4.15Å; I293-Y349 HydrophobicContact CG2-CE1 4.38Å; L299-Y349 WeakPolarHBondContact O-CB 3.48Å; P301-Y349 HydrophobicContact CG-CD1 4.31Å; V335-Y349 HydrophobicContact CB-CE1 3.87Å; V335-Y349 HydrophobicContact CG1-CD1 4.25Å; V335-Y349 HydrophobicContact CG1-CE1 3.57Å; V335-Y349 WeakPolarHBondContact O-CE1 3.29Å; V335-Y349 PolarHBondContact O-OH 3.36Å; P347-Y349 HydrophobicContact CB-CD1 4.27Å; P347-Y349 HydrophobicContact CB-CD2 4.38Å; P347-Y349 HydrophobicContact CB-CE1 3.9Å; P347-Y349 HydrophobicContact CB-CE2 4Å; P347-Y349 HydrophobicContact CG-CE1 4.29Å; P347-Y349 HydrophobicContact CG-CE2 4.39Å; P347-Y349 WeakPolarHBondContact O-CD2 3.32Å; P347-Y349 PolarHBondContact O-N 3.18Å; Y349-Q352 PolarHBondContact O-N 3.22Å; Y349-A353 WeakPolarHBondContact O-CB 3.45Å; Y349-A353 PolarHBondContact O-N 2.98Å
350D94.9Very high90.3Very high4 Ų440.2 Ų40.22%0.02120%0.198CC..Hα-helixtrans-68.1-44.6178.148.6-0.1000112.9T227 A229 Y271 Y308 H348 Q352 A353 A354 L548T227-D350 HydrophobicContact CG2-CB 4.23Å; A229-D350 WeakPolarHBondContact CB-OD2 3.47Å; A229-D350 PolarHBondContact N-OD2 2.85Å; Y271-D350 VanDerWaalsContact CE2-OD2 3.29Å; Y271-D350 WeakPolarHBondContact CE2-OD2 3.47Å; Y271-D350 PolarHBondContact OH-OD1 3.14Å; Y308-D350 HydrophobicContact CE2-CB 4.12Å; Y308-D350 WeakPolarHBondContact OH-CB 3.34Å; H348-D350 VanDerWaalsContact C-N 3.3Å; H348-D350 PolarHBondContact O-N 2.86Å; D350-Q352 VanDerWaalsContact C-N 3.32Å; D350-Q352 PolarHBondContact O-N 3.13Å; D350-A353 PolarHBondContact O-N 2.74Å; D350-A354 PolarHBondContact O-N 2.95Å; D350-L548 HydrophobicContact CB-CD2 3.89Å
351V96.9Very high90.8Very high5 Ų534.4 Ų34.43%0.0317%0.169CC..Hα-helixtrans-66.5-35.4175.6-170.90000111.3Y271 H348 A355 L548 V550 E558Y271-V351 HydrophobicContact CE1-CG2 4.18Å; H348-V351 HydrophobicContact CB-CB 3.88Å; H348-V351 HydrophobicContact CB-CG2 3.96Å; H348-V351 PolarHBondContact O-N 3.28Å; V351-A355 WeakPolarHBondContact O-CB 3.36Å; V351-A355 PolarHBondContact O-N 3.5Å; V351-L548 HydrophobicContact CB-CD1 4.46Å; V351-L548 HydrophobicContact CG2-CD1 4.15Å; V351-V550 HydrophobicContact CG2-CG1 4.49Å; V351-E558 HydrophobicContact CG1-CB 3.68Å; V351-E558 HydrophobicContact CG1-CG 4.01Å
352Q96.1Very high91.4Very high18 Ų1827.1 Ų27.18%0.08414%0.142CC..Hα-helixtrans-64.5-43.2174-76.2176.3-13.100111.9P301 H348 Y349 D350 A355 L356 E558P301-Q352 HydrophobicContact CB-CB 4.33Å; P301-Q352 HydrophobicContact CG-CB 4.21Å; H348-Q352 WeakPolarHBondContact O-CB 3.34Å; H348-Q352 VanDerWaalsContact O-CG 3.3Å; H348-Q352 WeakPolarHBondContact O-CG 3.36Å; H348-Q352 PolarHBondContact O-N 3.34Å; Y349-Q352 PolarHBondContact O-N 3.22Å; D350-Q352 VanDerWaalsContact C-N 3.32Å; D350-Q352 PolarHBondContact O-N 3.13Å; Q352-A355 PolarHBondContact O-N 3.35Å; Q352-L356 WeakPolarHBondContact O-CG 3.35Å; Q352-L356 PolarHBondContact O-N 3.07Å; Q352-E558 HydrophobicContact CG-CG 3.99Å; Q352-E558 WeakPolarHBondContact CG-OE1 3.49Å
353A96.9Very high92.9Very high0 Ų022.4 Ų22.40%011%0.106CC..Hα-helixtrans-60.6-47.1176.100000111.6L304 T305 Y308 Y349 D350 A355 L356 I357L304-A353 HydrophobicContact CB-CB 3.62Å; T305-A353 HydrophobicContact CG2-CB 3.95Å; T305-A353 WeakPolarHBondContact CG2-O 3.4Å; Y308-A353 HydrophobicContact CD2-CB 3.73Å; Y308-A353 HydrophobicContact CE2-CB 3.94Å; Y349-A353 WeakPolarHBondContact O-CB 3.45Å; Y349-A353 PolarHBondContact O-N 2.98Å; D350-A353 PolarHBondContact O-N 2.74Å; A353-A355 PolarHBondContact O-N 3.25Å; A353-L356 PolarHBondContact O-N 2.74Å; A353-I357 PolarHBondContact O-N 3.42Å
354A98.1Very high94.3Very high0 Ų011.5 Ų11.50%07%0.065CC..Hα-helixtrans-59.2-44.6174.200000112.3D350 L356 I357 I358 F544 L548D350-A354 PolarHBondContact O-N 2.95Å; A354-L356 VanDerWaalsContact C-N 3.3Å; A354-L356 PolarHBondContact O-N 3.13Å; A354-I357 PolarHBondContact O-N 3.28Å; A354-I358 VanDerWaalsContact O-CG1 3.27Å; A354-I358 WeakPolarHBondContact O-CG1 3.42Å; A354-I358 PolarHBondContact O-N 3.22Å; A354-F544 HydrophobicContact CB-CB 3.97Å; A354-F544 HydrophobicContact CB-CD1 3.58Å; A354-F544 HydrophobicContact CB-CE1 4.27Å; A354-F544 HydrophobicContact CB-CG 3.81Å; A354-L548 HydrophobicContact CB-CD1 3.84Å
355A98Very high95.3Very high0 Ų010.7 Ų10.70%06%0.059CC..Hα-helixtrans-59.9-39.2178.300000112.8V351 Q352 A353 I358 I359 E558 V559 V562V351-A355 WeakPolarHBondContact O-CB 3.36Å; V351-A355 PolarHBondContact O-N 3.5Å; Q352-A355 PolarHBondContact O-N 3.35Å; A353-A355 PolarHBondContact O-N 3.25Å; A355-I358 PolarHBondContact O-N 3.03Å; A355-I359 VanDerWaalsContact O-CG1 3.28Å; A355-I359 WeakPolarHBondContact O-CG1 3.41Å; A355-I359 PolarHBondContact O-N 2.8Å; A355-E558 HydrophobicContact CB-CB 4.13Å; A355-E558 HydrophobicContact CB-CG 4.05Å; A355-V559 HydrophobicContact CB-CG2 3.83Å; A355-V562 HydrophobicContact CB-CG2 4.29Å
356L97.8Very high95.7Very high0 Ų08.4 Ų8.40%04%0.041CC..Hα-helixtrans-64.1-44.2176.5-73164.5000112.2P301 T305 V322 I325 M326 Q352 A353 A354 I359 A360 V562P301-L356 HydrophobicContact CB-CD1 4.04Å; T305-L356 HydrophobicContact CG2-CB 4.13Å; T305-L356 HydrophobicContact CG2-CD1 4.31Å; V322-L356 HydrophobicContact CG1-CB 3.99Å; V322-L356 HydrophobicContact CG1-CD1 4.31Å; V322-L356 HydrophobicContact CG2-CB 4.46Å; I325-L356 HydrophobicContact CG2-CD2 3.85Å; M326-L356 HydrophobicContact CE-CD1 4.39Å; M326-L356 HydrophobicContact CG-CD1 3.57Å; M326-L356 HydrophobicContact CG-CD2 3.57Å; M326-L356 HydrophobicContact CG-CG 4.21Å; M326-L356 HydrophobicContact SD-CD1 3.64Å; Q352-L356 WeakPolarHBondContact O-CG 3.35Å; Q352-L356 PolarHBondContact O-N 3.07Å; A353-L356 PolarHBondContact O-N 2.74Å; A354-L356 VanDerWaalsContact C-N 3.3Å; A354-L356 PolarHBondContact O-N 3.13Å; L356-I359 PolarHBondContact O-N 3.35Å; L356-A360 PolarHBondContact O-N 3.28Å; L356-V562 HydrophobicContact CD2-CG1 3.93Å
357I98.4Very high96Very high1 Ų18.5 Ų8.51%0.0054%0.041CC..Hα-helixtrans-61.6-45.5176.1-64.4167.5000110.4T305 L309 L314 V322 A353 A354 I359 A360 M361 F544T305-I357 HydrophobicContact CG2-CD1 4.37Å; T305-I357 HydrophobicContact CG2-CG1 4.01Å; L309-I357 HydrophobicContact CD2-CD1 4.17Å; L309-I357 HydrophobicContact CD2-CG1 4.09Å; L309-I357 HydrophobicContact CD2-CG2 3.81Å; L309-I357 HydrophobicContact CG-CD1 4Å; L309-I357 HydrophobicContact CG-CG1 4.19Å; L314-I357 HydrophobicContact CD1-CG2 3.74Å; V322-I357 HydrophobicContact CG2-CG1 4.37Å; A353-I357 PolarHBondContact O-N 3.42Å; A354-I357 PolarHBondContact O-N 3.28Å; I357-I359 VanDerWaalsContact C-N 3.3Å; I357-I359 PolarHBondContact O-N 2.95Å; I357-A360 WeakPolarHBondContact O-CB 3.29Å; I357-A360 PolarHBondContact O-N 3.35Å; I357-A360 VanDerWaalsContact O-N 3.13Å; I357-M361 HydrophobicContact CG2-CG 4.32Å; I357-M361 WeakPolarHBondContact O-CG 3.4Å; I357-M361 PolarHBondContact O-N 2.83Å; I357-F544 HydrophobicContact CB-CE2 4.49Å; I357-F544 HydrophobicContact CB-CZ 4.04Å; I357-F544 HydrophobicContact CD1-CE1 4.1Å; I357-F544 HydrophobicContact CD1-CZ 4.04Å; I357-F544 HydrophobicContact CG2-CE2 4.08Å; I357-F544 HydrophobicContact CG2-CZ 3.68Å
358I98.3Very high96.1Very high0 Ų09.1 Ų9.10%04%0.044CC..Hα-helixtrans-59.8-42.2178.8-67.6172.3000111.2A354 A355 M361 K362 Y537 L540 L541 F544 V555 V559A354-I358 VanDerWaalsContact O-CG1 3.27Å; A354-I358 WeakPolarHBondContact O-CG1 3.42Å; A354-I358 PolarHBondContact O-N 3.22Å; A355-I358 PolarHBondContact O-N 3.03Å; I358-M361 PolarHBondContact O-N 3.14Å; I358-K362 WeakPolarHBondContact O-CG 3.34Å; I358-K362 PolarHBondContact O-N 2.82Å; I358-Y537 HydrophobicContact CG2-CD2 4.15Å; I358-Y537 HydrophobicContact CG2-CE2 3.57Å; I358-L540 HydrophobicContact CB-CD2 4.37Å; I358-L540 HydrophobicContact CG1-CD2 4.01Å; I358-L540 HydrophobicContact CG1-CG 4.02Å; I358-L540 HydrophobicContact CG2-CD2 4.24Å; I358-L541 HydrophobicContact CD1-CD2 3.9Å; I358-F544 HydrophobicContact CD1-CB 4.44Å; I358-F544 HydrophobicContact CD1-CD2 3.74Å; I358-F544 HydrophobicContact CD1-CE2 4.44Å; I358-F544 HydrophobicContact CD1-CG 4.35Å; I358-F544 HydrophobicContact CG1-CD2 3.66Å; I358-F544 HydrophobicContact CG1-CE2 3.86Å; I358-V555 HydrophobicContact CD1-CG1 3.46Å; I358-V555 VanDerWaalsContact CD1-CG1 3.46Å; I358-V559 HydrophobicContact CB-CG2 4.09Å; I358-V559 HydrophobicContact CD1-CG2 4.04Å; I358-V559 HydrophobicContact CG2-CG1 4.47Å; I358-V559 HydrophobicContact CG2-CG2 3.92Å
359I97.4Very high96.3Very high0 Ų09 Ų90%05%0.045CC..Hα-helixtrans-66.5-38.4177.1-67.9167.2000111.2I325 A355 L356 I357 K362 L363 V559 V562 E563I325-I359 HydrophobicContact CD1-CB 4.45Å; I325-I359 HydrophobicContact CD1-CG2 3.9Å; I325-I359 HydrophobicContact CG1-CG2 4.39Å; I325-I359 HydrophobicContact CG2-CG2 4.06Å; A355-I359 VanDerWaalsContact O-CG1 3.28Å; A355-I359 WeakPolarHBondContact O-CG1 3.41Å; A355-I359 PolarHBondContact O-N 2.8Å; L356-I359 PolarHBondContact O-N 3.35Å; I357-I359 VanDerWaalsContact C-N 3.3Å; I357-I359 PolarHBondContact O-N 2.95Å; I359-K362 PolarHBondContact O-N 3.19Å; I359-L363 WeakPolarHBondContact O-CB 3.2Å; I359-L363 PolarHBondContact O-N 3.13Å; I359-V559 HydrophobicContact CD1-CG1 4.36Å; I359-V559 HydrophobicContact CG1-CG1 4.01Å; I359-V562 HydrophobicContact CD1-CB 3.5Å; I359-V562 HydrophobicContact CD1-CG1 3.38Å; I359-E563 HydrophobicContact CD1-CG 3.88Å; I359-E563 HydrophobicContact CG1-CG 4.05Å
360A96.8Very high96.2Very high0 Ų014.4 Ų14.40%07%0.07CC..Hα-helixtrans-61.9-45173.900000111.6L318 W321 V322 I325 L356 I357 K362 L363 L364L318-A360 HydrophobicContact CD2-CB 4.43Å; W321-A360 HydrophobicContact CB-CB 4.2Å; V322-A360 HydrophobicContact CG2-CB 4.01Å; I325-A360 HydrophobicContact CD1-CB 3.77Å; L356-A360 PolarHBondContact O-N 3.28Å; I357-A360 WeakPolarHBondContact O-CB 3.29Å; I357-A360 PolarHBondContact O-N 3.35Å; I357-A360 VanDerWaalsContact O-N 3.13Å; A360-K362 PolarHBondContact O-N 3.32Å; A360-L363 WeakPolarHBondContact O-CB 3.32Å; A360-L363 PolarHBondContact O-N 3.49Å; A360-L363 VanDerWaalsContact O-N 3.14Å; A360-L364 PolarHBondContact O-N 3.18Å
361M97.3Very high96.1Very high0 Ų015.4 Ų15.40%08%0.077CC..Hα-helixtrans-61.2-43.4175.3-68.6-64.6-71.700111.8L314 L318 I357 I358 L363 L364 F365 L367 L394 W397 L540L314-M361 HydrophobicContact CD1-CG 4.44Å; L314-M361 HydrophobicContact CD1-SD 4.25Å; L314-M361 HydrophobicContact CD2-CE 3.71Å; L314-M361 HydrophobicContact CD2-SD 3.78Å; L318-M361 HydrophobicContact CD1-SD 3.65Å; L318-M361 HydrophobicContact CD2-SD 3.97Å; L318-M361 HydrophobicContact CG-SD 4.5Å; I357-M361 HydrophobicContact CG2-CG 4.32Å; I357-M361 WeakPolarHBondContact O-CG 3.4Å; I357-M361 PolarHBondContact O-N 2.83Å; I358-M361 PolarHBondContact O-N 3.14Å; M361-L363 VanDerWaalsContact C-N 3.33Å; M361-L363 PolarHBondContact O-N 2.89Å; M361-L364 PolarHBondContact O-N 3.49Å; M361-F365 HydrophobicContact CE-CD2 3.9Å; M361-F365 HydrophobicContact CE-CE2 4.07Å; M361-F365 WeakPolarHBondContact O-CB 3.5Å; M361-F365 PolarHBondContact O-N 3.32Å; M361-F365 HydrophobicContact SD-CD2 4.03Å; M361-F365 HydrophobicContact SD-CE2 3.97Å; M361-L367 HydrophobicContact CB-CD1 3.99Å; M361-L394 HydrophobicContact CE-CD1 4.04Å; M361-W397 HydrophobicContact CE-CH2 4.18Å; M361-W397 HydrophobicContact CE-CZ3 4.1Å; M361-L540 HydrophobicContact CB-CD2 3.96Å; M361-L540 HydrophobicContact CG-CD2 4.23Å
362K96.1Very high96Very high2 Ų215.1 Ų15.11%0.0098%0.075CC..Hα-helixtrans-61.6-39.4172.8-75.1-175.563.4177.60112.7I358 I359 A360 L364 K366 L367 Y509 W510 Y537 E563I358-K362 WeakPolarHBondContact O-CG 3.34Å; I358-K362 PolarHBondContact O-N 2.82Å; I359-K362 PolarHBondContact O-N 3.19Å; A360-K362 PolarHBondContact O-N 3.32Å; K362-L364 VanDerWaalsContact C-N 3.33Å; K362-K366 WeakPolarHBondContact O-CA 3.49Å; K362-K366 PolarHBondContact O-N 3.09Å; K362-L367 HydrophobicContact CG-CB 4.42Å; K362-L367 HydrophobicContact CG-CD1 3.81Å; K362-L367 HydrophobicContact CG-CG 4.29Å; K362-Y509 HydrophobicContact CB-CE2 3.68Å; K362-W510 HydrophobicContact CD-CZ2 4.2Å; K362-W510 VanDerWaalsContact CE-O 3.3Å; K362-W510 WeakPolarHBondContact CE-O 3.12Å; K362-W510 PolarHBondContact NZ-O 2.9Å; K362-Y537 HydrophobicContact CD-CD2 3.92Å; K362-Y537 HydrophobicContact CD-CE2 3.72Å; K362-Y537 HydrophobicContact CG-CD2 4.24Å; K362-Y537 HydrophobicContact CG-CE2 4.44Å; K362-E563 IonicContact NZ-OE1 3.32Å; K362-E563 PolarHBondContact NZ-OE1 3.3Å
363L94.9Very high95.9Very high31 Ų3116.8 Ų16.816%0.1628%0.081CC..Hα-helixtrans-66.2-37.9-178.6-176.667.2000111.8W321 I325 I359 A360 M361 P504 Y509W321-L363 HydrophobicContact CE3-CD2 3.8Å; W321-L363 HydrophobicContact CZ3-CD2 4.11Å; I325-L363 HydrophobicContact CD1-CD2 4.43Å; I359-L363 WeakPolarHBondContact O-CB 3.2Å; I359-L363 PolarHBondContact O-N 3.13Å; A360-L363 WeakPolarHBondContact O-CB 3.32Å; A360-L363 PolarHBondContact O-N 3.49Å; A360-L363 VanDerWaalsContact O-N 3.14Å; M361-L363 VanDerWaalsContact C-N 3.33Å; M361-L363 PolarHBondContact O-N 2.89Å; L363-P504 HydrophobicContact CD1-CG 4.02Å; L363-P504 HydrophobicContact CD2-CG 4.2Å; L363-P504 HydrophobicContact CG-CG 3.75Å; L363-P504 WeakPolarHBondContact O-CB 3.18Å; L363-Y509 HydrophobicContact CB-CE2 4.49Å; L363-Y509 HydrophobicContact CD1-CD2 4.19Å
364L94.2Very high95.7Very high0 Ų021.3 Ų21.30%011%0.105CC..Hα-helixtrans-90.1-41.1-174.9-68.4172.6000113.7L318 W321 A360 M361 K362 L491 V495 P504L318-L364 HydrophobicContact CD2-CD1 3.4Å; L318-L364 VanDerWaalsContact CD2-CD1 3.4Å; W321-L364 HydrophobicContact CD2-CD1 4.34Å; W321-L364 HydrophobicContact CD2-CD2 3.95Å; W321-L364 HydrophobicContact CD2-CG 4.4Å; W321-L364 HydrophobicContact CE3-CD2 4.33Å; W321-L364 HydrophobicContact CG-CD1 4.01Å; W321-L364 HydrophobicContact CG-CD2 4.48Å; W321-L364 HydrophobicContact CH2-CD2 4.17Å; W321-L364 HydrophobicContact CZ2-CD2 3.79Å; W321-L364 HydrophobicContact CZ3-CD2 4.43Å; A360-L364 PolarHBondContact O-N 3.18Å; M361-L364 PolarHBondContact O-N 3.49Å; K362-L364 VanDerWaalsContact C-N 3.33Å; L364-L491 HydrophobicContact CD1-CD1 3.89Å; L364-V495 HydrophobicContact CD2-CG2 3.79Å; L364-P504 HydrophobicContact CD2-CB 4.35Å; L364-P504 HydrophobicContact CD2-CG 4.5Å
365F94.7Very high95.4Very high4 Ų422.2 Ų22.22%0.01811%0.11CC..Hα-helixtrans-109-2.1-173.2-59.6-76.7000113.4M361 L367 E372 L375 F392 L394 L491M361-F365 HydrophobicContact CE-CD2 3.9Å; M361-F365 HydrophobicContact CE-CE2 4.07Å; M361-F365 WeakPolarHBondContact O-CB 3.5Å; M361-F365 PolarHBondContact O-N 3.32Å; M361-F365 HydrophobicContact SD-CD2 4.03Å; M361-F365 HydrophobicContact SD-CE2 3.97Å; F365-L367 HydrophobicContact CB-CD2 4Å; F365-L367 PolarHBondContact O-N 2.89Å; F365-E372 HydrophobicContact CB-CB 4.15Å; F365-E372 WeakPolarHBondContact O-CA 3.43Å; F365-E372 WeakPolarHBondContact O-CB 3.37Å; F365-E372 PolarHBondContact O-N 3.5Å; F365-L375 HydrophobicContact CD1-CD1 4.23Å; F365-F392 HydrophobicContact CE1-CD1 4.12Å; F365-F392 HydrophobicContact CE1-CE1 4.37Å; F365-F392 HydrophobicContact CE2-CD1 4.37Å; F365-F392 HydrophobicContact CE2-CE1 4.19Å; F365-F392 AromaticContact CZ-CD1 3.57Å; F365-F392 HydrophobicContact CZ-CD1 3.57Å; F365-F392 AromaticContact CZ-CE1 3.78Å; F365-F392 HydrophobicContact CZ-CE1 3.78Å; F365-L394 HydrophobicContact CB-CD1 3.62Å; F365-L394 HydrophobicContact CD1-CB 4.31Å; F365-L394 HydrophobicContact CD1-CD1 3.72Å; F365-L394 HydrophobicContact CD2-CD1 3.84Å; F365-L394 HydrophobicContact CE1-CB 4.4Å; F365-L394 HydrophobicContact CE1-CD1 4.36Å; F365-L394 HydrophobicContact CE2-CD1 4.47Å; F365-L394 HydrophobicContact CG-CD1 3.42Å; F365-L394 VanDerWaalsContact CG-CD1 3.42Å; F365-L491 HydrophobicContact CE2-CD2 4.38Å; F365-L491 HydrophobicContact CZ-CD2 3.98Å
366K93.9Very high95.1Very high30 Ų3022.3 Ų22.313%0.1311%0.11CC..  trans65.3-46.3-173.2-153.6178.8-178.4-158.60113.7K362 D368 T371 E508 W510K362-K366 WeakPolarHBondContact O-CA 3.49Å; K362-K366 PolarHBondContact O-N 3.09Å; K366-D368 HydrophobicContact CD-CB 4.24Å; K366-D368 WeakPolarHBondContact CD-OD2 3.28Å; K366-D368 WeakPolarHBondContact CE-OD2 3.18Å; K366-D368 HydrophobicContact CG-CB 4.16Å; K366-D368 IonicContact NZ-OD2 3.76Å; K366-D368 PolarHBondContact NZ-OD2 2.75Å; K366-T371 HydrophobicContact CB-CG2 4.12Å; K366-T371 HydrophobicContact CD-CG2 4.11Å; K366-T371 WeakPolarHBondContact CD-OG1 3.36Å; K366-E508 IonicContact NZ-OE2 3.43Å; K366-W510 PolarHBondContact O-NE1 2.65Å
367L95.6Very high94.8Very high3 Ų325.5 Ų25.52%0.01613%0.127CC..  trans58.449.6-175.8-49.8-176.6000111.9M361 K362 F365 E372 L394 W510 P534 L540M361-L367 HydrophobicContact CB-CD1 3.99Å; K362-L367 HydrophobicContact CG-CB 4.42Å; K362-L367 HydrophobicContact CG-CD1 3.81Å; K362-L367 HydrophobicContact CG-CG 4.29Å; F365-L367 HydrophobicContact CB-CD2 4Å; F365-L367 PolarHBondContact O-N 2.89Å; L367-E372 WeakPolarHBondContact CA-OE1 3.36Å; L367-E372 HydrophobicContact CD2-CB 4.5Å; L367-L394 HydrophobicContact CD2-CD1 4.04Å; L367-W510 WeakPolarHBondContact O-CZ2 3.4Å; L367-W510 PolarHBondContact O-NE1 3.36Å; L367-P534 VanDerWaalsContact O-CB 3.24Å; L367-P534 WeakPolarHBondContact O-CB 3.47Å; L367-P534 WeakPolarHBondContact O-CG 3.27Å; L367-L540 HydrophobicContact CD1-CD2 3.63Å
368D94.8Very high94.3Very high32 Ų3229.8 Ų29.817%0.17115%0.15CC..SBendtrans-109.819.4-17973.6-24000113.9K366 H370 T371 E372K366-D368 HydrophobicContact CD-CB 4.24Å; K366-D368 WeakPolarHBondContact CD-OD2 3.28Å; K366-D368 WeakPolarHBondContact CE-OD2 3.18Å; K366-D368 HydrophobicContact CG-CB 4.16Å; K366-D368 IonicContact NZ-OD2 3.76Å; K366-D368 PolarHBondContact NZ-OD2 2.75Å; D368-H370 PolarHBondContact O-CD2 3.44Å; D368-H370 PolarHBondContact O-N 2.83Å; D368-H370 PolarHBondContact OD1-N 2.93Å; D368-T371 WeakPolarHBondContact OD1-CB 3.32Å; D368-T371 PolarHBondContact OD1-N 3.02Å; D368-T371 PolarHBondContact OD1-OG1 2.99Å; D368-T371 PolarHBondContact OD2-OG1 3.32Å; D368-E372 PolarHBondContact N-OE1 2.9Å; D368-E372 PolarHBondContact N-OE2 2.78Å
369D95.9Very high93.9Very high44 Ų4429.8 Ų29.824%0.23515%0.15CC..SBendtrans61.613.6-173.1-61.3-30.4000114.7E372 W373 P534 R535 M536D369-E372 WeakPolarHBondContact CA-OE1 3.46Å; D369-E372 VanDerWaalsContact N-CD 3.27Å; D369-E372 PolarHBondContact N-OE1 3.26Å; D369-E372 PolarHBondContact N-OE2 3.45Å; D369-E372 VanDerWaalsContact N-OE2 3.16Å; D369-W373 VanDerWaalsContact C-CD1 3.49Å; D369-W373 PolarHBondContact O-NE1 3.5Å; D369-P534 VanDerWaalsContact OD2-CA 3.26Å; D369-P534 WeakPolarHBondContact OD2-CA 3.28Å; D369-R535 PolarHBondContact OD1-N 2.85Å; D369-R535 PolarHBondContact OD2-N 3.37Å; D369-M536 PolarHBondContact OD1-N 3.44Å
370H94Very high93.5Very high128 Ų12831.7 Ų31.759%0.59316%0.163SC*.SBendtrans-136.9-65.7-177.2-63.9-63000111.7D368 E372 W373 D374D368-H370 PolarHBondContact O-CD2 3.44Å; D368-H370 PolarHBondContact O-N 2.83Å; D368-H370 PolarHBondContact OD1-N 2.93Å; H370-E372 VanDerWaalsContact C-N 3.3Å; H370-E372 PolarHBondContact N-OE2 3.27Å; H370-E372 PolarHBondContact O-N 3.13Å; H370-W373 WeakPolarHBondContact O-CB 3.37Å; H370-W373 PolarHBondContact O-N 3.2Å; H370-D374 PolarHBondContact O-N 2.96Å
371T92.9Very high93.1Very high25 Ų2535.1 Ų35.115%0.15318%0.182CC..Hα-helixtrans-63.7-37.3-170.6-52.60000111.4K366 D368 W373 D374 L375K366-T371 HydrophobicContact CB-CG2 4.12Å; K366-T371 HydrophobicContact CD-CG2 4.11Å; K366-T371 WeakPolarHBondContact CD-OG1 3.36Å; D368-T371 WeakPolarHBondContact OD1-CB 3.32Å; D368-T371 PolarHBondContact OD1-N 3.02Å; D368-T371 PolarHBondContact OD1-OG1 2.99Å; D368-T371 PolarHBondContact OD2-OG1 3.32Å; T371-W373 PolarHBondContact O-N 3.12Å; T371-D374 PolarHBondContact O-N 3.3Å; T371-L375 HydrophobicContact CG2-CD1 4.12Å; T371-L375 HydrophobicContact CG2-CG 4.38Å; T371-L375 WeakPolarHBondContact O-CB 3.45Å; T371-L375 VanDerWaalsContact O-CG 3.29Å; T371-L375 WeakPolarHBondContact O-CG 3.33Å; T371-L375 PolarHBondContact O-N 3.27Å
372E94Very high92.5Very high0 Ų039.8 Ų39.80%020%0.202CC..Hα-helixtrans-61.7-30.3177.361.9-93.8-133.200112.7F365 L367 D368 D369 H370 S376 L394 M536F365-E372 HydrophobicContact CB-CB 4.15Å; F365-E372 WeakPolarHBondContact O-CA 3.43Å; F365-E372 WeakPolarHBondContact O-CB 3.37Å; F365-E372 PolarHBondContact O-N 3.5Å; L367-E372 WeakPolarHBondContact CA-OE1 3.36Å; L367-E372 HydrophobicContact CD2-CB 4.5Å; D368-E372 PolarHBondContact N-OE1 2.9Å; D368-E372 PolarHBondContact N-OE2 2.78Å; D369-E372 WeakPolarHBondContact CA-OE1 3.46Å; D369-E372 VanDerWaalsContact N-CD 3.27Å; D369-E372 PolarHBondContact N-OE1 3.26Å; D369-E372 PolarHBondContact N-OE2 3.45Å; D369-E372 VanDerWaalsContact N-OE2 3.16Å; H370-E372 VanDerWaalsContact C-N 3.3Å; H370-E372 PolarHBondContact N-OE2 3.27Å; H370-E372 PolarHBondContact O-N 3.13Å; E372-S376 WeakPolarHBondContact O-CB 3.48Å; E372-S376 PolarHBondContact O-N 2.92Å; E372-S376 VanDerWaalsContact O-N 3.08Å; E372-S376 PolarHBondContact O-OG 3.07Å; E372-L394 HydrophobicContact CB-CD1 4.15Å; E372-L394 HydrophobicContact CB-CD2 4.13Å; E372-L394 HydrophobicContact CG-CD2 4.3Å; E372-M536 HydrophobicContact CG-CG 4.43Å; E372-M536 WeakPolarHBondContact OE1-CB 3.33Å; E372-M536 WeakPolarHBondContact OE1-CG 3.45Å
373W94.5Very high92Very high53 Ų5341.9 Ų41.920%0.20121%0.213CC..Hα-helixtrans-81.8-38.1-179.9-55.4124.9000111.4D369 H370 T371 S376 N377 L394 R395 Y398 M536D369-W373 VanDerWaalsContact C-CD1 3.49Å; D369-W373 PolarHBondContact O-NE1 3.5Å; H370-W373 WeakPolarHBondContact O-CB 3.37Å; H370-W373 PolarHBondContact O-N 3.2Å; T371-W373 PolarHBondContact O-N 3.12Å; W373-S376 WeakPolarHBondContact O-CB 3.5Å; W373-S376 PolarHBondContact O-N 3.41Å; W373-N377 VanDerWaalsContact O-CG 3.25Å; W373-N377 PolarHBondContact O-N 3.39Å; W373-N377 PolarHBondContact O-ND2 2.9Å; W373-L394 HydrophobicContact CE3-CD2 4.41Å; W373-L394 HydrophobicContact CH2-CD2 4.43Å; W373-L394 HydrophobicContact CZ3-CD2 3.95Å; W373-R395 HydrophobicContact CE3-CB 4.01Å; W373-R395 HydrophobicContact CE3-CG 4.45Å; W373-R395 HydrophobicContact CZ3-CB 3.83Å; W373-R395 HydrophobicContact CZ3-CG 4.17Å; W373-Y398 HydrophobicContact CH2-CD1 4.24Å; W373-Y398 HydrophobicContact CH2-CG 4.44Å; W373-M536 HydrophobicContact CH2-CE 3.73Å; W373-M536 HydrophobicContact CH2-CG 3.93Å; W373-M536 HydrophobicContact CH2-SD 3.39Å; W373-M536 WeakPolarHBondContact CH2-SD 3.45Å; W373-M536 HydrophobicContact CZ2-CE 4.13Å; W373-M536 HydrophobicContact CZ2-CG 3.31Å; W373-M536 HydrophobicContact CZ2-SD 3.29Å; W373-M536 WeakPolarHBondContact CZ2-SD 3.36Å
374D92.4Very high91.7Very high94 Ų9447 Ų4750%0.50323%0.234SC..Hα-helixtrans-61.8-47.8172.3-66-25.3000110.4H370 T371 S376 N377 D378H370-D374 PolarHBondContact O-N 2.96Å; T371-D374 PolarHBondContact O-N 3.3Å; D374-S376 PolarHBondContact O-N 3.29Å; D374-N377 WeakPolarHBondContact O-CB 3.09Å; D374-N377 PolarHBondContact O-N 3.11Å; D374-D378 PolarHBondContact O-N 3.37Å
375L91Very high91.3Very high20 Ų2055 Ų5511%0.10527%0.272CS..Hα-helixtrans-59.3-34.2173.6-70.2172.5000112.6F365 T371 A379F365-L375 HydrophobicContact CD1-CD1 4.23Å; T371-L375 HydrophobicContact CG2-CD1 4.12Å; T371-L375 HydrophobicContact CG2-CG 4.38Å; T371-L375 WeakPolarHBondContact O-CB 3.45Å; T371-L375 VanDerWaalsContact O-CG 3.29Å; T371-L375 WeakPolarHBondContact O-CG 3.33Å; T371-L375 PolarHBondContact O-N 3.27Å; L375-A379 WeakPolarHBondContact O-CB 3.38Å; L375-A379 PolarHBondContact O-N 3.45Å
376S92.5Very high90.8Very high2 Ų258.8 Ų58.81%0.01429%0.292CS..Hα-helixtrans-70.6-33.6175.2-63.10000112.6E372 W373 D374 S380 N393 R395E372-S376 WeakPolarHBondContact O-CB 3.48Å; E372-S376 PolarHBondContact O-N 2.92Å; E372-S376 VanDerWaalsContact O-N 3.08Å; E372-S376 PolarHBondContact O-OG 3.07Å; W373-S376 WeakPolarHBondContact O-CB 3.5Å; W373-S376 PolarHBondContact O-N 3.41Å; D374-S376 PolarHBondContact O-N 3.29Å; S376-S380 WeakPolarHBondContact O-CB 3.43Å; S376-S380 PolarHBondContact O-N 3Å; S376-N393 PolarHBondContact O-ND2 3.03Å; S376-R395 PolarHBondContact OG-N 3.03Å; S376-R395 VanDerWaalsContact OG-N 3.15Å
377N91.8Very high89.9Confident66 Ų6662.3 Ų62.335%0.35332%0.318SS..Hα-helixtrans-68.8-46.6174.7-63.6-32000109.7W373 D374 A379 S380 D381W373-N377 VanDerWaalsContact O-CG 3.25Å; W373-N377 PolarHBondContact O-N 3.39Å; W373-N377 PolarHBondContact O-ND2 2.9Å; D374-N377 WeakPolarHBondContact O-CB 3.09Å; D374-N377 PolarHBondContact O-N 3.11Å; N377-A379 VanDerWaalsContact C-N 3.33Å; N377-A379 PolarHBondContact O-N 3.14Å; N377-S380 WeakPolarHBondContact O-CA 3.41Å; N377-S380 WeakPolarHBondContact O-CB 3.2Å; N377-S380 PolarHBondContact O-N 3.36Å; N377-D381 PolarHBondContact O-N 3.18Å
378D88.3Confident88.9Confident92 Ų9269.1 Ų69.149%0.49235%0.354SS..Hα-helixtrans-57.9-44.1175.8-69.1-9000111.9D374 S380 D381 K382D374-D378 PolarHBondContact O-N 3.37Å; D378-S380 VanDerWaalsContact C-N 3.33Å; D378-S380 PolarHBondContact O-N 2.84Å; D378-D381 PolarHBondContact O-N 3.47Å; D378-K382 WeakPolarHBondContact O-CG 3.19Å; D378-K382 PolarHBondContact O-N 3.01Å
379A89.4Confident87.7Confident0 Ų068.5 Ų68.50%036%0.356CS..Hα-helixtrans-63.4-39174.900000111.9L375 N377 D381 K382 N383L375-A379 WeakPolarHBondContact O-CB 3.38Å; L375-A379 PolarHBondContact O-N 3.45Å; N377-A379 VanDerWaalsContact C-N 3.33Å; N377-A379 PolarHBondContact O-N 3.14Å; A379-D381 VanDerWaalsContact C-N 3.32Å; A379-D381 PolarHBondContact O-N 2.78Å; A379-K382 PolarHBondContact O-N 2.73Å; A379-N383 WeakPolarHBondContact O-CB 3.1Å; A379-N383 VanDerWaalsContact O-CG 3.24Å; A379-N383 PolarHBondContact O-N 3.13Å; A379-N383 PolarHBondContact O-OD1 3.28Å
380S88.9Confident87.1Confident39 Ų3970.1 Ų70.127%0.27337%0.365SS..Hα-helixtrans-64.3-37.5176.3-174.20000112.2S376 N377 D378 K384S376-S380 WeakPolarHBondContact O-CB 3.43Å; S376-S380 PolarHBondContact O-N 3Å; N377-S380 WeakPolarHBondContact O-CA 3.41Å; N377-S380 WeakPolarHBondContact O-CB 3.2Å; N377-S380 PolarHBondContact O-N 3.36Å; D378-S380 VanDerWaalsContact C-N 3.33Å; D378-S380 PolarHBondContact O-N 2.84Å; S380-K384 WeakPolarHBondContact O-CG 3.39Å; S380-K384 PolarHBondContact O-N 2.68Å
381D87.6Confident86.9Confident73 Ų7364.5 Ų64.539%0.3934%0.339SS..Hα-helixtrans-73.2-40.2-179.7-69-22.8000111N377 D378 A379 N383 K384 E385N377-D381 PolarHBondContact O-N 3.18Å; D378-D381 PolarHBondContact O-N 3.47Å; A379-D381 VanDerWaalsContact C-N 3.32Å; A379-D381 PolarHBondContact O-N 2.78Å; D381-N383 VanDerWaalsContact C-N 3.35Å; D381-N383 PolarHBondContact O-N 3.35Å; D381-K384 WeakPolarHBondContact O-CB 3.47Å; D381-K384 PolarHBondContact O-N 2.88Å; D381-K384 VanDerWaalsContact O-N 3.12Å; D381-K384 IonicContact OD1-NZ 3.86Å; D381-K384 PolarHBondContact OD1-NZ 2.76Å; D381-E385 WeakPolarHBondContact O-CG 2.9Å; D381-E385 PolarHBondContact O-N 3.42Å
382K84.9Confident86.9Confident97 Ų9763.3 Ų63.342%0.42233%0.332SS..Hα-helixtrans-57.9-43.2170.8-73.8177.4176.4-179.80113.1D378 A379 K384 E385 N386D378-K382 WeakPolarHBondContact O-CG 3.19Å; D378-K382 PolarHBondContact O-N 3.01Å; A379-K382 PolarHBondContact O-N 2.73Å; K382-K384 VanDerWaalsContact C-N 3.27Å; K382-K384 PolarHBondContact O-N 3.28Å; K382-E385 PolarHBondContact O-N 2.95Å; K382-N386 PolarHBondContact O-N 3.16Å
383N86.8Confident86.9Confident46 Ų4664.1 Ų64.125%0.24634%0.337CS..Hα-helixtrans-69.8-23.8178.7-68.7-4.4000112.6A379 D381 N386 G389 S391A379-N383 WeakPolarHBondContact O-CB 3.1Å; A379-N383 VanDerWaalsContact O-CG 3.24Å; A379-N383 PolarHBondContact O-N 3.13Å; A379-N383 PolarHBondContact O-OD1 3.28Å; D381-N383 VanDerWaalsContact C-N 3.35Å; D381-N383 PolarHBondContact O-N 3.35Å; N383-N386 CarbonylContact O-C 3.35Å; N383-G389 PolarHBondContact OD1-O 3.06Å; N383-S391 PolarHBondContact ND2-O 3.13Å; N383-S391 WeakPolarHBondContact OD1-CB 3.32Å; N383-S391 PolarHBondContact OD1-N 2.85Å
384K87.3Confident86.9Confident140 Ų14061.7 Ų61.761%0.60933%0.327SS*.Hα-helixtrans-76-40171.2-69.7168-163.1154.30111.6S380 D381 K382S380-K384 WeakPolarHBondContact O-CG 3.39Å; S380-K384 PolarHBondContact O-N 2.68Å; D381-K384 WeakPolarHBondContact O-CB 3.47Å; D381-K384 PolarHBondContact O-N 2.88Å; D381-K384 VanDerWaalsContact O-N 3.12Å; D381-K384 IonicContact OD1-NZ 3.86Å; D381-K384 PolarHBondContact OD1-NZ 2.76Å; K382-K384 VanDerWaalsContact C-N 3.27Å; K382-K384 PolarHBondContact O-N 3.28Å
385E86Confident87Confident167 Ų16762.6 Ų62.678%0.7832%0.324SS*.Hα-helixtrans-70.5-34.6179.3-71.7178.7179.200112.1D381 K382D381-E385 WeakPolarHBondContact O-CG 2.9Å; D381-E385 PolarHBondContact O-N 3.42Å; K382-E385 PolarHBondContact O-N 2.95Å
386N83.9Confident87.2Confident84 Ų8467 Ų6745%0.44934%0.339SS..  trans-129.893.9175.8-175.116.9000110K382 N383 D388 G389K382-N386 PolarHBondContact O-N 3.16Å; N383-N386 CarbonylContact O-C 3.35Å; N386-D388 PolarHBondContact O-N 3.24Å; N386-D388 PolarHBondContact OD1-N 3.08Å; N386-G389 WeakPolarHBondContact O-CA 3.39Å; N386-G389 PolarHBondContact O-N 3.39Å
387P74.9Confident87.3Confident103 Ų10367 Ų6767%0.66934%0.339SS*.THydrogen-bonded Turntrans-62.5-25.3179.1-2334000113.9G389P387-G389 PolarHBondContact O-N 3Å
388D74.3Confident87.6Confident146 Ų14667.1 Ų67.178%0.78134%0.335SS*.THydrogen-bonded Turntrans-80.4-5.5173.8-59.6-32000111.8N386N386-D388 PolarHBondContact O-N 3.24Å; N386-D388 PolarHBondContact OD1-N 3.08Å
389G70.4Confident87.9Confident20 Ų2071 Ų7121%0.20634%0.342CS..  trans-78.6116.2176.200000111.5N383 N386 P387 S391N383-G389 PolarHBondContact OD1-O 3.06Å; N386-G389 WeakPolarHBondContact O-CA 3.39Å; N386-G389 PolarHBondContact O-N 3.39Å; P387-G389 PolarHBondContact O-N 3Å; G389-S391 VanDerWaalsContact C-N 3.28Å; G389-S391 PolarHBondContact O-N 3.23Å
390N83.4Confident88.2Confident78 Ų7871.8 Ų71.842%0.41735%0.347SS..  trans-89.843-179.7-74.5-10.8000112.6F392 L489 T490N390-F392 PolarHBondContact O-N 3.03Å; N390-L489 HydrophobicContact CB-CD2 3.96Å; N390-L489 CarbonylContact O-C 3.6Å; N390-L489 VanDerWaalsContact O-CA 3.26Å; N390-L489 WeakPolarHBondContact O-CA 3.37Å; N390-L489 WeakPolarHBondContact O-CB 3.19Å; N390-T490 PolarHBondContact O-N 2.83Å
391S89.4Confident88.5Confident9 Ų970 Ų706%0.06333%0.334CS..BIsolated β-bridgetrans-70.5130.5-176.7-165.50000111.4N383 G389 N393 S493N383-S391 PolarHBondContact ND2-O 3.13Å; N383-S391 WeakPolarHBondContact OD1-CB 3.32Å; N383-S391 PolarHBondContact OD1-N 2.85Å; G389-S391 VanDerWaalsContact C-N 3.28Å; G389-S391 PolarHBondContact O-N 3.23Å; S391-N393 PolarHBondContact O-N 2.77Å; S391-S493 WeakPolarHBondContact OG-CB 3.23Å; S391-S493 PolarHBondContact OG-OG 2.97Å; S391-S493 VanDerWaalsContact OG-OG 3.12Å
392F93.4Very high89Confident1 Ų169.4 Ų69.40%0.00433%0.33CS..  trans-62.5127.3176.2-179-104.2000111.7L314 P315 F365 N390 L394 W397 L489 T490 L491L314-F392 HydrophobicContact CD2-CZ 4.03Å; P315-F392 VanDerWaalsContact CD-CE2 3.41Å; P315-F392 HydrophobicContact CG-CB 3.94Å; P315-F392 HydrophobicContact CG-CD1 4.21Å; P315-F392 HydrophobicContact CG-CD2 3.18Å; P315-F392 HydrophobicContact CG-CE2 3.62Å; P315-F392 HydrophobicContact CG-CG 3.51Å; P315-F392 HydrophobicContact CG-CZ 4.27Å; F365-F392 HydrophobicContact CE1-CD1 4.12Å; F365-F392 HydrophobicContact CE1-CE1 4.37Å; F365-F392 HydrophobicContact CE2-CD1 4.37Å; F365-F392 HydrophobicContact CE2-CE1 4.19Å; F365-F392 AromaticContact CZ-CD1 3.57Å; F365-F392 HydrophobicContact CZ-CD1 3.57Å; F365-F392 AromaticContact CZ-CE1 3.78Å; F365-F392 HydrophobicContact CZ-CE1 3.78Å; N390-F392 PolarHBondContact O-N 3.03Å; F392-L394 HydrophobicContact CE1-CB 4.01Å; F392-W397 HydrophobicContact CE2-CB 3.61Å; F392-W397 AromaticContact CE2-CG 3.86Å; F392-W397 HydrophobicContact CE2-CG 3.86Å; F392-W397 HydrophobicContact CZ-CB 3.48Å; F392-W397 VanDerWaalsContact CZ-CB 3.48Å; F392-W397 HydrophobicContact CZ-CD2 4.04Å; F392-W397 HydrophobicContact CZ-CE3 4.47Å; F392-W397 AromaticContact CZ-CG 3.58Å; F392-W397 HydrophobicContact CZ-CG 3.58Å; F392-L489 HydrophobicContact CB-CB 3.99Å; F392-L489 HydrophobicContact CD2-CB 4.2Å; F392-L489 HydrophobicContact CD2-CD1 3.92Å; F392-T490 WeakPolarHBondContact CB-O 3.38Å; F392-T490 PolarHBondContact N-O 2.92Å; F392-L491 HydrophobicContact CB-CD2 4.39Å; F392-L491 HydrophobicContact CD1-CD2 4.4Å
393N93.2Very high89.4Confident17 Ų1769.3 Ų69.39%0.09134%0.337CS..  trans-112.7107.4176.7-171.9-63000110S376 S391 R395 W396 W397S376-N393 PolarHBondContact O-ND2 3.03Å; S391-N393 PolarHBondContact O-N 2.77Å; N393-R395 VanDerWaalsContact C-N 3.29Å; N393-R395 PolarHBondContact O-N 3.43Å; N393-R395 WeakPolarHBondContact OD1-CB 3.49Å; N393-R395 PolarHBondContact OD1-N 2.63Å; N393-R395 VanDerWaalsContact OD1-N 3.15Å; N393-W396 HydrophobicContact CB-CB 3.99Å; N393-W396 PolarHBondContact O-N 2.91Å; N393-W396 VanDerWaalsContact O-N 3.14Å; N393-W396 PolarHBondContact OD1-N 3.27Å; N393-W397 PolarHBondContact O-N 3.34Å
394L94.8Very high89.8Confident1 Ų167.2 Ų67.21%0.00533%0.326CS..Hα-helixtrans-61.9-36.4-176.3-177.6150.9000112.2M361 F365 L367 E372 W373 F392 W397 Y398 M536M361-L394 HydrophobicContact CE-CD1 4.04Å; F365-L394 HydrophobicContact CB-CD1 3.62Å; F365-L394 HydrophobicContact CD1-CB 4.31Å; F365-L394 HydrophobicContact CD1-CD1 3.72Å; F365-L394 HydrophobicContact CD2-CD1 3.84Å; F365-L394 HydrophobicContact CE1-CB 4.4Å; F365-L394 HydrophobicContact CE1-CD1 4.36Å; F365-L394 HydrophobicContact CE2-CD1 4.47Å; F365-L394 HydrophobicContact CG-CD1 3.42Å; F365-L394 VanDerWaalsContact CG-CD1 3.42Å; L367-L394 HydrophobicContact CD2-CD1 4.04Å; E372-L394 HydrophobicContact CB-CD1 4.15Å; E372-L394 HydrophobicContact CB-CD2 4.13Å; E372-L394 HydrophobicContact CG-CD2 4.3Å; W373-L394 HydrophobicContact CE3-CD2 4.41Å; W373-L394 HydrophobicContact CH2-CD2 4.43Å; W373-L394 HydrophobicContact CZ3-CD2 3.95Å; F392-L394 HydrophobicContact CE1-CB 4.01Å; L394-W397 HydrophobicContact CG-CE3 4.18Å; L394-W397 HydrophobicContact CG-CZ3 4.49Å; L394-W397 PolarHBondContact O-N 3.37Å; L394-Y398 WeakPolarHBondContact O-CB 3.33Å; L394-Y398 PolarHBondContact O-N 2.65Å; L394-M536 HydrophobicContact CD2-CE 4.01Å
395R95.2Very high90.2Very high114 Ų11461.4 Ų61.443%0.4330%0.302SS..Hα-helixtrans-64.1-40.9175.2176.6177.1-101.5174.6-6.7112.7W373 S376 N393 R399W373-R395 HydrophobicContact CE3-CB 4.01Å; W373-R395 HydrophobicContact CE3-CG 4.45Å; W373-R395 HydrophobicContact CZ3-CB 3.83Å; W373-R395 HydrophobicContact CZ3-CG 4.17Å; S376-R395 PolarHBondContact OG-N 3.03Å; S376-R395 VanDerWaalsContact OG-N 3.15Å; N393-R395 VanDerWaalsContact C-N 3.29Å; N393-R395 PolarHBondContact O-N 3.43Å; N393-R395 WeakPolarHBondContact OD1-CB 3.49Å; N393-R395 PolarHBondContact OD1-N 2.63Å; N393-R395 VanDerWaalsContact OD1-N 3.15Å; R395-R399 WeakPolarHBondContact O-CG 3.48Å; R395-R399 PolarHBondContact O-N 3.09Å
396W94.1Very high90.6Very high111 Ų11157.2 Ų57.242%0.4229%0.288SS..Hα-helixtrans-66.1-48.9175.4178.242.7000111.1N393 Y398 R399 T400 P484 L486 L489N393-W396 HydrophobicContact CB-CB 3.99Å; N393-W396 PolarHBondContact O-N 2.91Å; N393-W396 VanDerWaalsContact O-N 3.14Å; N393-W396 PolarHBondContact OD1-N 3.27Å; W396-Y398 VanDerWaalsContact C-N 3.34Å; W396-Y398 PolarHBondContact O-N 3.38Å; W396-R399 PolarHBondContact O-N 3.24Å; W396-R399 VanDerWaalsContact O-N 3.11Å; W396-T400 PolarHBondContact O-N 3.12Å; W396-T400 PolarHBondContact O-OG1 2.94Å; W396-P484 HydrophobicContact CZ2-CG 3.96Å; W396-L486 HydrophobicContact CD2-CD2 4.26Å; W396-L486 HydrophobicContact CE3-CD2 3.75Å; W396-L486 HydrophobicContact CH2-CD2 3.09Å; W396-L486 HydrophobicContact CZ2-CD2 3.63Å; W396-L486 HydrophobicContact CZ3-CD2 3.18Å; W396-L489 HydrophobicContact CE3-CD1 4.22Å; W396-L489 HydrophobicContact CZ3-CD1 3.71Å
397W95.9Very high91.1Very high4 Ų455.9 Ų55.92%0.01528%0.283CS..Hα-helixtrans-53.3-48.7175167.580.6000112.4A312 N313 L314 M361 F392 N393 L394 R399 T400 M401 L486 W539 L540 L543A312-W397 PolarHBondContact O-NE1 3.12Å; N313-W397 PolarHBondContact O-NE1 3.12Å; L314-W397 HydrophobicContact CD1-CZ2 4.22Å; L314-W397 HydrophobicContact CD2-CD2 4.02Å; L314-W397 VanDerWaalsContact CD2-CE2 3.41Å; L314-W397 HydrophobicContact CD2-CG 4.46Å; L314-W397 HydrophobicContact CD2-CH2 4.12Å; L314-W397 HydrophobicContact CD2-CZ2 3.5Å; L314-W397 HydrophobicContact CG-CZ2 3.82Å; M361-W397 HydrophobicContact CE-CH2 4.18Å; M361-W397 HydrophobicContact CE-CZ3 4.1Å; F392-W397 HydrophobicContact CE2-CB 3.61Å; F392-W397 AromaticContact CE2-CG 3.86Å; F392-W397 HydrophobicContact CE2-CG 3.86Å; F392-W397 HydrophobicContact CZ-CB 3.48Å; F392-W397 VanDerWaalsContact CZ-CB 3.48Å; F392-W397 HydrophobicContact CZ-CD2 4.04Å; F392-W397 HydrophobicContact CZ-CE3 4.47Å; F392-W397 AromaticContact CZ-CG 3.58Å; F392-W397 HydrophobicContact CZ-CG 3.58Å; N393-W397 PolarHBondContact O-N 3.34Å; L394-W397 HydrophobicContact CG-CE3 4.18Å; L394-W397 HydrophobicContact CG-CZ3 4.49Å; L394-W397 PolarHBondContact O-N 3.37Å; W397-R399 VanDerWaalsContact C-N 3.32Å; W397-R399 PolarHBondContact O-N 2.94Å; W397-T400 PolarHBondContact O-N 3.32Å; W397-M401 VanDerWaalsContact O-CB 3.29Å; W397-M401 WeakPolarHBondContact O-CB 3.49Å; W397-M401 PolarHBondContact O-N 3.27Å; W397-L486 HydrophobicContact CB-CD1 3.94Å; W397-L486 HydrophobicContact CG-CD1 4.28Å; W397-W539 HydrophobicContact CH2-CH2 4.05Å; W397-W539 AromaticContact CH2-CZ3 3.5Å; W397-W539 HydrophobicContact CH2-CZ3 3.5Å; W397-W539 HydrophobicContact CZ2-CH2 4.39Å; W397-W539 HydrophobicContact CZ2-CZ3 4.25Å; W397-W539 HydrophobicContact CZ3-CH2 4.25Å; W397-W539 AromaticContact CZ3-CZ3 3.66Å; W397-W539 HydrophobicContact CZ3-CZ3 3.66Å; W397-L540 HydrophobicContact CH2-CD1 3.87Å; W397-L543 HydrophobicContact CH2-CD2 4.48Å; W397-L543 HydrophobicContact CZ2-CD2 4.13Å
398Y96.8Very high91.9Very high67 Ų6751.5 Ų51.526%0.26326%0.255SS..Hα-helixtrans-56.3-44.4177.8167.6-103.7000112W373 L394 W396 Q402 M536 W539W373-Y398 HydrophobicContact CH2-CD1 4.24Å; W373-Y398 HydrophobicContact CH2-CG 4.44Å; L394-Y398 WeakPolarHBondContact O-CB 3.33Å; L394-Y398 PolarHBondContact O-N 2.65Å; W396-Y398 VanDerWaalsContact C-N 3.34Å; W396-Y398 PolarHBondContact O-N 3.38Å; Y398-Q402 WeakPolarHBondContact O-CB 3.38Å; Y398-Q402 PolarHBondContact O-N 3.16Å; Y398-M536 HydrophobicContact CD2-CE 3.57Å; Y398-M536 HydrophobicContact CD2-SD 3.99Å; Y398-M536 HydrophobicContact CE2-CE 4.13Å; Y398-M536 HydrophobicContact CE2-SD 3.96Å; Y398-M536 HydrophobicContact CG-CE 3.94Å; Y398-M536 HydrophobicContact CG-SD 4.43Å; Y398-W539 AromaticContact CD2-CD2 3.76Å; Y398-W539 HydrophobicContact CD2-CD2 3.76Å; Y398-W539 AromaticContact CD2-CE2 3.71Å; Y398-W539 AromaticContact CD2-CE3 3.83Å; Y398-W539 HydrophobicContact CD2-CE3 3.83Å; Y398-W539 HydrophobicContact CD2-CG 4.46Å; Y398-W539 AromaticContact CD2-CH2 3.81Å; Y398-W539 HydrophobicContact CD2-CH2 3.81Å; Y398-W539 AromaticContact CD2-CZ2 3.74Å; Y398-W539 HydrophobicContact CD2-CZ2 3.74Å; Y398-W539 AromaticContact CD2-CZ3 3.86Å; Y398-W539 HydrophobicContact CD2-CZ3 3.86Å; Y398-W539 AromaticContact CE2-CD1 3.87Å; Y398-W539 AromaticContact CE2-CD2 3.54Å; Y398-W539 HydrophobicContact CE2-CD2 3.54Å; Y398-W539 AromaticContact CE2-CE2 3.47Å; Y398-W539 VanDerWaalsContact CE2-CE2 3.47Å; Y398-W539 HydrophobicContact CE2-CE3 4.08Å; Y398-W539 AromaticContact CE2-CG 3.8Å; Y398-W539 HydrophobicContact CE2-CG 3.8Å; Y398-W539 HydrophobicContact CE2-CH2 4.42Å; Y398-W539 AromaticContact CE2-CZ2 3.94Å; Y398-W539 HydrophobicContact CE2-CZ2 3.94Å; Y398-W539 HydrophobicContact CE2-CZ3 4.48Å; Y398-W539 AromaticContact CE2-NE1 3.66Å
399R95.8Very high92.7Very high174 Ų17446.5 Ų46.566%0.65723%0.234SC*.Hα-helixtrans-66.6-43.6-179.7-68.7175.2104.7177.75.8111.9R395 W396 W397 T403R395-R399 WeakPolarHBondContact O-CG 3.48Å; R395-R399 PolarHBondContact O-N 3.09Å; W396-R399 PolarHBondContact O-N 3.24Å; W396-R399 VanDerWaalsContact O-N 3.11Å; W397-R399 VanDerWaalsContact C-N 3.32Å; W397-R399 PolarHBondContact O-N 2.94Å; R399-T403 PolarHBondContact O-N 3.49Å; R399-T403 PolarHBondContact O-OG1 3.33Å
400T95.1Very high93.7Very high17 Ų1754.1 Ų54.110%0.10426%0.257CS..Hα-helixtrans-61.4-52.7176.8-57.90000110.1W396 W397 Q402 T403 A404 W473W396-T400 PolarHBondContact O-N 3.12Å; W396-T400 PolarHBondContact O-OG1 2.94Å; W397-T400 PolarHBondContact O-N 3.32Å; T400-Q402 PolarHBondContact O-N 3.11Å; T400-T403 PolarHBondContact O-N 2.81Å; T400-A404 PolarHBondContact O-N 3.27Å; T400-A404 VanDerWaalsContact O-N 3.13Å; T400-W473 HydrophobicContact CG2-CZ3 4.32Å
401M96.2Very high93.9Very high0 Ų055 Ų550%025%0.254CS..Hα-helixtrans-63.9-41-179.6-172.454.953.400112.7A312 N313 W397 T403 A404 L405 F471 W473 W539 L543A312-M401 WeakPolarHBondContact O-CE 3.29Å; N313-M401 HydrophobicContact CB-CE 3.31Å; W397-M401 VanDerWaalsContact O-CB 3.29Å; W397-M401 WeakPolarHBondContact O-CB 3.49Å; W397-M401 PolarHBondContact O-N 3.27Å; M401-T403 VanDerWaalsContact C-N 3.28Å; M401-T403 PolarHBondContact O-N 3.46Å; M401-A404 PolarHBondContact O-N 2.95Å; M401-L405 WeakPolarHBondContact O-CB 3.44Å; M401-L405 PolarHBondContact O-N 2.88Å; M401-F471 HydrophobicContact SD-CE2 4.13Å; M401-F471 HydrophobicContact SD-CZ 4.42Å; M401-W473 HydrophobicContact CE-CH2 3.37Å; M401-W473 HydrophobicContact CE-CZ2 3.2Å; M401-W473 HydrophobicContact CE-CZ3 4.41Å; M401-W473 HydrophobicContact SD-CH2 3.85Å; M401-W473 HydrophobicContact SD-CZ2 3.85Å; M401-W539 HydrophobicContact CB-CH2 3.87Å; M401-W539 HydrophobicContact CB-CZ2 4.23Å; M401-W539 HydrophobicContact CG-CH2 3.63Å; M401-W539 HydrophobicContact CG-CZ2 4Å; M401-L543 HydrophobicContact CG-CD1 3.95Å; M401-L543 HydrophobicContact CG-CD2 3.83Å; M401-L543 HydrophobicContact SD-CD1 3.83Å; M401-L543 HydrophobicContact SD-CD2 4.35Å
402Q96.3Very high93.7Very high62 Ų6258.2 Ų58.229%0.2927%0.268SS..Hα-helixtrans-61.6-38.3178.1176.157.519.600112Y398 T400 T406 W539Y398-Q402 WeakPolarHBondContact O-CB 3.38Å; Y398-Q402 PolarHBondContact O-N 3.16Å; T400-Q402 PolarHBondContact O-N 3.11Å; Q402-T406 PolarHBondContact NE2-OG1 2.88Å; Q402-T406 VanDerWaalsContact NE2-OG1 3.13Å; Q402-T406 WeakPolarHBondContact O-CB 3.44Å; Q402-T406 PolarHBondContact O-N 3.33Å; Q402-T406 PolarHBondContact O-OG1 2.89Å; Q402-W539 HydrophobicContact CB-CZ2 4.31Å
403T94.8Very high93.4Very high94 Ų9464 Ų6458%0.57730%0.295SS*.Hα-helixtrans-66.7-47.8178-56.50000110.6R399 T400 M401 T407R399-T403 PolarHBondContact O-N 3.49Å; R399-T403 PolarHBondContact O-OG1 3.33Å; T400-T403 PolarHBondContact O-N 2.81Å; M401-T403 VanDerWaalsContact C-N 3.28Å; M401-T403 PolarHBondContact O-N 3.46Å; T403-T407 WeakPolarHBondContact O-CB 3.45Å; T403-T407 PolarHBondContact O-N 2.84Å; T403-T407 VanDerWaalsContact O-N 3.12Å; T403-T407 PolarHBondContact O-OG1 2.89Å
404A94.8Very high93Very high3 Ų366.5 Ų66.53%0.02531%0.309CS..Hα-helixtrans-60.2-49.9175.500000111.9T400 M401 T406 T407 A408 F471 W473 D482T400-A404 PolarHBondContact O-N 3.27Å; T400-A404 VanDerWaalsContact O-N 3.13Å; M401-A404 PolarHBondContact O-N 2.95Å; A404-T406 PolarHBondContact O-N 3.49Å; A404-T407 WeakPolarHBondContact O-CB 3.31Å; A404-T407 PolarHBondContact O-N 2.86Å; A404-T407 VanDerWaalsContact O-N 3.14Å; A404-A408 WeakPolarHBondContact O-CB 3.49Å; A404-A408 PolarHBondContact O-N 2.82Å; A404-F471 HydrophobicContact CB-CD1 4.02Å; A404-F471 HydrophobicContact CB-CE1 3.94Å; A404-W473 HydrophobicContact CB-CH2 3.45Å; A404-W473 VanDerWaalsContact CB-CH2 3.45Å; A404-W473 HydrophobicContact CB-CZ3 3.88Å; A404-D482 HydrophobicContact CB-CB 3.91Å
405L95.8Very high92.4Very high18 Ų1870.5 Ų70.59%0.09433%0.33CS..Hα-helixtrans-59.3-46.3-179.6179.261.8000111.9M401 T407 A408 A409 F471 W539 L543 F546M401-L405 WeakPolarHBondContact O-CB 3.44Å; M401-L405 PolarHBondContact O-N 2.88Å; L405-T407 VanDerWaalsContact C-N 3.27Å; L405-T407 PolarHBondContact O-N 3.34Å; L405-A408 PolarHBondContact O-N 3.36Å; L405-A409 VanDerWaalsContact O-CB 3.29Å; L405-A409 WeakPolarHBondContact O-CB 3.21Å; L405-A409 PolarHBondContact O-N 2.96Å; L405-F471 HydrophobicContact CB-CZ 4.39Å; L405-F471 HydrophobicContact CD1-CZ 4.19Å; L405-W539 HydrophobicContact CD2-CZ2 4.48Å; L405-L543 HydrophobicContact CD1-CD1 4.18Å; L405-L543 HydrophobicContact CD2-CB 4.46Å; L405-L543 HydrophobicContact CD2-CD1 4.16Å; L405-F546 HydrophobicContact CD1-CB 3.84Å; L405-F546 HydrophobicContact CD1-CD1 3.35Å; L405-F546 HydrophobicContact CD1-CD2 4.06Å; L405-F546 HydrophobicContact CD1-CE1 3.87Å; L405-F546 HydrophobicContact CD1-CG 3.46Å; L405-F546 VanDerWaalsContact CD1-CG 3.46Å; L405-F546 HydrophobicContact CD1-CZ 4.43Å
406T94.9Very high91.8Very high78 Ų7867.7 Ų67.748%0.47932%0.323SS..Hα-helixtrans-62-39.5177.8-55.10000111.1Q402 A404 R410Q402-T406 PolarHBondContact NE2-OG1 2.88Å; Q402-T406 VanDerWaalsContact NE2-OG1 3.13Å; Q402-T406 WeakPolarHBondContact O-CB 3.44Å; Q402-T406 PolarHBondContact O-N 3.33Å; Q402-T406 PolarHBondContact O-OG1 2.89Å; A404-T406 PolarHBondContact O-N 3.49Å; T406-R410 PolarHBondContact O-N 3.07Å; T406-R410 VanDerWaalsContact O-N 3.12Å
407T92.6Very high91.2Very high56 Ų5666.2 Ų66.234%0.34433%0.334SS..Hα-helixtrans-68.3-46.4178.6-57.30000111.1T403 A404 L405 R410 R411T403-T407 WeakPolarHBondContact O-CB 3.45Å; T403-T407 PolarHBondContact O-N 2.84Å; T403-T407 VanDerWaalsContact O-N 3.12Å; T403-T407 PolarHBondContact O-OG1 2.89Å; A404-T407 WeakPolarHBondContact O-CB 3.31Å; A404-T407 PolarHBondContact O-N 2.86Å; A404-T407 VanDerWaalsContact O-N 3.14Å; L405-T407 VanDerWaalsContact C-N 3.27Å; L405-T407 PolarHBondContact O-N 3.34Å; T407-R410 PolarHBondContact O-N 3.26Å; T407-R411 WeakPolarHBondContact O-CG 3.35Å; T407-R411 PolarHBondContact O-N 3.29Å
408A91.9Very high90.3Very high11 Ų1170.9 Ų70.99%0.09135%0.352CS..Hα-helixtrans-63.7-41.317700000112.3A404 L405 R410 R411 Q412 F471 F546A404-A408 WeakPolarHBondContact O-CB 3.49Å; A404-A408 PolarHBondContact O-N 2.82Å; L405-A408 PolarHBondContact O-N 3.36Å; A408-R410 VanDerWaalsContact C-N 3.32Å; A408-R410 PolarHBondContact O-N 3.38Å; A408-R411 WeakPolarHBondContact O-CB 3.39Å; A408-R411 PolarHBondContact O-N 3.12Å; A408-Q412 PolarHBondContact O-N 3.03Å; A408-F471 HydrophobicContact CB-CD1 4.33Å; A408-F471 HydrophobicContact CB-CE1 3.54Å; A408-F471 HydrophobicContact CB-CZ 4.22Å; A408-F546 HydrophobicContact CB-CE1 3.98Å; A408-F546 HydrophobicContact CB-CZ 3.7Å
409A92.2Very high89.4Confident41 Ų4169.5 Ų69.534%0.33935%0.347SS..Hα-helixtrans-60.5-41.3174.900000112.1L405 Q412 Q413 F546L405-A409 VanDerWaalsContact O-CB 3.29Å; L405-A409 WeakPolarHBondContact O-CB 3.21Å; L405-A409 PolarHBondContact O-N 2.96Å; A409-Q412 PolarHBondContact O-N 3.43Å; A409-Q413 PolarHBondContact O-N 3.35Å; A409-F546 HydrophobicContact CB-CE2 4.02Å
410R90.8Very high88.4Confident180 Ų18068.6 Ų68.668%0.67935%0.35SS*.Hα-helixtrans-64.1-46.2173.7-173.3177.5180173.21.4111.8T406 T407 A408 Q412 Q413 D414T406-R410 PolarHBondContact O-N 3.07Å; T406-R410 VanDerWaalsContact O-N 3.12Å; T407-R410 PolarHBondContact O-N 3.26Å; A408-R410 VanDerWaalsContact C-N 3.32Å; A408-R410 PolarHBondContact O-N 3.38Å; R410-Q412 VanDerWaalsContact C-N 3.3Å; R410-Q412 PolarHBondContact O-N 2.85Å; R410-Q413 PolarHBondContact O-N 3.44Å; R410-D414 PolarHBondContact O-N 3.37Å
411R87.1Confident87.5Confident98 Ų9872.2 Ų72.237%0.3736%0.362SS..Hα-helixtrans-56.7-44.2175.5-69.2175.4-169.1151.85111.1T407 A408 D414 N415 D482T407-R411 WeakPolarHBondContact O-CG 3.35Å; T407-R411 PolarHBondContact O-N 3.29Å; A408-R411 WeakPolarHBondContact O-CB 3.39Å; A408-R411 PolarHBondContact O-N 3.12Å; R411-D414 PolarHBondContact O-N 2.81Å; R411-N415 WeakPolarHBondContact O-CB 3.37Å; R411-N415 PolarHBondContact O-N 2.82Å; R411-N415 PolarHBondContact O-ND2 2.98Å; R411-D482 IonicContact CZ-OD1 3.31Å; R411-D482 IonicContact NH1-OD1 3.04Å; R411-D482 PolarHBondContact NH1-OD1 3.27Å; R411-D482 IonicContact NH1-OD2 3.96Å; R411-D482 IonicContact NH2-OD1 3.4Å; R411-D482 PolarHBondContact NH2-OD1 3.14Å; R411-D482 VanDerWaalsContact NH2-OD1 3.11Å
412Q86.5Confident86.4Confident76 Ų7679.8 Ų79.836%0.35540%0.395SS..Hα-helixtrans-63.9-43.9178-174-1802.700112A408 A409 R410 D414 N415 I416A408-Q412 PolarHBondContact O-N 3.03Å; A409-Q412 PolarHBondContact O-N 3.43Å; R410-Q412 VanDerWaalsContact C-N 3.3Å; R410-Q412 PolarHBondContact O-N 2.85Å; Q412-D414 VanDerWaalsContact C-N 3.35Å; Q412-N415 PolarHBondContact O-N 3.39Å; Q412-I416 HydrophobicContact CG-CD1 4.01Å; Q412-I416 VanDerWaalsContact O-CG1 3.31Å; Q412-I416 WeakPolarHBondContact O-CG1 3.48Å; Q412-I416 PolarHBondContact O-N 2.87Å
413Q87.3Confident85.3Confident123 Ų12378.4 Ų78.458%0.57539%0.391SS*.Hα-helixtrans-62.4-43.1177.3-175.463.214.100111.6A409 R410 N415 I416 A417A409-Q413 PolarHBondContact O-N 3.35Å; R410-Q413 PolarHBondContact O-N 3.44Å; Q413-N415 VanDerWaalsContact C-N 3.35Å; Q413-N415 PolarHBondContact O-N 3.23Å; Q413-I416 PolarHBondContact O-N 2.85Å; Q413-A417 WeakPolarHBondContact O-CB 3.43Å; Q413-A417 PolarHBondContact O-N 3.22Å
414D84.2Confident84.3Confident69 Ų6981.2 Ų81.237%0.36940%0.398SS..Hα-helixtrans-62.9-41.3175.8-72.5-17000111.2R410 R411 Q412 A417 R418R410-D414 PolarHBondContact O-N 3.37Å; R411-D414 PolarHBondContact O-N 2.81Å; Q412-D414 VanDerWaalsContact C-N 3.35Å; D414-A417 PolarHBondContact O-N 3.42Å; D414-R418 WeakPolarHBondContact O-CB 3.46Å; D414-R418 WeakPolarHBondContact O-CG 3.44Å; D414-R418 PolarHBondContact O-N 2.86Å
415N82.4Confident83.4Confident84 Ų8487 Ų8745%0.44942%0.422SS..Hα-helixtrans-64.3-42.4176.1-73.7-16000112.3R411 Q412 Q413 A417 R418 K419R411-N415 WeakPolarHBondContact O-CB 3.37Å; R411-N415 PolarHBondContact O-N 2.82Å; R411-N415 PolarHBondContact O-ND2 2.98Å; Q412-N415 PolarHBondContact O-N 3.39Å; Q413-N415 VanDerWaalsContact C-N 3.35Å; Q413-N415 PolarHBondContact O-N 3.23Å; N415-A417 VanDerWaalsContact C-N 3.35Å; N415-R418 PolarHBondContact O-N 3.39Å; N415-K419 PolarHBondContact O-N 3.12Å
416I82.9Confident82.1Confident56 Ų5687.7 Ų87.729%0.28743%0.428SS..Hα-helixtrans-63.2-42.9175.6-69.4166.4000110.5Q412 Q413 R418 K419Q412-I416 HydrophobicContact CG-CD1 4.01Å; Q412-I416 VanDerWaalsContact O-CG1 3.31Å; Q412-I416 WeakPolarHBondContact O-CG1 3.48Å; Q412-I416 PolarHBondContact O-N 2.87Å; Q413-I416 PolarHBondContact O-N 2.85Å; I416-R418 VanDerWaalsContact C-N 3.33Å; I416-R418 PolarHBondContact O-N 3.12Å; I416-K419 VanDerWaalsContact O-CB 3.31Å; I416-K419 WeakPolarHBondContact O-CB 3.28Å; I416-K419 PolarHBondContact O-N 2.87Å
417A81.3Confident81.1Confident79 Ų7984.9 Ų84.965%0.65341%0.41SS*.Hα-helixtrans-65.3-35.517800000112.5Q413 D414 N415 K419Q413-A417 WeakPolarHBondContact O-CB 3.43Å; Q413-A417 PolarHBondContact O-N 3.22Å; D414-A417 PolarHBondContact O-N 3.42Å; N415-A417 VanDerWaalsContact C-N 3.35Å; A417-K419 VanDerWaalsContact C-N 3.33Å
418R77.5Confident80.2Confident102 Ų10285 Ų8539%0.38540%0.404SS..Hα-helixtrans-80.6-10176.8-69.1171.6-169.3-129.77.9113.7D414 N415 I416 H420D414-R418 WeakPolarHBondContact O-CB 3.46Å; D414-R418 WeakPolarHBondContact O-CG 3.44Å; D414-R418 PolarHBondContact O-N 2.86Å; N415-R418 PolarHBondContact O-N 3.39Å; I416-R418 VanDerWaalsContact C-N 3.33Å; I416-R418 PolarHBondContact O-N 3.12Å; R418-H420 PolarHBondContact O-N 3.13Å
419K76.9Confident79.1Confident38 Ų3887.7 Ų87.717%0.16542%0.42CS..  trans-62.1129.7-174.5-169.3161.7-168.1152.90110.9V235 N236 N415 I416 A417 W421V235-K419 PolarHBondContact O-NZ 3.31Å; N236-K419 PolarHBondContact O-NZ 3.01Å; N415-K419 PolarHBondContact O-N 3.12Å; I416-K419 VanDerWaalsContact O-CB 3.31Å; I416-K419 WeakPolarHBondContact O-CB 3.28Å; I416-K419 PolarHBondContact O-N 2.87Å; A417-K419 VanDerWaalsContact C-N 3.33Å; K419-W421 VanDerWaalsContact C-N 3.27Å; K419-W421 HydrophobicContact CD-CH2 4.35Å; K419-W421 HydrophobicContact CD-CZ2 3.85Å; K419-W421 HydrophobicContact CG-CZ2 4.43Å; K419-W421 PolarHBondContact O-N 2.55Å
420H73.9Confident78.1Confident155 Ų15587.5 Ų87.572%0.71842%0.416SS*.  trans-75.978.6178.8-68.288.9000110.5N244 R418 K422N244-H420 PolarHBondContact ND2-O 3.05Å; N244-H420 VanDerWaalsContact ND2-O 3.09Å; R418-H420 PolarHBondContact O-N 3.13Å; H420-K422 VanDerWaalsContact C-N 3.29Å
421W76.4Confident77Confident94 Ų9485 Ų8536%0.35641%0.41SS..  trans-69.1-29.5175.8-66.7100.2000112.4V243 N244 I268 K419V243-W421 HydrophobicContact CG1-CE3 4.02Å; V243-W421 HydrophobicContact CG1-CZ3 4.36Å; V243-W421 HydrophobicContact CG2-CE3 4.43Å; V243-W421 HydrophobicContact CG2-CZ3 3.95Å; N244-W421 PolarHBondContact ND2-O 3.28Å; N244-W421 VanDerWaalsContact ND2-O 3.16Å; I268-W421 HydrophobicContact CG1-CH2 4.34Å; K419-W421 VanDerWaalsContact C-N 3.27Å; K419-W421 HydrophobicContact CD-CH2 4.35Å; K419-W421 HydrophobicContact CD-CZ2 3.85Å; K419-W421 HydrophobicContact CG-CZ2 4.43Å; K419-W421 PolarHBondContact O-N 2.55Å
422K74.4Confident76.3Confident159 Ų15989.2 Ų89.269%0.69143%0.431SS*.SBendtrans-85.4132.1177.8-68.5-177-178.1171.90110.2H420H420-K422 VanDerWaalsContact C-N 3.29Å
423P72.4Confident75.8Confident33 Ų3388.5 Ų88.521%0.21443%0.429CS..  trans-69.2146.7175.929.5-36.5000112.3Y246 E247 K425Y246-P423 HydrophobicContact CE2-CB 4.34Å; Y246-P423 WeakPolarHBondContact OH-CB 3.49Å; Y246-P423 WeakPolarHBondContact OH-CG 3.41Å; E247-P423 HydrophobicContact CG-CB 4.42Å; E247-P423 VanDerWaalsContact OE1-C 3.23Å; E247-P423 WeakPolarHBondContact OE1-CA 3.35Å; E247-P423 WeakPolarHBondContact OE1-CB 3.47Å; P423-K425 VanDerWaalsContact C-N 3.27Å; P423-K425 WeakPolarHBondContact CB-O 3.29Å
424Q74.9Confident75.5Confident152 Ų15287 Ų8771%0.7142%0.421SS*.SBendtrans-61.5-36.1162.8-60.5-170.80.200111.6E247 P426 R441E247-Q424 WeakPolarHBondContact OE1-CA 3.37Å; E247-Q424 PolarHBondContact OE1-N 2.75Å; Q424-P426 WeakPolarHBondContact O-CD 3.42Å; Q424-R441 PolarHBondContact O-NH1 3.09Å
425K74.5Confident75.3Confident125 Ų12587.5 Ų87.554%0.54343%0.43SS..SBendtrans-101.198.5175.7-67.3176.7-173.2165.20109.9E247 P423 L427E247-K425 PolarHBondContact O-NZ 3.02Å; E247-K425 PolarHBondContact OE1-N 2.69Å; P423-K425 VanDerWaalsContact C-N 3.27Å; P423-K425 WeakPolarHBondContact CB-O 3.29Å; K425-L427 PolarHBondContact O-N 3.41Å
426P69.9Low75.4Confident33 Ų3386.7 Ų86.721%0.21443%0.428CS..  trans-68.5123.1-171.325.4-33.1000111.5Q424 V437 L438 R441Q424-P426 WeakPolarHBondContact O-CD 3.42Å; P426-V437 HydrophobicContact CB-CG1 3.88Å; P426-L438 HydrophobicContact CG-CD2 3.89Å; P426-R441 VanDerWaalsContact CD-NH1 3.34Å
427L73.4Confident75.3Confident18 Ų1886.1 Ų86.19%0.09443%0.427CS..  trans-76.4131172.6-65.1177.7000110.7Y246 L255 K425Y246-L427 HydrophobicContact CD2-CD1 4.36Å; Y246-L427 HydrophobicContact CD2-CD2 4.21Å; Y246-L427 HydrophobicContact CE1-CD1 3.81Å; Y246-L427 HydrophobicContact CE2-CD1 3.63Å; Y246-L427 HydrophobicContact CE2-CD2 3.74Å; Y246-L427 HydrophobicContact CE2-CG 3.68Å; Y246-L427 VanDerWaalsContact OH-CD1 3.3Å; Y246-L427 WeakPolarHBondContact OH-CD1 3.05Å; L255-L427 HydrophobicContact CB-CD2 3.89Å; L255-L427 HydrophobicContact CD1-CD2 4.44Å; K425-L427 PolarHBondContact O-N 3.41Å
428Y73.1Confident75.5Confident59 Ų5985.5 Ų85.523%0.23141%0.412CS..  trans-123.2135.3173.150.8-93.1000111.2G257 S430 K434G257-Y428 PolarHBondContact N-O 2.6Å; Y428-S430 WeakPolarHBondContact CD2-O 3.39Å; Y428-K434 HydrophobicContact CD1-CB 4.28Å; Y428-K434 HydrophobicContact CD1-CD 4.35Å; Y428-K434 HydrophobicContact CD1-CG 3.95Å; Y428-K434 HydrophobicContact CD2-CB 4.2Å; Y428-K434 HydrophobicContact CE1-CD 3.86Å; Y428-K434 HydrophobicContact CE1-CG 3.97Å; Y428-K434 HydrophobicContact CE2-CD 4.32Å; Y428-K434 HydrophobicContact CG-CB 4.06Å; Y428-K434 HydrophobicContact CG-CG 4.26Å
429T69.2Low75.8Confident67 Ų6786.8 Ų86.841%0.41142%0.421SS..SBendtrans-74.4-25.7-178.239.80000113.2G257 L261 D433G257-T429 VanDerWaalsContact CA-O 3.28Å; G257-T429 WeakPolarHBondContact CA-O 3.43Å; L261-T429 HydrophobicContact CD2-CG2 4.1Å; T429-D433 PolarHBondContact OG1-OD2 3.45Å
430S70.2Confident76.2Confident37 Ų3793.7 Ų93.726%0.25945%0.446SS..SBendtrans-149.8160.7174.481.70000110.7Y428 K432 D433 K434Y428-S430 WeakPolarHBondContact CD2-O 3.39Å; S430-K432 PolarHBondContact O-N 3.11Å; S430-K432 PolarHBondContact OG-N 2.8Å; S430-D433 WeakPolarHBondContact CB-OD2 3.2Å; S430-D433 PolarHBondContact N-OD2 3.41Å; S430-D433 PolarHBondContact O-N 3.06Å; S430-D433 VanDerWaalsContact O-N 3.15Å; S430-D433 PolarHBondContact OG-N 3.02Å; S430-D433 PolarHBondContact OG-OD2 3.44Å; S430-K434 PolarHBondContact O-N 2.95Å
431K68.8Low76.7Confident127 Ų12790.6 Ų90.655%0.55243%0.428SS*.THydrogen-bonded Turntrans-62.3-29174.9-68.7-175.1-179.7178.90112.4D433 K434K431-D433 VanDerWaalsContact C-N 3.31Å; K431-K434 WeakPolarHBondContact O-CB 3.25Å; K431-K434 PolarHBondContact O-N 2.86Å
432K72.1Confident77.1Confident187 Ų18794 Ų9481%0.81344%0.441SS*.THydrogen-bonded Turntrans-67.8-35.2177.1-63.2-175.7179.7-177.20111.1S430 K434S430-K432 PolarHBondContact O-N 3.11Å; S430-K432 PolarHBondContact OG-N 2.8Å; K432-K434 VanDerWaalsContact C-N 3.32Å; K432-K434 PolarHBondContact O-N 3.29Å
433D75.8Confident77.7Confident61 Ų6190.2 Ų90.233%0.32643%0.427SS..THydrogen-bonded Turntrans-79-16.9-178.8-53.2-35.7000112.9T429 S430 K431 S435 V436 V437T429-D433 PolarHBondContact OG1-OD2 3.45Å; S430-D433 WeakPolarHBondContact CB-OD2 3.2Å; S430-D433 PolarHBondContact N-OD2 3.41Å; S430-D433 PolarHBondContact O-N 3.06Å; S430-D433 VanDerWaalsContact O-N 3.15Å; S430-D433 PolarHBondContact OG-N 3.02Å; S430-D433 PolarHBondContact OG-OD2 3.44Å; K431-D433 VanDerWaalsContact C-N 3.31Å; D433-S435 VanDerWaalsContact C-N 3.32Å; D433-S435 PolarHBondContact O-N 3.12Å; D433-V436 PolarHBondContact O-N 2.83Å; D433-V436 VanDerWaalsContact O-N 3.1Å; D433-V437 WeakPolarHBondContact O-CG2 3.17Å; D433-V437 PolarHBondContact O-N 3.43Å
434K81.1Confident78.3Confident91 Ų9190 Ų9040%0.39643%0.428SS..Hα-helixtrans-54.3-46.4-175.9-175.7176.5-179.11730112.2Y428 S430 K431 K432 V436 V437 L438Y428-K434 HydrophobicContact CD1-CB 4.28Å; Y428-K434 HydrophobicContact CD1-CD 4.35Å; Y428-K434 HydrophobicContact CD1-CG 3.95Å; Y428-K434 HydrophobicContact CD2-CB 4.2Å; Y428-K434 HydrophobicContact CE1-CD 3.86Å; Y428-K434 HydrophobicContact CE1-CG 3.97Å; Y428-K434 HydrophobicContact CE2-CD 4.32Å; Y428-K434 HydrophobicContact CG-CB 4.06Å; Y428-K434 HydrophobicContact CG-CG 4.26Å; S430-K434 PolarHBondContact O-N 2.95Å; K431-K434 WeakPolarHBondContact O-CB 3.25Å; K431-K434 PolarHBondContact O-N 2.86Å; K432-K434 VanDerWaalsContact C-N 3.32Å; K432-K434 PolarHBondContact O-N 3.29Å; K434-V436 PolarHBondContact O-N 3.06Å; K434-V437 PolarHBondContact O-N 2.83Å; K434-L438 HydrophobicContact CG-CD1 3.98Å; K434-L438 HydrophobicContact CG-CG 4.48Å; K434-L438 WeakPolarHBondContact O-CB 3.36Å; K434-L438 VanDerWaalsContact O-CG 3.26Å; K434-L438 WeakPolarHBondContact O-CG 2.99Å; K434-L438 PolarHBondContact O-N 3.19Å
435S79.5Confident78.7Confident80 Ų8086.3 Ų86.356%0.55941%0.41SS*.Hα-helixtrans-65.2-39.6-18058.70000112.1D433 K439D433-S435 VanDerWaalsContact C-N 3.32Å; D433-S435 PolarHBondContact O-N 3.12Å; S435-K439 WeakPolarHBondContact O-CB 3.06Å; S435-K439 PolarHBondContact O-N 3Å
436V84.7Confident79.4Confident68 Ų6886.6 Ų86.641%0.41241%0.414SS..Hα-helixtrans-66.3-46.3178179.90000110.7D433 K434 K439 R440D433-V436 PolarHBondContact O-N 2.83Å; D433-V436 VanDerWaalsContact O-N 3.1Å; K434-V436 PolarHBondContact O-N 3.06Å; V436-K439 PolarHBondContact O-N 3.46Å; V436-R440 WeakPolarHBondContact O-CB 3.41Å; V436-R440 WeakPolarHBondContact O-CG 3.39Å; V436-R440 PolarHBondContact O-N 2.81Å
437V81.9Confident80.1Confident43 Ų4390.4 Ų90.426%0.26143%0.432SS..Hα-helixtrans-61.8-46.3178173.20000110.7P426 D433 K434 K439 R440 R441P426-V437 HydrophobicContact CB-CG1 3.88Å; D433-V437 WeakPolarHBondContact O-CG2 3.17Å; D433-V437 PolarHBondContact O-N 3.43Å; K434-V437 PolarHBondContact O-N 2.83Å; V437-K439 PolarHBondContact O-N 3.05Å; V437-R440 PolarHBondContact O-N 3.35Å; V437-R441 WeakPolarHBondContact O-CB 3.22Å; V437-R441 PolarHBondContact O-N 2.91Å
438L83.9Confident80.6Confident66 Ų6694.8 Ų94.835%0.34645%0.452SS..Hα-helixtrans-65.2-38.2177-69.2174.9000112.4P426 K434 R441 R442P426-L438 HydrophobicContact CG-CD2 3.89Å; K434-L438 HydrophobicContact CG-CD1 3.98Å; K434-L438 HydrophobicContact CG-CG 4.48Å; K434-L438 WeakPolarHBondContact O-CB 3.36Å; K434-L438 VanDerWaalsContact O-CG 3.26Å; K434-L438 WeakPolarHBondContact O-CG 2.99Å; K434-L438 PolarHBondContact O-N 3.19Å; L438-R441 PolarHBondContact O-N 3.23Å; L438-R442 WeakPolarHBondContact O-CG 3.49Å; L438-R442 PolarHBondContact O-N 3.43Å
439K85.7Confident81Confident129 Ų12996.6 Ų96.656%0.56147%0.465SS*.Hα-helixtrans-63.7-47.6173.9-173.1177.9-179.4179.10111.3S435 V436 V437 R441 R442 I443S435-K439 WeakPolarHBondContact O-CB 3.06Å; S435-K439 PolarHBondContact O-N 3Å; V436-K439 PolarHBondContact O-N 3.46Å; V437-K439 PolarHBondContact O-N 3.05Å; K439-R441 VanDerWaalsContact C-N 3.3Å; K439-R441 PolarHBondContact O-N 2.92Å; K439-R442 PolarHBondContact O-N 2.77Å; K439-I443 HydrophobicContact CG-CD1 4.03Å; K439-I443 WeakPolarHBondContact O-CG1 3.4Å; K439-I443 PolarHBondContact O-N 3.27Å
440R84.8Confident81.7Confident183 Ų18396.1 Ų96.169%0.69146%0.464SS*.Hα-helixtrans-60-39.5176.7-75.7-179.3176.9-177.4-0.4112.1V436 V437 I443 A444V436-R440 WeakPolarHBondContact O-CB 3.41Å; V436-R440 WeakPolarHBondContact O-CG 3.39Å; V436-R440 PolarHBondContact O-N 2.81Å; V437-R440 PolarHBondContact O-N 3.35Å; R440-I443 PolarHBondContact O-N 3.39Å; R440-A444 WeakPolarHBondContact O-CB 3Å; R440-A444 PolarHBondContact O-N 3.42Å
441R83.6Confident82.3Confident90 Ų90101.1 Ų101.134%0.3448%0.482SS..Hα-helixtrans-59.9-54174.2178.5-178.3172.3168.67.5111.2Q424 P426 V437 L438 K439 I443 A444 E445Q424-R441 PolarHBondContact O-NH1 3.09Å; P426-R441 VanDerWaalsContact CD-NH1 3.34Å; V437-R441 WeakPolarHBondContact O-CB 3.22Å; V437-R441 PolarHBondContact O-N 2.91Å; L438-R441 PolarHBondContact O-N 3.23Å; K439-R441 VanDerWaalsContact C-N 3.3Å; K439-R441 PolarHBondContact O-N 2.92Å; R441-I443 VanDerWaalsContact C-N 3.28Å; R441-I443 PolarHBondContact O-N 3.4Å; R441-A444 WeakPolarHBondContact O-CB 3.26Å; R441-A444 PolarHBondContact O-N 2.94Å; R441-E445 HydrophobicContact CG-CG 4.33Å; R441-E445 IonicContact CZ-OE1 3.85Å; R441-E445 VanDerWaalsContact CZ-OE1 3.31Å; R441-E445 IonicContact NE-OE1 3.78Å; R441-E445 PolarHBondContact NE-OE1 3.22Å; R441-E445 IonicContact NE-OE2 2.89Å; R441-E445 IonicContact NH2-OE1 3.92Å; R441-E445 PolarHBondContact NH2-OE1 2.87Å; R441-E445 WeakPolarHBondContact O-CG 3.11Å; R441-E445 PolarHBondContact O-N 3.4Å
442R85.5Confident82.9Confident166 Ų16699.2 Ų99.263%0.62648%0.475SS*.Hα-helixtrans-55.9-43.2178.6-73.4-173.7-65.6-173.11.9112.2L438 K439 E445 Q446L438-R442 WeakPolarHBondContact O-CG 3.49Å; L438-R442 PolarHBondContact O-N 3.43Å; K439-R442 PolarHBondContact O-N 2.77Å; R442-E445 PolarHBondContact O-N 3.15Å; R442-Q446 VanDerWaalsContact O-CB 3.29Å; R442-Q446 WeakPolarHBondContact O-CB 3.43Å; R442-Q446 PolarHBondContact O-N 3.19Å
443I87.1Confident83.5Confident80 Ų8099.1 Ų99.141%0.4147%0.474SS..Hα-helixtrans-62.2-45.4175.8-66.6167.1000110.7K439 R440 R441 Q446 L447K439-I443 HydrophobicContact CG-CD1 4.03Å; K439-I443 WeakPolarHBondContact O-CG1 3.4Å; K439-I443 PolarHBondContact O-N 3.27Å; R440-I443 PolarHBondContact O-N 3.39Å; R441-I443 VanDerWaalsContact C-N 3.28Å; R441-I443 PolarHBondContact O-N 3.4Å; I443-Q446 PolarHBondContact O-N 3.19Å; I443-L447 HydrophobicContact CG2-CD1 3.97Å; I443-L447 HydrophobicContact CG2-CG 4.39Å; I443-L447 WeakPolarHBondContact O-CB 3.32Å; I443-L447 VanDerWaalsContact O-CG 3.28Å; I443-L447 WeakPolarHBondContact O-CG 3.48Å; I443-L447 PolarHBondContact O-N 3.06Å
444A84.4Confident83.8Confident27 Ų27103.5 Ų103.522%0.22350%0.497CS..Hα-helixtrans-64.3-42.5179.200000112.6R440 R441 L447 Q448R440-A444 WeakPolarHBondContact O-CB 3Å; R440-A444 PolarHBondContact O-N 3.42Å; R441-A444 WeakPolarHBondContact O-CB 3.26Å; R441-A444 PolarHBondContact O-N 2.94Å; A444-L447 PolarHBondContact O-N 2.9Å; A444-Q448 WeakPolarHBondContact O-CB 3.39Å; A444-Q448 PolarHBondContact O-N 2.98Å
445E84.3Confident83.6Confident75 Ų75101 Ų10135%0.3549%0.491SS..Hα-helixtrans-64-42.9175.8-72.4169.7162.600111R441 R442 Q448 L449R441-E445 HydrophobicContact CG-CG 4.33Å; R441-E445 IonicContact CZ-OE1 3.85Å; R441-E445 VanDerWaalsContact CZ-OE1 3.31Å; R441-E445 IonicContact NE-OE1 3.78Å; R441-E445 PolarHBondContact NE-OE1 3.22Å; R441-E445 IonicContact NE-OE2 2.89Å; R441-E445 IonicContact NH2-OE1 3.92Å; R441-E445 PolarHBondContact NH2-OE1 2.87Å; R441-E445 WeakPolarHBondContact O-CG 3.11Å; R441-E445 PolarHBondContact O-N 3.4Å; R442-E445 PolarHBondContact O-N 3.15Å; E445-Q448 PolarHBondContact O-N 3.03Å; E445-L449 WeakPolarHBondContact O-CB 3.32Å; E445-L449 WeakPolarHBondContact O-CG 3.27Å; E445-L449 PolarHBondContact O-N 3.12Å
446Q87.4Confident82.6Confident132 Ų132103 Ų10362%0.61751%0.505SS*.Hα-helixtrans-62.6-43.9175.3-173.6179.2-4.900111.7R442 I443 Q448 L449 S450R442-Q446 VanDerWaalsContact O-CB 3.29Å; R442-Q446 WeakPolarHBondContact O-CB 3.43Å; R442-Q446 PolarHBondContact O-N 3.19Å; I443-Q446 PolarHBondContact O-N 3.19Å; Q446-Q448 VanDerWaalsContact C-N 3.33Å; Q446-Q448 PolarHBondContact O-N 3.43Å; Q446-L449 PolarHBondContact O-N 3.37Å; Q446-S450 WeakPolarHBondContact O-CB 3.36Å; Q446-S450 PolarHBondContact O-N 2.93Å; Q446-S450 PolarHBondContact O-OG 3.12Å
447L86.3Confident81.3Confident113 Ų113103 Ų10359%0.59251%0.508SS*.Hα-helixtrans-62.4-40.8174.9-74.3171.9000111.8I443 A444 S450 F451I443-L447 HydrophobicContact CG2-CD1 3.97Å; I443-L447 HydrophobicContact CG2-CG 4.39Å; I443-L447 WeakPolarHBondContact O-CB 3.32Å; I443-L447 VanDerWaalsContact O-CG 3.28Å; I443-L447 WeakPolarHBondContact O-CG 3.48Å; I443-L447 PolarHBondContact O-N 3.06Å; A444-L447 PolarHBondContact O-N 2.9Å; L447-S450 PolarHBondContact O-N 2.83Å; L447-F451 WeakPolarHBondContact O-CB 3.5Å; L447-F451 PolarHBondContact O-N 3.44Å
448Q82.4Confident80.1Confident109 Ų109105 Ų10551%0.50952%0.522SS..Hα-helixtrans-64.2-44177.2-174.4172.7-2.300111.4A444 E445 Q446 F451 Q452A444-Q448 WeakPolarHBondContact O-CB 3.39Å; A444-Q448 PolarHBondContact O-N 2.98Å; E445-Q448 PolarHBondContact O-N 3.03Å; Q446-Q448 VanDerWaalsContact C-N 3.33Å; Q446-Q448 PolarHBondContact O-N 3.43Å; Q448-F451 PolarHBondContact O-N 3.48Å; Q448-Q452 WeakPolarHBondContact O-CB 3.49Å; Q448-Q452 VanDerWaalsContact O-CG 3.32Å; Q448-Q452 WeakPolarHBondContact O-CG 3.31Å; Q448-Q452 PolarHBondContact O-N 3.14Å
449L82.6Confident78.9Confident98 Ų98108.2 Ų108.251%0.51354%0.544SS..Hα-helixtrans-62.9-43.2174.3-72.6170.4000111.9E445 Q446 F451 Q452 K453E445-L449 WeakPolarHBondContact O-CB 3.32Å; E445-L449 WeakPolarHBondContact O-CG 3.27Å; E445-L449 PolarHBondContact O-N 3.12Å; Q446-L449 PolarHBondContact O-N 3.37Å; L449-F451 VanDerWaalsContact C-N 3.34Å; L449-Q452 PolarHBondContact O-N 2.94Å; L449-K453 WeakPolarHBondContact O-CG 3.39Å; L449-K453 PolarHBondContact O-N 2.94Å
450S84Confident77.5Confident57 Ų57105.5 Ų105.540%0.39955%0.546SS..Hα-helixtrans-61.3-43174.6-70.60000111.5Q446 L447 K453 L454Q446-S450 WeakPolarHBondContact O-CB 3.36Å; Q446-S450 PolarHBondContact O-N 2.93Å; Q446-S450 PolarHBondContact O-OG 3.12Å; L447-S450 PolarHBondContact O-N 2.83Å; S450-K453 PolarHBondContact O-N 2.96Å; S450-L454 VanDerWaalsContact O-CG 3.29Å; S450-L454 WeakPolarHBondContact O-CG 3.49Å; S450-L454 PolarHBondContact O-N 3.16Å
451F82.3Confident76.4Confident142 Ų142100.8 Ų100.862%0.62354%0.539SS*.Hα-helixtrans-66.4-41.2177.1-170.2-96000112L447 Q448 L449 K453 L454 S455L447-F451 WeakPolarHBondContact O-CB 3.5Å; L447-F451 PolarHBondContact O-N 3.44Å; Q448-F451 PolarHBondContact O-N 3.48Å; L449-F451 VanDerWaalsContact C-N 3.34Å; F451-K453 VanDerWaalsContact C-N 3.29Å; F451-K453 PolarHBondContact O-N 3.06Å; F451-L454 PolarHBondContact O-N 3.09Å; F451-L454 VanDerWaalsContact O-N 3.13Å; F451-S455 WeakPolarHBondContact O-CB 3.42Å; F451-S455 PolarHBondContact O-N 2.86Å; F451-S455 PolarHBondContact O-OG 2.86Å
452Q81.6Confident75.3Confident86 Ų86102 Ų10240%0.40256%0.558SS.*Hα-helixtrans-64.5-30.5174.7-78.6176.6-15.900113.1Q448 L449 L454Q448-Q452 WeakPolarHBondContact O-CB 3.49Å; Q448-Q452 VanDerWaalsContact O-CG 3.32Å; Q448-Q452 WeakPolarHBondContact O-CG 3.31Å; Q448-Q452 PolarHBondContact O-N 3.14Å; L449-Q452 PolarHBondContact O-N 2.94Å; Q452-L454 VanDerWaalsContact C-N 3.33Å
453K83.6Confident74.3Confident185 Ų18599.7 Ų99.780%0.80457%0.568SS**Hα-helixtrans-72.4-29.5173-73.9175.8-178.9-1750112.4L449 S450 F451L449-K453 WeakPolarHBondContact O-CG 3.39Å; L449-K453 PolarHBondContact O-N 2.94Å; S450-K453 PolarHBondContact O-N 2.96Å; F451-K453 VanDerWaalsContact C-N 3.29Å; F451-K453 PolarHBondContact O-N 3.06Å
454L83.5Confident73.7Confident154 Ų154100.2 Ų100.281%0.80658%0.575SS**Hα-helixtrans-88.6-27-178.7-67.6170.9000113.2S450 F451 Q452S450-L454 VanDerWaalsContact O-CG 3.29Å; S450-L454 WeakPolarHBondContact O-CG 3.49Å; S450-L454 PolarHBondContact O-N 3.16Å; F451-L454 PolarHBondContact O-N 3.09Å; F451-L454 VanDerWaalsContact O-N 3.13Å; Q452-L454 VanDerWaalsContact C-N 3.33Å
455S75.9Confident73.5Confident37 Ų37103.3 Ų103.326%0.25959%0.592SS.*THydrogen-bonded Turntrans-102129.3176.254.60000109.3F451 S457F451-S455 WeakPolarHBondContact O-CB 3.42Å; F451-S455 PolarHBondContact O-N 2.86Å; F451-S455 PolarHBondContact O-OG 2.86Å; S455-S457 PolarHBondContact O-N 3.25Å
456S58.9Low73.6Confident123 Ų123102.5 Ų102.586%0.8659%0.594SS**THydrogen-bonded Turntrans-63.588.416740.60000108.4P458S456-P458 VanDerWaalsContact O-CD 3.29Å; S456-P458 WeakPolarHBondContact O-CD 3.48Å
457S57.3Low73.6Confident69 Ų6997.7 Ų97.748%0.48358%0.575SS.*  trans-70.8121.1-168.4-161.80000109.9S455 V459S455-S457 PolarHBondContact O-N 3.25Å; S457-V459 PolarHBondContact O-N 3.02Å
458P57.7Low73.4Confident85 Ų8595.5 Ų95.555%0.55257%0.569SS**  trans-65.8126.2169.725.7-30.4000108.6S456 A460S456-P458 VanDerWaalsContact O-CD 3.29Å; S456-P458 WeakPolarHBondContact O-CD 3.48Å; P458-A460 PolarHBondContact O-N 3.48Å
459V57.3Low73.8Confident132 Ų13294 Ų9480%0.856%0.561SS**  trans-45.3136.1172.8174.60000109.4S457 P461S457-V459 PolarHBondContact O-N 3.02Å; V459-P461 WeakPolarHBondContact O-CD 3.32Å
460A57.6Low74.1Confident73 Ų7391.1 Ų91.160%0.60355%0.549SS*.PPolyproline II helixtrans-59.5122.7174.500000108.3P458P458-A460 PolarHBondContact O-N 3.48Å
461P60.2Low74.5Confident83 Ų8388.7 Ų88.754%0.53953%0.531SS..PPolyproline II helixtrans-59144.3176.724.2-31.3000108.9V459V459-P461 WeakPolarHBondContact O-CD 3.32Å
462P60.4Low74.8Confident115 Ų11587 Ų8775%0.74752%0.52SS*.PPolyproline II helixtrans-56.7149.5177.623.1-32.1000110.5T464P462-T464 PolarHBondContact O-N 3.33Å
463S64.9Low75.3Confident119 Ų11984.7 Ų84.783%0.83251%0.508SS*.  trans-60.2111.717556.10000109.1
464T74Confident75.3Confident90 Ų9076.7 Ų76.755%0.55248%0.478SS*.PPolyproline II helixtrans-68.7146173.548.40000109.5H239 P462H239-T464 PolarHBondContact CE1-O 2.91Å; P462-T464 PolarHBondContact O-N 3.33Å
465P81.9Confident74.5Confident92 Ų9277.6 Ų77.660%0.59748%0.478SS*.PPolyproline II helixtrans-60.7151.4171.427.2-34000110.3S467P465-S467 PolarHBondContact O-N 3.35Å
466P85.1Confident73.7Confident58 Ų5884.1 Ų84.138%0.37751%0.505SS..PPolyproline II helixtrans-58.9133.1175.724.1-31.7000109.9M95 F234 H239M95-P466 HydrophobicContact CG-CB 4.1Å; M95-P466 HydrophobicContact CG-CG 3.72Å; M95-P466 HydrophobicContact SD-CB 3.67Å; M95-P466 HydrophobicContact SD-CG 3.96Å; F234-P466 HydrophobicContact CD1-CB 4.41Å; F234-P466 HydrophobicContact CE1-CB 4.16Å; H239-P466 HydrophobicContact CB-CB 4.37Å
467S87.1Confident73.7Confident32 Ų3281.7 Ų81.722%0.22450%0.499CS..  trans-120.4139.3178.71740000109.8R233 F234 P465 F469R233-S467 VanDerWaalsContact CZ-O 3.26Å; R233-S467 PolarHBondContact NH1-O 2.93Å; R233-S467 PolarHBondContact NH2-O 3.5Å; F234-S467 WeakPolarHBondContact CE1-O 3.42Å; P465-S467 PolarHBondContact O-N 3.35Å; S467-F469 WeakPolarHBondContact CB-O 3.27Å; S467-F469 PolarHBondContact O-N 3.39Å; S467-F469 PolarHBondContact OG-N 2.67Å; S467-F469 VanDerWaalsContact OG-N 3.08Å; S467-F469 PolarHBondContact OG-O 2.8Å
468S83.7Confident73.9Confident67 Ų6784 Ų8447%0.46950%0.502SS..SBendtrans-70.2-18.8170.9-59.60000112.9R233 R307R233-S468 PolarHBondContact NH2-O 3.2Å; R307-S468 PolarHBondContact NH2-O 3.41Å
469F90.4Very high74Confident76 Ų7689.6 Ų89.633%0.33352%0.521SS..  trans-111.2141.8179.4-60.8-89000112.3R307 T310 E311 S467R307-F469 HydrophobicContact CG-CE1 4.01Å; R307-F469 HydrophobicContact CG-CZ 4.32Å; T310-F469 HydrophobicContact CG2-CE1 3.91Å; T310-F469 HydrophobicContact CG2-CZ 4.28Å; E311-F469 HydrophobicContact CB-CD1 4.22Å; E311-F469 WeakPolarHBondContact OE2-CA 3.45Å; E311-F469 WeakPolarHBondContact OE2-CB 3.48Å; E311-F469 WeakPolarHBondContact OE2-CD1 3.38Å; S467-F469 WeakPolarHBondContact CB-O 3.27Å; S467-F469 PolarHBondContact O-N 3.39Å; S467-F469 PolarHBondContact OG-N 2.67Å; S467-F469 VanDerWaalsContact OG-N 3.08Å; S467-F469 PolarHBondContact OG-O 2.8Å
470C89.1Confident74.5Confident39 Ų3986.7 Ų86.726%0.26450%0.503SS..SBendtrans-82.2-32.4174.4-62.90000111.7R233 E311 L547R233-C470 WeakPolarHBondContact CD-SG 3.48Å; E311-C470 VanDerWaalsContact OE1-CA 3.29Å; E311-C470 WeakPolarHBondContact OE1-CA 3.43Å; E311-C470 WeakPolarHBondContact OE1-CB 3.35Å; E311-C470 PolarHBondContact OE1-N 2.85Å; E311-C470 PolarHBondContact OE2-N 3.02Å; E311-C470 VanDerWaalsContact OE2-N 3.17Å; C470-L547 HydrophobicContact CB-CD2 4.27Å
471F92.1Very high75.6Confident5 Ų586.9 Ų86.92%0.02249%0.488CS..SBendtrans-108.8153.1178.4-59-65.9000112.4E311 M401 A404 L405 A408 W473 D482 L543 F546 L547E311-F471 HydrophobicContact CG-CD2 4.33Å; E311-F471 WeakPolarHBondContact O-CD2 3.45Å; E311-F471 VanDerWaalsContact OE1-CD2 3.26Å; E311-F471 WeakPolarHBondContact OE1-CD2 3.47Å; E311-F471 PolarHBondContact OE1-N 3.31Å; M401-F471 HydrophobicContact SD-CE2 4.13Å; M401-F471 HydrophobicContact SD-CZ 4.42Å; A404-F471 HydrophobicContact CB-CD1 4.02Å; A404-F471 HydrophobicContact CB-CE1 3.94Å; L405-F471 HydrophobicContact CB-CZ 4.39Å; L405-F471 HydrophobicContact CD1-CZ 4.19Å; A408-F471 HydrophobicContact CB-CD1 4.33Å; A408-F471 HydrophobicContact CB-CE1 3.54Å; A408-F471 HydrophobicContact CB-CZ 4.22Å; F471-W473 HydrophobicContact CB-CD2 4.35Å; F471-W473 VanDerWaalsContact CB-CE2 3.49Å; F471-W473 HydrophobicContact CB-CH2 4.08Å; F471-W473 HydrophobicContact CB-CZ2 3.32Å; F471-W473 HydrophobicContact CD1-CH2 4.29Å; F471-W473 HydrophobicContact CD1-CZ2 4.15Å; F471-W473 AromaticContact CD2-CZ2 3.78Å; F471-W473 HydrophobicContact CD2-CZ2 3.78Å; F471-W473 HydrophobicContact CG-CH2 4.09Å; F471-W473 AromaticContact CG-CZ2 3.5Å; F471-W473 HydrophobicContact CG-CZ2 3.5Å; F471-D482 WeakPolarHBondContact CA-OD2 3.47Å; F471-D482 HydrophobicContact CD1-CB 4.41Å; F471-L543 HydrophobicContact CE2-CD1 4.41Å; F471-F546 HydrophobicContact CZ-CD1 4.33Å; F471-F546 AromaticContact CZ-CE1 3.98Å; F471-F546 HydrophobicContact CZ-CE1 3.98Å; F471-L547 HydrophobicContact CD2-CD2 3.94Å; F471-L547 HydrophobicContact CE2-CD2 3.5Å; F471-L547 VanDerWaalsContact CE2-CD2 3.5Å; F471-L547 HydrophobicContact CE2-CG 4.43Å; F471-L547 HydrophobicContact CZ-CD2 4.47Å
472R89.4Confident76.9Confident107 Ų10783.9 Ų83.940%0.40447%0.468SS..  trans-122104.6174.2-65-177.3179.8-177.6-1.5110.4D482R472-D482 PolarHBondContact N-OD2 3.44Å; R472-D482 PolarHBondContact O-N 3.39Å
473W91.6Very high78.3Confident37 Ų3778.8 Ų78.814%0.1444%0.437CS..BIsolated β-bridgetrans-95129.8176.9-46.8117.8000109.6T310 E311 N313 T400 M401 A404 F471 D482 H487T310-W473 VanDerWaalsContact O-CD1 3.22Å; T310-W473 PolarHBondContact O-NE1 3.15Å; E311-W473 PolarHBondContact O-NE1 3.45Å; N313-W473 HydrophobicContact CB-CD2 3.8Å; N313-W473 HydrophobicContact CB-CE3 4.27Å; N313-W473 HydrophobicContact CB-CG 4.23Å; N313-W473 HydrophobicContact CB-CH2 4.23Å; N313-W473 HydrophobicContact CB-CZ2 3.78Å; N313-W473 HydrophobicContact CB-CZ3 4.45Å; N313-W473 VanDerWaalsContact ND2-CE3 3.29Å; T400-W473 HydrophobicContact CG2-CZ3 4.32Å; M401-W473 HydrophobicContact CE-CH2 3.37Å; M401-W473 HydrophobicContact CE-CZ2 3.2Å; M401-W473 HydrophobicContact CE-CZ3 4.41Å; M401-W473 HydrophobicContact SD-CH2 3.85Å; M401-W473 HydrophobicContact SD-CZ2 3.85Å; A404-W473 HydrophobicContact CB-CH2 3.45Å; A404-W473 VanDerWaalsContact CB-CH2 3.45Å; A404-W473 HydrophobicContact CB-CZ3 3.88Å; F471-W473 HydrophobicContact CB-CD2 4.35Å; F471-W473 VanDerWaalsContact CB-CE2 3.49Å; F471-W473 HydrophobicContact CB-CH2 4.08Å; F471-W473 HydrophobicContact CB-CZ2 3.32Å; F471-W473 HydrophobicContact CD1-CH2 4.29Å; F471-W473 HydrophobicContact CD1-CZ2 4.15Å; F471-W473 AromaticContact CD2-CZ2 3.78Å; F471-W473 HydrophobicContact CD2-CZ2 3.78Å; F471-W473 HydrophobicContact CG-CH2 4.09Å; F471-W473 AromaticContact CG-CZ2 3.5Å; F471-W473 HydrophobicContact CG-CZ2 3.5Å; W473-D482 HydrophobicContact CE3-CB 4.31Å; W473-D482 HydrophobicContact CH2-CB 4.32Å; W473-D482 HydrophobicContact CZ3-CB 3.93Å; W473-D482 WeakPolarHBondContact CZ3-O 3.49Å; W473-H487 AromaticContact CD1-NE2 3.81Å
474G83.6Confident79.6Confident17 Ų1775.4 Ų75.418%0.17541%0.412CS..  trans-168.7-170.7-173.500000113.1W481 G483 P484G474-W481 WeakPolarHBondContact O-CZ3 3.36Å; G474-G483 PolarHBondContact N-O 2.87Å; G474-P484 WeakPolarHBondContact O-CA 3.47Å
475E67.1Low80.5Confident174 Ų17472.8 Ų72.881%0.81340%0.397SS*.  trans-82.7153.9175.9-66.1-174.3177.100111.5G477E475-G477 PolarHBondContact O-N 3.1Å; E475-G477 VanDerWaalsContact O-N 3.12Å
476E59Low81Confident174 Ų17468.4 Ų68.481%0.81337%0.369SS*.THydrogen-bonded Turntrans-65.8108.4-178.7-172.8163.6-147.200110.4W481E476-W481 HydrophobicContact CB-CH2 3.59Å; E476-W481 HydrophobicContact CB-CZ2 3.74Å; E476-W481 HydrophobicContact CB-CZ3 4.27Å; E476-W481 HydrophobicContact CG-CH2 3.89Å; E476-W481 HydrophobicContact CG-CZ2 3.6Å
477G57.5Low81.2Confident72 Ų7266.9 Ų66.974%0.74236%0.357SS*.THydrogen-bonded Turntrans150-13.1179.800000116.1E475E475-G477 PolarHBondContact O-N 3.1Å; E475-G477 VanDerWaalsContact O-N 3.12Å
478E61.8Low81.3Confident116 Ų11670.7 Ų70.754%0.54237%0.371SS..  trans-75.2143.7172.6-64.6-170.9173.600111.9V480 W481E478-V480 PolarHBondContact O-N 3.1Å; E478-V480 VanDerWaalsContact O-N 3.12Å; E478-W481 HydrophobicContact CB-CB 4.33Å; E478-W481 VanDerWaalsContact O-CD1 3.31Å
479E59.2Low81.7Confident203 Ų20368 Ų6895%0.94935%0.351SS*.SBendtrans-60.1-25.8-176.9-66.9-173.4166.800113.4
480V68.6Low81.7Confident72 Ų7265.9 Ų65.944%0.43634%0.344SS..SBendtrans-143.290.1178.8-173.40000109.5E478E478-V480 PolarHBondContact O-N 3.1Å; E478-V480 VanDerWaalsContact O-N 3.12Å
481W80.4Confident81.7Confident76 Ų7664.1 Ų64.129%0.28833%0.332SS..  trans-125.2148.1172.472.4-57.1000109.9G474 E476 E478 G483 P484G474-W481 WeakPolarHBondContact O-CZ3 3.36Å; E476-W481 HydrophobicContact CB-CH2 3.59Å; E476-W481 HydrophobicContact CB-CZ2 3.74Å; E476-W481 HydrophobicContact CB-CZ3 4.27Å; E476-W481 HydrophobicContact CG-CH2 3.89Å; E476-W481 HydrophobicContact CG-CZ2 3.6Å; E478-W481 HydrophobicContact CB-CB 4.33Å; E478-W481 VanDerWaalsContact O-CD1 3.31Å; W481-G483 VanDerWaalsContact CE3-O 3.31Å; W481-P484 HydrophobicContact CZ3-CB 4.41Å
482D88.8Confident81.2Confident20 Ų2069 Ų6911%0.10736%0.359CS..  trans-101.81.2-176.3-61.8-55.9000112.7A404 R411 F471 R472 W473A404-D482 HydrophobicContact CB-CB 3.91Å; R411-D482 IonicContact CZ-OD1 3.31Å; R411-D482 IonicContact NH1-OD1 3.04Å; R411-D482 PolarHBondContact NH1-OD1 3.27Å; R411-D482 IonicContact NH1-OD2 3.96Å; R411-D482 IonicContact NH2-OD1 3.4Å; R411-D482 PolarHBondContact NH2-OD1 3.14Å; R411-D482 VanDerWaalsContact NH2-OD1 3.11Å; F471-D482 WeakPolarHBondContact CA-OD2 3.47Å; F471-D482 HydrophobicContact CD1-CB 4.41Å; R472-D482 PolarHBondContact N-OD2 3.44Å; R472-D482 PolarHBondContact O-N 3.39Å; W473-D482 HydrophobicContact CE3-CB 4.31Å; W473-D482 HydrophobicContact CH2-CB 4.32Å; W473-D482 HydrophobicContact CZ3-CB 3.93Å; W473-D482 WeakPolarHBondContact CZ3-O 3.49Å
483G89.9Confident80.7Confident9 Ų964.4 Ų64.49%0.09334%0.343CS..BIsolated β-bridgetrans139.9177.5175.100000113.4G474 W481G474-G483 PolarHBondContact N-O 2.87Å; W481-G483 VanDerWaalsContact CE3-O 3.31Å
484P91.3Very high80.2Confident47 Ų4762.7 Ų62.731%0.30534%0.336SS..  trans-66.2146.6-179.827.8-34.9000111.3N313 W396 G474 W481N313-P484 PolarHBondContact ND2-O 3.48Å; W396-P484 HydrophobicContact CZ2-CG 3.96Å; G474-P484 WeakPolarHBondContact O-CA 3.47Å; W481-P484 HydrophobicContact CZ3-CB 4.41Å
485S91.9Very high80.3Confident36 Ų3662.8 Ų62.825%0.25233%0.334SS..  trans-72.8137.4172.1-177.40000111.5H487 H488S485-H487 PolarHBondContact OG-CD2 3.44Å; S485-H488 PolarHBondContact O-CE1 2.65Å; S485-H488 PolarHBondContact O-ND1 2.85Å
486L92.6Very high81Confident0 Ų062.6 Ų62.60%033%0.325CS..  trans-117.65.8-177.8-54.7179.3000112.6N313 W396 W397 H488 L489N313-L486 WeakPolarHBondContact O-CB 3.27Å; N313-L486 WeakPolarHBondContact OD1-CB 3.25Å; N313-L486 PolarHBondContact OD1-N 3.49Å; W396-L486 HydrophobicContact CD2-CD2 4.26Å; W396-L486 HydrophobicContact CE3-CD2 3.75Å; W396-L486 HydrophobicContact CH2-CD2 3.09Å; W396-L486 HydrophobicContact CZ2-CD2 3.63Å; W396-L486 HydrophobicContact CZ3-CD2 3.18Å; W397-L486 HydrophobicContact CB-CD1 3.94Å; W397-L486 HydrophobicContact CG-CD1 4.28Å; L486-H488 VanDerWaalsContact C-N 3.25Å; L486-H488 PolarHBondContact O-N 3.17Å; L486-L489 HydrophobicContact CB-CD1 3.89Å; L486-L489 HydrophobicContact CD2-CD1 3.84Å; L486-L489 HydrophobicContact CG-CD1 4.41Å; L486-L489 WeakPolarHBondContact O-CB 3.42Å; L486-L489 WeakPolarHBondContact O-CG 3.32Å; L486-L489 PolarHBondContact O-N 3.34Å
487H90.8Very high81.9Confident26 Ų2662 Ų6212%0.1232%0.323CS..THydrogen-bonded Turntrans-62.8-31.7-176.1-58.9-44.8000113.6T310 N313 L314 D316 W473 S485 L489T310-H487 WeakPolarHBondContact CA-CE1 3.43Å; T310-H487 PolarHBondContact O-CE1 2.89Å; T310-H487 PolarHBondContact O-NE2 3.45Å; N313-H487 VanDerWaalsContact CA-CE1 3.45Å; N313-H487 WeakPolarHBondContact CA-CE1 3.36Å; L314-H487 PolarHBondContact O-ND1 3.3Å; D316-H487 PolarHBondContact N-O 3.4Å; W473-H487 AromaticContact CD1-NE2 3.81Å; S485-H487 PolarHBondContact OG-CD2 3.44Å; H487-L489 VanDerWaalsContact C-N 3.27Å; H487-L489 PolarHBondContact O-N 3.07Å
488H89Confident82.4Confident111 Ų11168.2 Ų68.251%0.51432%0.324SS..THydrogen-bonded Turntrans-80.6-1.2-176.365.1-90.2000114.1S485 L486S485-H488 PolarHBondContact O-CE1 2.65Å; S485-H488 PolarHBondContact O-ND1 2.85Å; L486-H488 VanDerWaalsContact C-N 3.25Å; L486-H488 PolarHBondContact O-N 3.17Å
489L91.3Very high82.9Confident10 Ų1065.8 Ų65.85%0.05233%0.33CS..  trans-80.2147.7-178.7-58.7178000111.5P315 N390 F392 W396 L486 H487P315-L489 WeakPolarHBondContact CB-O 3.19Å; P315-L489 HydrophobicContact CG-CB 4.5Å; N390-L489 HydrophobicContact CB-CD2 3.96Å; N390-L489 CarbonylContact O-C 3.6Å; N390-L489 VanDerWaalsContact O-CA 3.26Å; N390-L489 WeakPolarHBondContact O-CA 3.37Å; N390-L489 WeakPolarHBondContact O-CB 3.19Å; F392-L489 HydrophobicContact CB-CB 3.99Å; F392-L489 HydrophobicContact CD2-CB 4.2Å; F392-L489 HydrophobicContact CD2-CD1 3.92Å; W396-L489 HydrophobicContact CE3-CD1 4.22Å; W396-L489 HydrophobicContact CZ3-CD1 3.71Å; L486-L489 HydrophobicContact CB-CD1 3.89Å; L486-L489 HydrophobicContact CD2-CD1 3.84Å; L486-L489 HydrophobicContact CG-CD1 4.41Å; L486-L489 WeakPolarHBondContact O-CB 3.42Å; L486-L489 WeakPolarHBondContact O-CG 3.32Å; L486-L489 PolarHBondContact O-N 3.34Å; H487-L489 VanDerWaalsContact C-N 3.27Å; H487-L489 PolarHBondContact O-N 3.07Å
490T89.8Confident83.4Confident32 Ų3261.8 Ų61.820%0.19633%0.332CS..BIsolated β-bridgetrans-99151.6-176.771.70000112.6E317 N390 F392 D492E317-T490 WeakPolarHBondContact OE1-CG2 3.06Å; N390-T490 PolarHBondContact O-N 2.83Å; F392-T490 WeakPolarHBondContact CB-O 3.38Å; F392-T490 PolarHBondContact N-O 2.92Å; T490-D492 VanDerWaalsContact C-N 3.31Å; T490-D492 WeakPolarHBondContact CB-OD2 3.31Å; T490-D492 PolarHBondContact O-N 3.24Å; T490-D492 PolarHBondContact OG1-OD2 2.67Å
491L89.4Confident83.5Confident2 Ų260.9 Ų60.91%0.0133%0.328CS..  trans-89.413.7-178.3-64.7174.9000113.8P315 E317 L318 L364 F365 F392 S493 S494 V495P315-L491 HydrophobicContact CB-CD2 4.28Å; P315-L491 HydrophobicContact CB-CG 4.49Å; P315-L491 HydrophobicContact CG-CD2 4.19Å; E317-L491 HydrophobicContact CB-CD1 3.67Å; E317-L491 HydrophobicContact CB-CG 3.98Å; E317-L491 WeakPolarHBondContact OE2-CB 3.17Å; E317-L491 PolarHBondContact OE2-N 3.48Å; L318-L491 HydrophobicContact CD2-CD1 4.08Å; L318-L491 HydrophobicContact CG-CD1 4.05Å; L318-L491 HydrophobicContact CG-CD2 4.45Å; L364-L491 HydrophobicContact CD1-CD1 3.89Å; F365-L491 HydrophobicContact CE2-CD2 4.38Å; F365-L491 HydrophobicContact CZ-CD2 3.98Å; F392-L491 HydrophobicContact CB-CD2 4.39Å; F392-L491 HydrophobicContact CD1-CD2 4.4Å; L491-S493 PolarHBondContact O-N 3.09Å; L491-S494 PolarHBondContact O-N 2.62Å; L491-S494 PolarHBondContact O-OG 2.89Å; L491-V495 HydrophobicContact CB-CG2 4.16Å; L491-V495 PolarHBondContact O-N 3.48Å
492D81.9Confident83.6Confident108 Ų10860.6 Ų60.658%0.57833%0.332SS*.THydrogen-bonded Turntrans-56.3-25.5-172.6-65.5-38.3000114.7T490T490-D492 VanDerWaalsContact C-N 3.31Å; T490-D492 WeakPolarHBondContact CB-OD2 3.31Å; T490-D492 PolarHBondContact O-N 3.24Å; T490-D492 PolarHBondContact OG1-OD2 2.67Å
493S78.9Confident83.4Confident11 Ų1164.1 Ų64.18%0.07735%0.348CS..THydrogen-bonded Turntrans-74.7-30175.354.90000113.1S391 L491S391-S493 WeakPolarHBondContact OG-CB 3.23Å; S391-S493 PolarHBondContact OG-OG 2.97Å; S391-S493 VanDerWaalsContact OG-OG 3.12Å; L491-S493 PolarHBondContact O-N 3.09Å
494S81.1Confident83.2Confident0 Ų064.6 Ų64.60%035%0.35CS..THydrogen-bonded Turntrans-99.1-3.6-173.568.60000114L491 A505L491-S494 PolarHBondContact O-N 2.62Å; L491-S494 PolarHBondContact O-OG 2.89Å; S494-A505 VanDerWaalsContact O-CB 3.28Å; S494-A505 WeakPolarHBondContact O-CB 3.41Å; S494-A505 PolarHBondContact O-N 2.73Å
495V86.7Confident82.8Confident20 Ų2063 Ų6312%0.12134%0.34CS..EExtended strand (participates in β ladder)trans-128.2144.9-173-177.90000110.6W321 L364 L491 L502 Q503W321-V495 HydrophobicContact CH2-CG1 4.46Å; W321-V495 HydrophobicContact CZ2-CB 4.44Å; W321-V495 HydrophobicContact CZ2-CG1 3.86Å; W321-V495 HydrophobicContact CZ2-CG2 3.62Å; L364-V495 HydrophobicContact CD2-CG2 3.79Å; L491-V495 HydrophobicContact CB-CG2 4.16Å; L491-V495 PolarHBondContact O-N 3.48Å; V495-L502 HydrophobicContact CG1-CB 3.63Å; V495-L502 HydrophobicContact CG1-CD1 4.48Å; V495-L502 HydrophobicContact CG1-CD2 3.57Å; V495-L502 HydrophobicContact CG1-CG 4.05Å; V495-Q503 CarbonylContact C-O 3.58Å; V495-Q503 WeakPolarHBondContact CA-O 3.45Å; V495-Q503 WeakPolarHBondContact CG1-O 3.31Å
496R81.8Confident82.3Confident169 Ų16962.8 Ų62.864%0.63834%0.336SS*.EExtended strand (participates in β ladder)trans-115.6130.4172-68.8176.9-176.8-178.42.2109.7Q503 A505R496-Q503 PolarHBondContact N-O 2.77Å; R496-Q503 PolarHBondContact O-N 2.77Å; R496-A505 HydrophobicContact CG-CB 4.22Å
497Q77.4Confident81.8Confident163 Ų16368.6 Ų68.676%0.76237%0.374SS*.EExtended strand (participates in β ladder)trans-78.4122.2172-164.9173.320.100109.7L502Q497-L502 HydrophobicContact CB-CD2 4.35Å; Q497-L502 HydrophobicContact CG-CD2 4.47Å
498R68.6Low81.7Confident201 Ų20173.4 Ų73.476%0.75840%0.397SS*.EExtended strand (participates in β ladder)trans-127.298.9174.3-157.8-179.5-152.5-178.37.1109S501 Q503R498-S501 PolarHBondContact N-O 2.69Å; R498-S501 PolarHBondContact O-N 3.04Å; R498-S501 PolarHBondContact O-OG 3.14Å; R498-S501 VanDerWaalsContact O-OG 3.07Å; R498-Q503 HydrophobicContact CB-CG 4.42Å
499G71.3Confident81.8Confident66 Ų6670.2 Ų70.268%0.6838%0.381SS*.THydrogen-bonded Turntrans62.8-134.2-170.300000111S501G499-S501 VanDerWaalsContact C-N 3.27Å; G499-S501 PolarHBondContact O-N 2.76Å
500A68.9Low82Confident118 Ų11872.2 Ų72.298%0.97539%0.387SS*.THydrogen-bonded Turntrans-81.21176.300000114.3
501S71.9Confident82Confident53 Ų5374.9 Ų74.937%0.37140%0.398SS..EExtended strand (participates in β ladder)trans-114.2137.8-17672.90000112.5R498 G499R498-S501 PolarHBondContact N-O 2.69Å; R498-S501 PolarHBondContact O-N 3.04Å; R498-S501 PolarHBondContact O-OG 3.14Å; R498-S501 VanDerWaalsContact O-OG 3.07Å; G499-S501 VanDerWaalsContact C-N 3.27Å; G499-S501 PolarHBondContact O-N 2.76Å
502L81.3Confident81.8Confident71 Ų7176 Ų7637%0.37240%0.404SS..EExtended strand (participates in β ladder)trans-86.2126.7171.5-70.8172000109.5W321 R324 V495 Q497W321-L502 HydrophobicContact CH2-CB 4.4Å; W321-L502 WeakPolarHBondContact CH2-O 3.41Å; W321-L502 HydrophobicContact CZ2-CB 4.13Å; R324-L502 PolarHBondContact NH1-O 3.39Å; V495-L502 HydrophobicContact CG1-CB 3.63Å; V495-L502 HydrophobicContact CG1-CD1 4.48Å; V495-L502 HydrophobicContact CG1-CD2 3.57Å; V495-L502 HydrophobicContact CG1-CG 4.05Å; Q497-L502 HydrophobicContact CB-CD2 4.35Å; Q497-L502 HydrophobicContact CG-CD2 4.47Å
503Q85.1Confident81.7Confident93 Ų9374.5 Ų74.544%0.43541%0.408SS..EExtended strand (participates in β ladder)trans-117.8146.5176.8-64.5-65.9-34.200109.7V495 R496 R498V495-Q503 CarbonylContact C-O 3.58Å; V495-Q503 WeakPolarHBondContact CA-O 3.45Å; V495-Q503 WeakPolarHBondContact CG1-O 3.31Å; R496-Q503 PolarHBondContact N-O 2.77Å; R496-Q503 PolarHBondContact O-N 2.77Å; R498-Q503 HydrophobicContact CB-CG 4.42Å
504P85.4Confident81.8Confident19 Ų1976.1 Ų76.112%0.12342%0.415CS..EExtended strand (participates in β ladder)trans-56144172.2-21.833.7000110.7W321 L363 L364 N506W321-P504 HydrophobicContact CH2-CG 3.99Å; W321-P504 HydrophobicContact CZ3-CG 3.81Å; L363-P504 HydrophobicContact CD1-CG 4.02Å; L363-P504 HydrophobicContact CD2-CG 4.2Å; L363-P504 HydrophobicContact CG-CG 3.75Å; L363-P504 WeakPolarHBondContact O-CB 3.18Å; L364-P504 HydrophobicContact CD2-CB 4.35Å; L364-P504 HydrophobicContact CD2-CG 4.5Å; P504-N506 WeakPolarHBondContact CB-O 3.02Å; P504-N506 PolarHBondContact O-N 2.78Å
505A82.8Confident81.4Confident13 Ų1386.3 Ų86.311%0.10745%0.453CS..SBendtrans-61.5-31.517800000111.9S494 R496S494-A505 VanDerWaalsContact O-CB 3.28Å; S494-A505 WeakPolarHBondContact O-CB 3.41Å; S494-A505 PolarHBondContact O-N 2.73Å; R496-A505 HydrophobicContact CG-CB 4.22Å
506N81.7Confident80.6Confident32 Ų3289.8 Ų89.817%0.17148%0.484CS..  trans-103.8121.5172.3-167.6-21.3000111.2P504 E508P504-N506 WeakPolarHBondContact CB-O 3.02Å; P504-N506 PolarHBondContact O-N 2.78Å; N506-E508 VanDerWaalsContact C-N 3.32Å; N506-E508 WeakPolarHBondContact OD1-CB 3.39Å; N506-E508 PolarHBondContact OD1-N 3.37Å
507P82.4Confident80.1Confident123 Ų12384.3 Ų84.380%0.79947%0.472SS*.  trans-77.3-12.8177.232.3-36.3000114.4
508E88.7Confident79.8Confident127 Ų12784.1 Ų84.159%0.59347%0.468SS*.  trans-85.9139.5-177.7-61.2-171.9160.500112.3K366 N506K366-E508 IonicContact NZ-OE2 3.43Å; N506-E508 VanDerWaalsContact C-N 3.32Å; N506-E508 WeakPolarHBondContact OD1-CB 3.39Å; N506-E508 PolarHBondContact OD1-N 3.37Å
509Y91.9Very high79.7Confident44 Ų4480.5 Ų80.517%0.17347%0.471CS..  trans-129.3123.3175.5-174.2-90.2000109.8K362 L363 H511 E563 L567K362-Y509 HydrophobicContact CB-CE2 3.68Å; L363-Y509 HydrophobicContact CB-CE2 4.49Å; L363-Y509 HydrophobicContact CD1-CD2 4.19Å; Y509-H511 HydrophobicContact CE1-CB 4.16Å; Y509-E563 HydrophobicContact CE1-CG 4.48Å; Y509-E563 PolarHBondContact OH-OE1 2.87Å; Y509-L567 HydrophobicContact CD1-CD1 4.1Å; Y509-L567 HydrophobicContact CD1-CD2 4.2Å; Y509-L567 HydrophobicContact CE1-CD1 3.99Å
510W93.9Very high79.3Confident52 Ų5288.2 Ų88.220%0.19748%0.479CS..  trans-93.3146.4174.872.6-94.1000111.3K362 K366 L367 P512 L533 P534 Y537K362-W510 HydrophobicContact CD-CZ2 4.2Å; K362-W510 VanDerWaalsContact CE-O 3.3Å; K362-W510 WeakPolarHBondContact CE-O 3.12Å; K362-W510 PolarHBondContact NZ-O 2.9Å; K366-W510 PolarHBondContact O-NE1 2.65Å; L367-W510 WeakPolarHBondContact O-CZ2 3.4Å; L367-W510 PolarHBondContact O-NE1 3.36Å; W510-P512 HydrophobicContact CZ3-CG 4.08Å; W510-L533 HydrophobicContact CH2-CD2 4.44Å; W510-L533 HydrophobicContact CZ3-CD2 4.21Å; W510-P534 HydrophobicContact CH2-CG 4.05Å; W510-P534 HydrophobicContact CZ2-CG 3.78Å; W510-Y537 AromaticContact CH2-CD1 3.64Å; W510-Y537 HydrophobicContact CH2-CD1 3.64Å; W510-Y537 HydrophobicContact CH2-CD2 4.09Å; W510-Y537 AromaticContact CH2-CE1 4Å; W510-Y537 HydrophobicContact CH2-CE1 4Å; W510-Y537 HydrophobicContact CH2-CE2 4.44Å; W510-Y537 AromaticContact CH2-CG 3.66Å; W510-Y537 HydrophobicContact CH2-CG 3.66Å; W510-Y537 HydrophobicContact CZ2-CD1 4.34Å; W510-Y537 HydrophobicContact CZ2-CD2 4.18Å; W510-Y537 AromaticContact CZ2-CG 3.9Å; W510-Y537 HydrophobicContact CZ2-CG 3.9Å
511H91.3Very high78.9Confident88 Ų8891 Ų9141%0.40747%0.47SS..  trans-145148.317262.269.8000109.8Y509 L514 L567Y509-H511 HydrophobicContact CE1-CB 4.16Å; H511-L514 HydrophobicContact CB-CD1 4.4Å; H511-L514 HydrophobicContact CB-CD2 4.36Å; H511-L514 HydrophobicContact CB-CG 4.37Å; H511-L567 HydrophobicContact CB-CD1 4.3Å; H511-L567 VanDerWaalsContact CD2-CD1 3.42Å; H511-L567 WeakPolarHBondContact CD2-CD1 3.21Å
512P85.3Confident78.7Confident24 Ų2490.2 Ų90.216%0.15646%0.464CS..  trans-59.4166.7166.7-21.134.4000110.9W510 L514 L533 Y556 L560W510-P512 HydrophobicContact CZ3-CG 4.08Å; P512-L514 WeakPolarHBondContact O-CG 3.29Å; P512-L514 PolarHBondContact O-N 3.38Å; P512-L533 HydrophobicContact CG-CD2 3.91Å; P512-Y556 HydrophobicContact CG-CE2 4.21Å; P512-Y556 WeakPolarHBondContact CG-OH 3.15Å; P512-L560 HydrophobicContact CB-CD2 4.31Å; P512-L560 HydrophobicContact CG-CD2 4.08Å
513A78.9Confident78.1Confident78 Ų7895.8 Ų95.865%0.64549%0.485SS*.  trans-58.8108.5177.400000110.9R515A513-R515 HydrophobicContact CB-CG 4.42Å; A513-R515 PolarHBondContact O-N 2.9Å
514L81.1Confident77.6Confident44 Ų4494.6 Ų94.623%0.2349%0.487CS..  trans-7641.7-175.8-60.8178.2000113.2H511 P512 A516 L560 E563 R564 L567H511-L514 HydrophobicContact CB-CD1 4.4Å; H511-L514 HydrophobicContact CB-CD2 4.36Å; H511-L514 HydrophobicContact CB-CG 4.37Å; P512-L514 WeakPolarHBondContact O-CG 3.29Å; P512-L514 PolarHBondContact O-N 3.38Å; L514-A516 PolarHBondContact O-N 3.47Å; L514-L560 HydrophobicContact CD2-CD2 3.91Å; L514-E563 HydrophobicContact CD2-CB 4.17Å; L514-R564 HydrophobicContact CB-CG 4.02Å; L514-R564 HydrophobicContact CD1-CG 4.46Å; L514-R564 HydrophobicContact CD2-CG 4.26Å; L514-R564 HydrophobicContact CG-CG 4.47Å; L514-L567 HydrophobicContact CD1-CD1 3.78Å
515R73.8Confident77.5Confident214 Ų21496.9 Ų96.981%0.80850%0.496SS*.PPolyproline II helixtrans-64.9130.6178-65.6-176.6-178.8-179.62109A513 C517A513-R515 HydrophobicContact CB-CG 4.42Å; A513-R515 PolarHBondContact O-N 2.9Å; R515-C517 PolarHBondContact O-N 2.72Å
516A68.9Low77.9Confident93 Ų9396.8 Ų96.877%0.76949%0.493SS*.PPolyproline II helixtrans-69118.6175.800000109.3L514L514-A516 PolarHBondContact O-N 3.47Å
517C71.8Confident78.2Confident55 Ų5599 Ų9937%0.37252%0.515SS..PPolyproline II helixtrans-88.2144.9174-147.30000111.1R515 P519 C522 H525R515-C517 PolarHBondContact O-N 2.72Å; C517-P519 VanDerWaalsContact O-CD 3.28Å; C517-P519 WeakPolarHBondContact O-CD 3.17Å; C517-C522 HydrophobicContact CB-CB 3.82Å; C517-C522 WeakPolarHBondContact CB-SG 3.19Å; C517-C522 WeakPolarHBondContact SG-CB 3.41Å; C517-C522 CovalentContact SG-SG 2.01Å; C517-C522 PolarHBondContact SG-SG 2.96Å; C517-H525 PolarHBondContact SG-NE2 3.32Å
518K71.3Confident78.4Confident158 Ų158100 Ų10069%0.68751%0.509SS*.  trans-77.8113.5174.3-73.1-176.3-179.4175.10109.1R520 F521 C522K518-R520 PolarHBondContact O-N 3.19Å; K518-F521 HydrophobicContact CB-CD2 4.35Å; K518-F521 PolarHBondContact O-N 3.42Å; K518-F521 VanDerWaalsContact O-N 3.08Å; K518-C522 WeakPolarHBondContact O-CB 3.44Å; K518-C522 PolarHBondContact O-N 3.38Å
519P65.3Low78.5Confident126 Ų12695.7 Ų95.782%0.81849%0.492SS*.THydrogen-bonded Turntrans-59.6-23.9-169.7-25.434.3000115.2C517C517-P519 VanDerWaalsContact O-CD 3.28Å; C517-P519 WeakPolarHBondContact O-CD 3.17Å
520R63.5Low78.5Confident227 Ų22797 Ų9786%0.85750%0.499SS*.THydrogen-bonded Turntrans-78-20.7-178.6-62-171.2-160.8175.94.2114.4K518K518-R520 PolarHBondContact O-N 3.19Å
521F59.9Low78.5Confident177 Ų177100 Ų10078%0.77652%0.523SS*.THydrogen-bonded Turntrans-124.6-1.8-171.6-57.4-72.4000112.9K518K518-F521 HydrophobicContact CB-CD2 4.35Å; K518-F521 PolarHBondContact O-N 3.42Å; K518-F521 VanDerWaalsContact O-N 3.08Å
522C69.3Low78.6Confident37 Ų37101 Ų10125%0.2554%0.536CS..PPolyproline II helixtrans-102.7124.1-171.7-166.70000110.4C517 K518 H525C517-C522 HydrophobicContact CB-CB 3.82Å; C517-C522 WeakPolarHBondContact CB-SG 3.19Å; C517-C522 WeakPolarHBondContact SG-CB 3.41Å; C517-C522 CovalentContact SG-SG 2.01Å; C517-C522 PolarHBondContact SG-SG 2.96Å; K518-C522 WeakPolarHBondContact O-CB 3.44Å; K518-C522 PolarHBondContact O-N 3.38Å; C522-H525 PolarHBondContact SG-NE2 3.3Å
523K68.2Low79Confident188 Ų188100.4 Ų100.482%0.81753%0.531SS*.PPolyproline II helixtrans-91167.4167.4-66.5-178.6-178.6176.10109.1H525K523-H525 PolarHBondContact O-N 3.13Å
524S74.9Confident79.9Confident67 Ų6797.7 Ų97.747%0.46951%0.507SS..PPolyproline II helixtrans-54.7122.4173.8162.80000110Y526S524-Y526 VanDerWaalsContact C-N 3.29Å; S524-Y526 PolarHBondContact OG-N 3.02Å
525H83Confident80.6Confident67 Ų67101 Ų10131%0.3152%0.517SS..  trans-83.2-8.7179.1-71.1-68.8000113.5C517 C522 K523 A527 E528 V529 E557C517-H525 PolarHBondContact SG-NE2 3.32Å; C522-H525 PolarHBondContact SG-NE2 3.3Å; K523-H525 PolarHBondContact O-N 3.13Å; H525-A527 VanDerWaalsContact C-N 3.34Å; H525-A527 PolarHBondContact O-N 2.85Å; H525-E528 IonicContact ND1-OE2 2.68Å; H525-E528 PolarHBondContact ND1-OE2 3.29Å; H525-E528 WeakPolarHBondContact O-CB 3.06Å; H525-E528 PolarHBondContact O-N 2.99Å; H525-V529 PolarHBondContact O-N 3.02Å; H525-E557 PolarHBondContact N-OE1 3.39Å; H525-E557 VanDerWaalsContact N-OE1 3.16Å
526Y89.9Confident81.7Confident12 Ų1291.3 Ų91.35%0.04748%0.48CS..Hα-helixtrans-49.8-49.3-172.6-177.9-108.3000113.6S524 E528 V529 E530 L533 L541 P552 Y556S524-Y526 VanDerWaalsContact C-N 3.29Å; S524-Y526 PolarHBondContact OG-N 3.02Å; Y526-E528 PolarHBondContact O-N 3.45Å; Y526-E528 VanDerWaalsContact O-N 3.13Å; Y526-V529 WeakPolarHBondContact O-CG2 3.21Å; Y526-V529 PolarHBondContact O-N 2.91Å; Y526-V529 VanDerWaalsContact O-N 3.07Å; Y526-E530 HydrophobicContact CE1-CB 4.27Å; Y526-E530 HydrophobicContact CE1-CG 4.02Å; Y526-E530 WeakPolarHBondContact CE1-OE2 3.3Å; Y526-E530 HydrophobicContact CE2-CB 4.5Å; Y526-E530 HydrophobicContact CE2-CG 4.49Å; Y526-E530 WeakPolarHBondContact O-CB 3.3Å; Y526-E530 PolarHBondContact O-N 3.4Å; Y526-L533 HydrophobicContact CD2-CD1 4.33Å; Y526-L533 HydrophobicContact CE2-CD1 3.95Å; Y526-L541 HydrophobicContact CD2-CD1 4.47Å; Y526-L541 HydrophobicContact CE2-CD1 3.61Å; Y526-P552 HydrophobicContact CD1-CB 4.36Å; Y526-P552 HydrophobicContact CE1-CB 3.7Å; Y526-Y556 AromaticContact CD2-CD1 3.78Å; Y526-Y556 HydrophobicContact CD2-CD1 3.78Å; Y526-Y556 AromaticContact CD2-CD2 3.91Å; Y526-Y556 HydrophobicContact CD2-CD2 3.91Å; Y526-Y556 HydrophobicContact CD2-CE1 4.41Å; Y526-Y556 AromaticContact CD2-CG 3.49Å; Y526-Y556 HydrophobicContact CD2-CG 3.49Å; Y526-Y556 VanDerWaalsContact CD2-CG 3.49Å; Y526-Y556 HydrophobicContact CE2-CD2 4.28Å; Y526-Y556 HydrophobicContact CE2-CG 4.21Å; Y526-Y556 HydrophobicContact CG-CD1 4.34Å; Y526-Y556 HydrophobicContact CG-CG 4.35Å
527A89Confident83Confident78 Ų7886.9 Ų86.965%0.64544%0.444SS*.Hα-helixtrans-60.4-27.6-177.300000113.9H525H525-A527 VanDerWaalsContact C-N 3.34Å; H525-A527 PolarHBondContact O-N 2.85Å
528E87.1Confident84.3Confident143 Ų14384.7 Ų84.767%0.66843%0.429SS*.Hα-helixtrans-79.1-34.6178.6-62169.6178.400111.6H525 Y526H525-E528 IonicContact ND1-OE2 2.68Å; H525-E528 PolarHBondContact ND1-OE2 3.29Å; H525-E528 WeakPolarHBondContact O-CB 3.06Å; H525-E528 PolarHBondContact O-N 2.99Å; Y526-E528 PolarHBondContact O-N 3.45Å; Y526-E528 VanDerWaalsContact O-N 3.13Å
529V90Very high85.6Confident38 Ų3878.3 Ų78.323%0.2340%0.4CS..Hα-helixtrans-98.9-14.6-174-58.60000113.2H525 Y526 V531 T532 L533 Y556H525-V529 PolarHBondContact O-N 3.02Å; Y526-V529 WeakPolarHBondContact O-CG2 3.21Å; Y526-V529 PolarHBondContact O-N 2.91Å; Y526-V529 VanDerWaalsContact O-N 3.07Å; V529-V531 PolarHBondContact O-N 2.89Å; V529-V531 VanDerWaalsContact O-N 3.14Å; V529-T532 WeakPolarHBondContact O-CA 3.41Å; V529-T532 PolarHBondContact O-N 3.27Å; V529-T532 PolarHBondContact O-OG1 3.39Å; V529-L533 HydrophobicContact CG2-CD1 4.25Å; V529-L533 WeakPolarHBondContact O-CG 3.31Å; V529-L533 PolarHBondContact O-N 2.89Å; V529-Y556 HydrophobicContact CG2-CE1 3.99Å
530E93.2Very high87.1Confident70 Ų7072.5 Ų72.533%0.32736%0.362SS..G310 helixtrans-51-42.5-175.7-177.4179.8162.500112.2Y526 T532 L533 R535 V538Y526-E530 HydrophobicContact CE1-CB 4.27Å; Y526-E530 HydrophobicContact CE1-CG 4.02Å; Y526-E530 WeakPolarHBondContact CE1-OE2 3.3Å; Y526-E530 HydrophobicContact CE2-CB 4.5Å; Y526-E530 HydrophobicContact CE2-CG 4.49Å; Y526-E530 WeakPolarHBondContact O-CB 3.3Å; Y526-E530 PolarHBondContact O-N 3.4Å; E530-T532 PolarHBondContact O-N 3.47Å; E530-L533 PolarHBondContact O-N 3.37Å; E530-R535 PolarHBondContact O-NH2 3.3Å; E530-V538 HydrophobicContact CG-CG2 4.5Å
531V92.2Very high88.8Confident115 Ų11561.7 Ų61.770%0.69732%0.321SS*.G310 helixtrans-67.4-20.3178.8-61.80000113.9V529 R535V529-V531 PolarHBondContact O-N 2.89Å; V529-V531 VanDerWaalsContact O-N 3.14Å; V531-R535 PolarHBondContact O-NH2 3.49Å
532T93.1Very high90.6Very high109 Ų10956.1 Ų56.167%0.66930%0.3SS*.G310 helixtrans-96.2-11.8-179.868.30000113.6V529 E530V529-T532 WeakPolarHBondContact O-CA 3.41Å; V529-T532 PolarHBondContact O-N 3.27Å; V529-T532 PolarHBondContact O-OG1 3.39Å; E530-T532 PolarHBondContact O-N 3.47Å
533L95.2Very high91.9Very high12 Ų1254.4 Ų54.46%0.06329%0.288CS..SBendtrans-80.7152.4-179.2-67172.8000111.5W510 P512 Y526 V529 E530 R535 Y537 V538 Y556W510-L533 HydrophobicContact CH2-CD2 4.44Å; W510-L533 HydrophobicContact CZ3-CD2 4.21Å; P512-L533 HydrophobicContact CG-CD2 3.91Å; Y526-L533 HydrophobicContact CD2-CD1 4.33Å; Y526-L533 HydrophobicContact CE2-CD1 3.95Å; V529-L533 HydrophobicContact CG2-CD1 4.25Å; V529-L533 WeakPolarHBondContact O-CG 3.31Å; V529-L533 PolarHBondContact O-N 2.89Å; E530-L533 PolarHBondContact O-N 3.37Å; L533-R535 PolarHBondContact O-NE 2.84Å; L533-R535 PolarHBondContact O-NH2 3.37Å; L533-Y537 HydrophobicContact CB-CD1 4.24Å; L533-Y537 HydrophobicContact CD1-CD1 4.13Å; L533-Y537 HydrophobicContact CD1-CE1 3.94Å; L533-Y537 HydrophobicContact CD2-CD1 4.25Å; L533-Y537 HydrophobicContact CD2-CE1 4.15Å; L533-Y537 HydrophobicContact CG-CD1 4.44Å; L533-V538 HydrophobicContact CB-CG2 3.72Å; L533-V538 HydrophobicContact CD1-CG2 4.34Å; L533-Y556 HydrophobicContact CD1-CD2 4.19Å; L533-Y556 HydrophobicContact CD1-CE2 3.79Å; L533-Y556 HydrophobicContact CD2-CE2 4.31Å
534P96.9Very high93.4Very high21 Ų2145.4 Ų45.414%0.13625%0.249CC..  trans-57.3140.2169.4-2535.6000111.9L367 D369 W510 Y537 V538L367-P534 VanDerWaalsContact O-CB 3.24Å; L367-P534 WeakPolarHBondContact O-CB 3.47Å; L367-P534 WeakPolarHBondContact O-CG 3.27Å; D369-P534 VanDerWaalsContact OD2-CA 3.26Å; D369-P534 WeakPolarHBondContact OD2-CA 3.28Å; W510-P534 HydrophobicContact CH2-CG 4.05Å; W510-P534 HydrophobicContact CZ2-CG 3.78Å; P534-Y537 PolarHBondContact O-N 2.84Å; P534-V538 WeakPolarHBondContact O-CG2 3.45Å; P534-V538 PolarHBondContact O-N 3.5Å
535R96.3Very high94.5Very high115 Ų11542.6 Ų42.643%0.43423%0.229SC..Hα-helixtrans-64.8-39-177.3-63.8-56.9102-168.85.4111.9D369 E530 V531 L533 Y537 V538 W539D369-R535 PolarHBondContact OD1-N 2.85Å; D369-R535 PolarHBondContact OD2-N 3.37Å; E530-R535 PolarHBondContact O-NH2 3.3Å; V531-R535 PolarHBondContact O-NH2 3.49Å; L533-R535 PolarHBondContact O-NE 2.84Å; L533-R535 PolarHBondContact O-NH2 3.37Å; R535-Y537 VanDerWaalsContact C-N 3.31Å; R535-Y537 PolarHBondContact O-N 2.83Å; R535-V538 PolarHBondContact O-N 2.98Å; R535-W539 VanDerWaalsContact O-CB 3.31Å; R535-W539 WeakPolarHBondContact O-CB 3.34Å; R535-W539 PolarHBondContact O-N 3.47Å
536M96.3Very high95.1Very high9 Ų941.6 Ų41.64%0.04422%0.224CC..Hα-helixtrans-65.1-36.4175.9-75.5-53.7-64.300112.7D369 E372 W373 L394 Y398 W539 L540D369-M536 PolarHBondContact OD1-N 3.44Å; E372-M536 HydrophobicContact CG-CG 4.43Å; E372-M536 WeakPolarHBondContact OE1-CB 3.33Å; E372-M536 WeakPolarHBondContact OE1-CG 3.45Å; W373-M536 HydrophobicContact CH2-CE 3.73Å; W373-M536 HydrophobicContact CH2-CG 3.93Å; W373-M536 HydrophobicContact CH2-SD 3.39Å; W373-M536 WeakPolarHBondContact CH2-SD 3.45Å; W373-M536 HydrophobicContact CZ2-CE 4.13Å; W373-M536 HydrophobicContact CZ2-CG 3.31Å; W373-M536 HydrophobicContact CZ2-SD 3.29Å; W373-M536 WeakPolarHBondContact CZ2-SD 3.36Å; L394-M536 HydrophobicContact CD2-CE 4.01Å; Y398-M536 HydrophobicContact CD2-CE 3.57Å; Y398-M536 HydrophobicContact CD2-SD 3.99Å; Y398-M536 HydrophobicContact CE2-CE 4.13Å; Y398-M536 HydrophobicContact CE2-SD 3.96Å; Y398-M536 HydrophobicContact CG-CE 3.94Å; Y398-M536 HydrophobicContact CG-SD 4.43Å; M536-W539 HydrophobicContact CE-CE3 4.34Å; M536-L540 WeakPolarHBondContact O-CB 3.39Å; M536-L540 PolarHBondContact O-N 3.1Å
537Y97.6Very high95.4Very high0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-68.1-44.7173.8175.7-108.4000112.1I358 K362 W510 L533 P534 R535 W539 L540 L541 Y556 V559I358-Y537 HydrophobicContact CG2-CD2 4.15Å; I358-Y537 HydrophobicContact CG2-CE2 3.57Å; K362-Y537 HydrophobicContact CD-CD2 3.92Å; K362-Y537 HydrophobicContact CD-CE2 3.72Å; K362-Y537 HydrophobicContact CG-CD2 4.24Å; K362-Y537 HydrophobicContact CG-CE2 4.44Å; W510-Y537 AromaticContact CH2-CD1 3.64Å; W510-Y537 HydrophobicContact CH2-CD1 3.64Å; W510-Y537 HydrophobicContact CH2-CD2 4.09Å; W510-Y537 AromaticContact CH2-CE1 4Å; W510-Y537 HydrophobicContact CH2-CE1 4Å; W510-Y537 HydrophobicContact CH2-CE2 4.44Å; W510-Y537 AromaticContact CH2-CG 3.66Å; W510-Y537 HydrophobicContact CH2-CG 3.66Å; W510-Y537 HydrophobicContact CZ2-CD1 4.34Å; W510-Y537 HydrophobicContact CZ2-CD2 4.18Å; W510-Y537 AromaticContact CZ2-CG 3.9Å; W510-Y537 HydrophobicContact CZ2-CG 3.9Å; L533-Y537 HydrophobicContact CB-CD1 4.24Å; L533-Y537 HydrophobicContact CD1-CD1 4.13Å; L533-Y537 HydrophobicContact CD1-CE1 3.94Å; L533-Y537 HydrophobicContact CD2-CD1 4.25Å; L533-Y537 HydrophobicContact CD2-CE1 4.15Å; L533-Y537 HydrophobicContact CG-CD1 4.44Å; P534-Y537 PolarHBondContact O-N 2.84Å; R535-Y537 VanDerWaalsContact C-N 3.31Å; R535-Y537 PolarHBondContact O-N 2.83Å; Y537-W539 VanDerWaalsContact C-N 3.33Å; Y537-W539 PolarHBondContact O-N 3.45Å; Y537-L540 PolarHBondContact O-N 2.88Å; Y537-L541 HydrophobicContact CD1-CD1 3.97Å; Y537-L541 HydrophobicContact CE1-CD1 3.53Å; Y537-L541 HydrophobicContact CE1-CG 4.24Å; Y537-L541 HydrophobicContact CE2-CD2 4.45Å; Y537-L541 HydrophobicContact CE2-CG 4.39Å; Y537-L541 WeakPolarHBondContact O-CG 3.26Å; Y537-L541 PolarHBondContact O-N 3.28Å; Y537-Y556 AromaticContact CE1-CD2 3.94Å; Y537-Y556 HydrophobicContact CE1-CD2 3.94Å; Y537-Y556 HydrophobicContact CE1-CE2 4.03Å; Y537-Y556 WeakPolarHBondContact OH-CD2 3.38Å; Y537-V559 WeakPolarHBondContact OH-CG1 3.33Å
538V97.7Very high95.8Very high9 Ų938.2 Ų38.26%0.05520%0.196CC..Hα-helixtrans-58.5-46.8174.51690000110.8E530 L533 P534 R535 L540 L541 D542E530-V538 HydrophobicContact CG-CG2 4.5Å; L533-V538 HydrophobicContact CB-CG2 3.72Å; L533-V538 HydrophobicContact CD1-CG2 4.34Å; P534-V538 WeakPolarHBondContact O-CG2 3.45Å; P534-V538 PolarHBondContact O-N 3.5Å; R535-V538 PolarHBondContact O-N 2.98Å; V538-L540 VanDerWaalsContact C-N 3.3Å; V538-L540 PolarHBondContact O-N 3.15Å; V538-L541 WeakPolarHBondContact O-CB 3.34Å; V538-L541 PolarHBondContact O-N 3.3Å; V538-L541 VanDerWaalsContact O-N 3.14Å; V538-D542 PolarHBondContact O-N 3.5Å
539W97.9Very high96.2Very high25 Ų2534.1 Ų34.110%0.09519%0.192CC..Hα-helixtrans-59.8-40.8177178.685.1000112.5W397 Y398 M401 Q402 L405 R535 M536 Y537 L541 D542 L543W397-W539 HydrophobicContact CH2-CH2 4.05Å; W397-W539 AromaticContact CH2-CZ3 3.5Å; W397-W539 HydrophobicContact CH2-CZ3 3.5Å; W397-W539 HydrophobicContact CZ2-CH2 4.39Å; W397-W539 HydrophobicContact CZ2-CZ3 4.25Å; W397-W539 HydrophobicContact CZ3-CH2 4.25Å; W397-W539 AromaticContact CZ3-CZ3 3.66Å; W397-W539 HydrophobicContact CZ3-CZ3 3.66Å; Y398-W539 AromaticContact CD2-CD2 3.76Å; Y398-W539 HydrophobicContact CD2-CD2 3.76Å; Y398-W539 AromaticContact CD2-CE2 3.71Å; Y398-W539 AromaticContact CD2-CE3 3.83Å; Y398-W539 HydrophobicContact CD2-CE3 3.83Å; Y398-W539 HydrophobicContact CD2-CG 4.46Å; Y398-W539 AromaticContact CD2-CH2 3.81Å; Y398-W539 HydrophobicContact CD2-CH2 3.81Å; Y398-W539 AromaticContact CD2-CZ2 3.74Å; Y398-W539 HydrophobicContact CD2-CZ2 3.74Å; Y398-W539 AromaticContact CD2-CZ3 3.86Å; Y398-W539 HydrophobicContact CD2-CZ3 3.86Å; Y398-W539 AromaticContact CE2-CD1 3.87Å; Y398-W539 AromaticContact CE2-CD2 3.54Å; Y398-W539 HydrophobicContact CE2-CD2 3.54Å; Y398-W539 AromaticContact CE2-CE2 3.47Å; Y398-W539 VanDerWaalsContact CE2-CE2 3.47Å; Y398-W539 HydrophobicContact CE2-CE3 4.08Å; Y398-W539 AromaticContact CE2-CG 3.8Å; Y398-W539 HydrophobicContact CE2-CG 3.8Å; Y398-W539 HydrophobicContact CE2-CH2 4.42Å; Y398-W539 AromaticContact CE2-CZ2 3.94Å; Y398-W539 HydrophobicContact CE2-CZ2 3.94Å; Y398-W539 HydrophobicContact CE2-CZ3 4.48Å; Y398-W539 AromaticContact CE2-NE1 3.66Å; M401-W539 HydrophobicContact CB-CH2 3.87Å; M401-W539 HydrophobicContact CB-CZ2 4.23Å; M401-W539 HydrophobicContact CG-CH2 3.63Å; M401-W539 HydrophobicContact CG-CZ2 4Å; Q402-W539 HydrophobicContact CB-CZ2 4.31Å; L405-W539 HydrophobicContact CD2-CZ2 4.48Å; R535-W539 VanDerWaalsContact O-CB 3.31Å; R535-W539 WeakPolarHBondContact O-CB 3.34Å; R535-W539 PolarHBondContact O-N 3.47Å; M536-W539 HydrophobicContact CE-CE3 4.34Å; Y537-W539 VanDerWaalsContact C-N 3.33Å; Y537-W539 PolarHBondContact O-N 3.45Å; W539-L541 VanDerWaalsContact C-N 3.34Å; W539-L541 PolarHBondContact O-N 3.36Å; W539-D542 WeakPolarHBondContact O-CB 3.32Å; W539-D542 PolarHBondContact O-N 3.48Å; W539-L543 HydrophobicContact CH2-CD2 4.03Å; W539-L543 HydrophobicContact CZ3-CD2 4.2Å; W539-L543 PolarHBondContact O-N 2.9Å
540L98.1Very high96.4Very high3 Ų333.1 Ų33.12%0.01619%0.186CC..Hα-helixtrans-66-37.4176.8-172.758000112.2I358 M361 L367 W397 M536 Y537 V538 D542 L543 F544I358-L540 HydrophobicContact CB-CD2 4.37Å; I358-L540 HydrophobicContact CG1-CD2 4.01Å; I358-L540 HydrophobicContact CG1-CG 4.02Å; I358-L540 HydrophobicContact CG2-CD2 4.24Å; M361-L540 HydrophobicContact CB-CD2 3.96Å; M361-L540 HydrophobicContact CG-CD2 4.23Å; L367-L540 HydrophobicContact CD1-CD2 3.63Å; W397-L540 HydrophobicContact CH2-CD1 3.87Å; M536-L540 WeakPolarHBondContact O-CB 3.39Å; M536-L540 PolarHBondContact O-N 3.1Å; Y537-L540 PolarHBondContact O-N 2.88Å; V538-L540 VanDerWaalsContact C-N 3.3Å; V538-L540 PolarHBondContact O-N 3.15Å; L540-D542 VanDerWaalsContact C-N 3.32Å; L540-L543 HydrophobicContact CD1-CD2 4.12Å; L540-L543 PolarHBondContact O-N 3.36Å; L540-F544 HydrophobicContact CD1-CD2 4Å; L540-F544 HydrophobicContact CD1-CE2 3.7Å; L540-F544 HydrophobicContact CG-CD2 4.24Å; L540-F544 HydrophobicContact CG-CE2 4.21Å; L540-F544 WeakPolarHBondContact O-CD2 3.48Å; L540-F544 PolarHBondContact O-N 2.88Å
541L98Very high96.5Very high0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-61.5-42.5171.2-67.6169.2000111I358 Y526 Y537 V538 W539 F544 S545 V555 Y556 V559I358-L541 HydrophobicContact CD1-CD2 3.9Å; Y526-L541 HydrophobicContact CD2-CD1 4.47Å; Y526-L541 HydrophobicContact CE2-CD1 3.61Å; Y537-L541 HydrophobicContact CD1-CD1 3.97Å; Y537-L541 HydrophobicContact CE1-CD1 3.53Å; Y537-L541 HydrophobicContact CE1-CG 4.24Å; Y537-L541 HydrophobicContact CE2-CD2 4.45Å; Y537-L541 HydrophobicContact CE2-CG 4.39Å; Y537-L541 WeakPolarHBondContact O-CG 3.26Å; Y537-L541 PolarHBondContact O-N 3.28Å; V538-L541 WeakPolarHBondContact O-CB 3.34Å; V538-L541 PolarHBondContact O-N 3.3Å; V538-L541 VanDerWaalsContact O-N 3.14Å; W539-L541 VanDerWaalsContact C-N 3.34Å; W539-L541 PolarHBondContact O-N 3.36Å; L541-F544 PolarHBondContact O-N 3.41Å; L541-S545 WeakPolarHBondContact O-CB 3.5Å; L541-S545 PolarHBondContact O-N 3.49Å; L541-V555 HydrophobicContact CD2-CB 4.07Å; L541-V555 HydrophobicContact CD2-CG1 3.77Å; L541-Y556 HydrophobicContact CD1-CD2 3.98Å; L541-V559 HydrophobicContact CD2-CG2 4.41Å
542D97.9Very high96.7Very high61 Ų6133.5 Ų33.533%0.32618%0.18SC..Hα-helixtrans-64.9-39.7178.3-69.2-30.5000112.2V538 W539 L540 S545 F546 P552V538-D542 PolarHBondContact O-N 3.5Å; W539-D542 WeakPolarHBondContact O-CB 3.32Å; W539-D542 PolarHBondContact O-N 3.48Å; L540-D542 VanDerWaalsContact C-N 3.32Å; D542-S545 WeakPolarHBondContact O-CB 3.42Å; D542-S545 PolarHBondContact O-N 2.93Å; D542-F546 WeakPolarHBondContact O-CB 3.43Å; D542-F546 PolarHBondContact O-N 3.25Å; D542-P552 WeakPolarHBondContact OD1-CG 3.38Å
543L98.2Very high96.7Very high0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-57.1-54.3173.9173.361.9000111.2A312 W397 M401 L405 F471 W539 L540 S545 F546 L547A312-L543 HydrophobicContact CB-CD2 4.3Å; W397-L543 HydrophobicContact CH2-CD2 4.48Å; W397-L543 HydrophobicContact CZ2-CD2 4.13Å; M401-L543 HydrophobicContact CG-CD1 3.95Å; M401-L543 HydrophobicContact CG-CD2 3.83Å; M401-L543 HydrophobicContact SD-CD1 3.83Å; M401-L543 HydrophobicContact SD-CD2 4.35Å; L405-L543 HydrophobicContact CD1-CD1 4.18Å; L405-L543 HydrophobicContact CD2-CB 4.46Å; L405-L543 HydrophobicContact CD2-CD1 4.16Å; F471-L543 HydrophobicContact CE2-CD1 4.41Å; W539-L543 HydrophobicContact CH2-CD2 4.03Å; W539-L543 HydrophobicContact CZ3-CD2 4.2Å; W539-L543 PolarHBondContact O-N 2.9Å; L540-L543 HydrophobicContact CD1-CD2 4.12Å; L540-L543 PolarHBondContact O-N 3.36Å; L543-S545 VanDerWaalsContact C-N 3.29Å; L543-S545 PolarHBondContact O-N 3.36Å; L543-F546 WeakPolarHBondContact O-CB 3.42Å; L543-F546 PolarHBondContact O-N 3.32Å; L543-L547 HydrophobicContact CD1-CD1 4.4Å; L543-L547 HydrophobicContact CD1-CG 4.46Å; L543-L547 HydrophobicContact CG-CD1 4.44Å; L543-L547 WeakPolarHBondContact O-CG 3.36Å; L543-L547 PolarHBondContact O-N 3.01Å
544F98.3Very high96.7Very high0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-69.4-29.5178.7-77.8-70.4000112.6A312 A354 I357 I358 L540 L541 F546 L547 L548 V555A312-F544 HydrophobicContact CB-CE1 4.42Å; A312-F544 HydrophobicContact CB-CZ 4.12Å; A354-F544 HydrophobicContact CB-CB 3.97Å; A354-F544 HydrophobicContact CB-CD1 3.58Å; A354-F544 HydrophobicContact CB-CE1 4.27Å; A354-F544 HydrophobicContact CB-CG 3.81Å; I357-F544 HydrophobicContact CB-CE2 4.49Å; I357-F544 HydrophobicContact CB-CZ 4.04Å; I357-F544 HydrophobicContact CD1-CE1 4.1Å; I357-F544 HydrophobicContact CD1-CZ 4.04Å; I357-F544 HydrophobicContact CG2-CE2 4.08Å; I357-F544 HydrophobicContact CG2-CZ 3.68Å; I358-F544 HydrophobicContact CD1-CB 4.44Å; I358-F544 HydrophobicContact CD1-CD2 3.74Å; I358-F544 HydrophobicContact CD1-CE2 4.44Å; I358-F544 HydrophobicContact CD1-CG 4.35Å; I358-F544 HydrophobicContact CG1-CD2 3.66Å; I358-F544 HydrophobicContact CG1-CE2 3.86Å; L540-F544 HydrophobicContact CD1-CD2 4Å; L540-F544 HydrophobicContact CD1-CE2 3.7Å; L540-F544 HydrophobicContact CG-CD2 4.24Å; L540-F544 HydrophobicContact CG-CE2 4.21Å; L540-F544 WeakPolarHBondContact O-CD2 3.48Å; L540-F544 PolarHBondContact O-N 2.88Å; L541-F544 PolarHBondContact O-N 3.41Å; F544-F546 VanDerWaalsContact C-N 3.32Å; F544-L547 HydrophobicContact CD1-CD1 4.12Å; F544-L547 HydrophobicContact CE1-CD1 4.25Å; F544-L547 PolarHBondContact O-N 3.2Å; F544-L548 WeakPolarHBondContact O-CB 3.36Å; F544-L548 VanDerWaalsContact O-CG 3.24Å; F544-L548 WeakPolarHBondContact O-CG 3.43Å; F544-L548 PolarHBondContact O-N 2.83Å; F544-V555 HydrophobicContact CB-CG1 4.35Å
545S97.8Very high96.7Very high8 Ų829.1 Ų29.16%0.05616%0.156CC..Hα-helixtrans-62-42.2172.4-166.10000111.5L541 D542 L543 G549 V550 P552L541-S545 WeakPolarHBondContact O-CB 3.5Å; L541-S545 PolarHBondContact O-N 3.49Å; D542-S545 WeakPolarHBondContact O-CB 3.42Å; D542-S545 PolarHBondContact O-N 2.93Å; L543-S545 VanDerWaalsContact C-N 3.29Å; L543-S545 PolarHBondContact O-N 3.36Å; S545-G549 PolarHBondContact O-N 2.88Å; S545-V550 PolarHBondContact O-N 2.89Å; S545-V550 PolarHBondContact OG-O 2.89Å; S545-P552 WeakPolarHBondContact OG-CD 3.47Å
546F97.1Very high96.6Very high46 Ų4623.9 Ų23.920%0.20214%0.136CC..Hα-helixtrans-64.3-51.9175.4175-94.5000111.1L405 A408 A409 F471 D542 L543 F544 L548 G549L405-F546 HydrophobicContact CD1-CB 3.84Å; L405-F546 HydrophobicContact CD1-CD1 3.35Å; L405-F546 HydrophobicContact CD1-CD2 4.06Å; L405-F546 HydrophobicContact CD1-CE1 3.87Å; L405-F546 HydrophobicContact CD1-CG 3.46Å; L405-F546 VanDerWaalsContact CD1-CG 3.46Å; L405-F546 HydrophobicContact CD1-CZ 4.43Å; A408-F546 HydrophobicContact CB-CE1 3.98Å; A408-F546 HydrophobicContact CB-CZ 3.7Å; A409-F546 HydrophobicContact CB-CE2 4.02Å; F471-F546 HydrophobicContact CZ-CD1 4.33Å; F471-F546 AromaticContact CZ-CE1 3.98Å; F471-F546 HydrophobicContact CZ-CE1 3.98Å; D542-F546 WeakPolarHBondContact O-CB 3.43Å; D542-F546 PolarHBondContact O-N 3.25Å; L543-F546 WeakPolarHBondContact O-CB 3.42Å; L543-F546 PolarHBondContact O-N 3.32Å; F544-F546 VanDerWaalsContact C-N 3.32Å; F546-L548 VanDerWaalsContact C-N 3.26Å; F546-L548 PolarHBondContact O-N 2.92Å; F546-G549 PolarHBondContact O-N 3.03Å; F546-G549 VanDerWaalsContact O-N 3.14Å
547L96.3Very high96.5Very high14 Ų1425.1 Ų25.17%0.07314%0.142CC..Hα-helixtrans-56.8-39.3-179.5-72-179.9000113.1E311 A312 C470 F471 L543 F544E311-L547 HydrophobicContact CB-CD1 4.41Å; E311-L547 HydrophobicContact CG-CD1 3.69Å; E311-L547 HydrophobicContact CG-CD2 3.38Å; E311-L547 HydrophobicContact CG-CG 4.11Å; A312-L547 HydrophobicContact CB-CD1 4.46Å; C470-L547 HydrophobicContact CB-CD2 4.27Å; F471-L547 HydrophobicContact CD2-CD2 3.94Å; F471-L547 HydrophobicContact CE2-CD2 3.5Å; F471-L547 VanDerWaalsContact CE2-CD2 3.5Å; F471-L547 HydrophobicContact CE2-CG 4.43Å; F471-L547 HydrophobicContact CZ-CD2 4.47Å; L543-L547 HydrophobicContact CD1-CD1 4.4Å; L543-L547 HydrophobicContact CD1-CG 4.46Å; L543-L547 HydrophobicContact CG-CD1 4.44Å; L543-L547 WeakPolarHBondContact O-CG 3.36Å; L543-L547 PolarHBondContact O-N 3.01Å; F544-L547 HydrophobicContact CD1-CD1 4.12Å; F544-L547 HydrophobicContact CE1-CD1 4.25Å; F544-L547 PolarHBondContact O-N 3.2Å
548L96.3Very high96.3Very high5 Ų525.5 Ų25.53%0.02614%0.144CC..Hα-helixtrans-90.7-8.8-177.7-60.5-178.4000113.7A229 Y308 D350 V351 A354 F544 F546 V550A229-L548 HydrophobicContact CB-CB 4.34Å; A229-L548 HydrophobicContact CB-CD2 4.15Å; A229-L548 VanDerWaalsContact CB-O 3.3Å; A229-L548 WeakPolarHBondContact CB-O 3.46Å; Y308-L548 HydrophobicContact CE1-CD2 3.63Å; Y308-L548 HydrophobicContact CE2-CD2 4.21Å; Y308-L548 VanDerWaalsContact CZ-CD2 3.44Å; Y308-L548 VanDerWaalsContact OH-CD2 3.25Å; Y308-L548 WeakPolarHBondContact OH-CD2 3.29Å; D350-L548 HydrophobicContact CB-CD2 3.89Å; V351-L548 HydrophobicContact CB-CD1 4.46Å; V351-L548 HydrophobicContact CG2-CD1 4.15Å; A354-L548 HydrophobicContact CB-CD1 3.84Å; F544-L548 WeakPolarHBondContact O-CB 3.36Å; F544-L548 VanDerWaalsContact O-CG 3.24Å; F544-L548 WeakPolarHBondContact O-CG 3.43Å; F544-L548 PolarHBondContact O-N 2.83Å; F546-L548 VanDerWaalsContact C-N 3.26Å; F546-L548 PolarHBondContact O-N 2.92Å; L548-V550 HydrophobicContact CB-CG1 4.06Å; L548-V550 HydrophobicContact CB-CG2 3.97Å; L548-V550 PolarHBondContact O-N 3.18Å
549G95.1Very high96.2Very high56 Ų5625.1 Ų25.158%0.57714%0.141SC*.THydrogen-bonded Turntrans61.130-173.300000113.6S545 F546S545-G549 PolarHBondContact O-N 2.88Å; F546-G549 PolarHBondContact O-N 3.03Å; F546-G549 VanDerWaalsContact O-N 3.14Å
550V96.1Very high96Very high18 Ų1824.4 Ų24.411%0.10914%0.139CC..SBendtrans-104.7179.5177.8-58.30000110.6Y271 V351 S545 L548 C554 V555Y271-V550 HydrophobicContact CD1-CG1 3.76Å; Y271-V550 HydrophobicContact CD2-CG1 3.78Å; Y271-V550 HydrophobicContact CE1-CG1 4.25Å; Y271-V550 HydrophobicContact CE2-CG1 4.26Å; Y271-V550 HydrophobicContact CG-CG1 3.52Å; V351-V550 HydrophobicContact CG2-CG1 4.49Å; S545-V550 PolarHBondContact O-N 2.89Å; S545-V550 PolarHBondContact OG-O 2.89Å; L548-V550 HydrophobicContact CB-CG1 4.06Å; L548-V550 HydrophobicContact CB-CG2 3.97Å; L548-V550 PolarHBondContact O-N 3.18Å; V550-C554 HydrophobicContact CB-CB 4.21Å; V550-C554 HydrophobicContact CG2-CB 4.25Å; V550-V555 HydrophobicContact CG2-CG2 3.63Å
551K94.9Very high95.7Very high161 Ų16128 Ų2870%0.716%0.155SC*.  trans-87.1149.3168.7-65.9-174.2177.2-173.50109.7G553 C554K551-G553 PolarHBondContact O-N 3Å; K551-G553 VanDerWaalsContact O-N 3.13Å; K551-C554 VanDerWaalsContact O-CB 3.29Å; K551-C554 WeakPolarHBondContact O-CB 3.38Å; K551-C554 PolarHBondContact O-N 2.86Å
552P95.7Very high95.5Very high32 Ų3228 Ų2821%0.20816%0.155CC..Hα-helixtrans-58.1-35.1-178.7-26.734.6000112.6Y526 D542 S545 C554 V555 Y556Y526-P552 HydrophobicContact CD1-CB 4.36Å; Y526-P552 HydrophobicContact CE1-CB 3.7Å; D542-P552 WeakPolarHBondContact OD1-CG 3.38Å; S545-P552 WeakPolarHBondContact OG-CD 3.47Å; P552-C554 PolarHBondContact O-N 3.26Å; P552-V555 PolarHBondContact O-N 3.09Å; P552-V555 VanDerWaalsContact O-N 3.12Å; P552-Y556 PolarHBondContact O-N 2.79Å
553G93.9Very high95.4Very high7 Ų725.1 Ų25.17%0.07214%0.139CC..Hα-helixtrans-59.1-28.8174.200000114.6K551 E557K551-G553 PolarHBondContact O-N 3Å; K551-G553 VanDerWaalsContact O-N 3.13Å; G553-E557 WeakPolarHBondContact O-CB 3.28Å; G553-E557 WeakPolarHBondContact O-CG 3.43Å; G553-E557 PolarHBondContact O-N 3.02Å
554C93.9Very high95.1Very high42 Ų4228.7 Ų28.728%0.28415%0.153SC..Hα-helixtrans-68-43.3175-65.20000111.6V550 K551 P552 E558V550-C554 HydrophobicContact CB-CB 4.21Å; V550-C554 HydrophobicContact CG2-CB 4.25Å; K551-C554 VanDerWaalsContact O-CB 3.29Å; K551-C554 WeakPolarHBondContact O-CB 3.38Å; K551-C554 PolarHBondContact O-N 2.86Å; P552-C554 PolarHBondContact O-N 3.26Å; C554-E558 PolarHBondContact O-N 2.79Å
555V96.8Very high94.8Very high0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-66.5-47176.6-173.80000109.7I358 L541 F544 V550 P552 E557 E558 V559I358-V555 HydrophobicContact CD1-CG1 3.46Å; I358-V555 VanDerWaalsContact CD1-CG1 3.46Å; L541-V555 HydrophobicContact CD2-CB 4.07Å; L541-V555 HydrophobicContact CD2-CG1 3.77Å; F544-V555 HydrophobicContact CB-CG1 4.35Å; V550-V555 HydrophobicContact CG2-CG2 3.63Å; P552-V555 PolarHBondContact O-N 3.09Å; P552-V555 VanDerWaalsContact O-N 3.12Å; V555-E557 PolarHBondContact O-N 2.89Å; V555-E558 PolarHBondContact O-N 3.36Å; V555-E558 VanDerWaalsContact O-N 3.1Å; V555-V559 HydrophobicContact CG1-CG2 4.49Å; V555-V559 WeakPolarHBondContact O-CG2 3.33Å; V555-V559 PolarHBondContact O-N 3.5Å
556Y95.6Very high94.4Very high6 Ų635.5 Ų35.52%0.02418%0.178CC..Hα-helixtrans-55.5-47.9178.2176.7-104.4000112.8P512 Y526 V529 L533 Y537 L541 P552 E558 V559 L560P512-Y556 HydrophobicContact CG-CE2 4.21Å; P512-Y556 WeakPolarHBondContact CG-OH 3.15Å; Y526-Y556 AromaticContact CD2-CD1 3.78Å; Y526-Y556 HydrophobicContact CD2-CD1 3.78Å; Y526-Y556 AromaticContact CD2-CD2 3.91Å; Y526-Y556 HydrophobicContact CD2-CD2 3.91Å; Y526-Y556 HydrophobicContact CD2-CE1 4.41Å; Y526-Y556 AromaticContact CD2-CG 3.49Å; Y526-Y556 HydrophobicContact CD2-CG 3.49Å; Y526-Y556 VanDerWaalsContact CD2-CG 3.49Å; Y526-Y556 HydrophobicContact CE2-CD2 4.28Å; Y526-Y556 HydrophobicContact CE2-CG 4.21Å; Y526-Y556 HydrophobicContact CG-CD1 4.34Å; Y526-Y556 HydrophobicContact CG-CG 4.35Å; V529-Y556 HydrophobicContact CG2-CE1 3.99Å; L533-Y556 HydrophobicContact CD1-CD2 4.19Å; L533-Y556 HydrophobicContact CD1-CE2 3.79Å; L533-Y556 HydrophobicContact CD2-CE2 4.31Å; Y537-Y556 AromaticContact CE1-CD2 3.94Å; Y537-Y556 HydrophobicContact CE1-CD2 3.94Å; Y537-Y556 HydrophobicContact CE1-CE2 4.03Å; Y537-Y556 WeakPolarHBondContact OH-CD2 3.38Å; L541-Y556 HydrophobicContact CD1-CD2 3.98Å; P552-Y556 PolarHBondContact O-N 2.79Å; Y556-E558 VanDerWaalsContact C-N 3.28Å; Y556-E558 PolarHBondContact O-N 2.98Å; Y556-V559 WeakPolarHBondContact O-CB 3.45Å; Y556-V559 PolarHBondContact O-N 3.44Å; Y556-L560 HydrophobicContact CD1-CD1 4.14Å; Y556-L560 HydrophobicContact CD1-CG 4.49Å; Y556-L560 HydrophobicContact CE1-CD1 3.48Å; Y556-L560 VanDerWaalsContact CE1-CD1 3.48Å; Y556-L560 HydrophobicContact CE1-CG 4.09Å; Y556-L560 HydrophobicContact CE2-CD2 4.32Å; Y556-L560 HydrophobicContact CE2-CG 4.37Å; Y556-L560 WeakPolarHBondContact O-CG 3.47Å; Y556-L560 PolarHBondContact O-N 3.09Å
557E92.9Very high94.1Very high34 Ų3435.7 Ų35.716%0.15918%0.181CC..Hα-helixtrans-65.4-32.1179.2-71.4-67.7171.700112.5H525 G553 V555 K561H525-E557 PolarHBondContact N-OE1 3.39Å; H525-E557 VanDerWaalsContact N-OE1 3.16Å; G553-E557 WeakPolarHBondContact O-CB 3.28Å; G553-E557 WeakPolarHBondContact O-CG 3.43Å; G553-E557 PolarHBondContact O-N 3.02Å; V555-E557 PolarHBondContact O-N 2.89Å; E557-K561 WeakPolarHBondContact O-CG 3.41Å; E557-K561 PolarHBondContact O-N 3.38Å; E557-K561 VanDerWaalsContact O-N 3.13Å
558E94.4Very high93.2Very high9 Ų937.1 Ų37.14%0.04220%0.199CC..Hα-helixtrans-72.6-39.9174.6-158.762.4-147.900111.5V351 Q352 A355 C554 V555 Y556 L560 K561 V562V351-E558 HydrophobicContact CG1-CB 3.68Å; V351-E558 HydrophobicContact CG1-CG 4.01Å; Q352-E558 HydrophobicContact CG-CG 3.99Å; Q352-E558 WeakPolarHBondContact CG-OE1 3.49Å; A355-E558 HydrophobicContact CB-CB 4.13Å; A355-E558 HydrophobicContact CB-CG 4.05Å; C554-E558 PolarHBondContact O-N 2.79Å; V555-E558 PolarHBondContact O-N 3.36Å; V555-E558 VanDerWaalsContact O-N 3.1Å; Y556-E558 VanDerWaalsContact C-N 3.28Å; Y556-E558 PolarHBondContact O-N 2.98Å; E558-L560 VanDerWaalsContact C-N 3.34Å; E558-L560 PolarHBondContact O-N 2.89Å; E558-K561 WeakPolarHBondContact O-CB 3.5Å; E558-K561 PolarHBondContact O-N 2.87Å; E558-K561 VanDerWaalsContact O-N 3.07Å; E558-K561 WeakPolarHBondContact OE2-CD 3.29Å; E558-K561 IonicContact OE2-NZ 4Å; E558-K561 PolarHBondContact OE2-NZ 3.2Å; E558-V562 WeakPolarHBondContact O-CG2 3.37Å; E558-V562 PolarHBondContact O-N 3.12Å
559V95.8Very high91.5Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-54.4-50.4170.7172.50000110.2A355 I358 I359 Y537 L541 V555 Y556 K561 V562 E563A355-V559 HydrophobicContact CB-CG2 3.83Å; I358-V559 HydrophobicContact CB-CG2 4.09Å; I358-V559 HydrophobicContact CD1-CG2 4.04Å; I358-V559 HydrophobicContact CG2-CG1 4.47Å; I358-V559 HydrophobicContact CG2-CG2 3.92Å; I359-V559 HydrophobicContact CD1-CG1 4.36Å; I359-V559 HydrophobicContact CG1-CG1 4.01Å; Y537-V559 WeakPolarHBondContact OH-CG1 3.33Å; L541-V559 HydrophobicContact CD2-CG2 4.41Å; V555-V559 HydrophobicContact CG1-CG2 4.49Å; V555-V559 WeakPolarHBondContact O-CG2 3.33Å; V555-V559 PolarHBondContact O-N 3.5Å; Y556-V559 WeakPolarHBondContact O-CB 3.45Å; Y556-V559 PolarHBondContact O-N 3.44Å; V559-K561 VanDerWaalsContact C-N 3.28Å; V559-K561 PolarHBondContact O-N 3.37Å; V559-V562 PolarHBondContact O-N 2.86Å; V559-V562 VanDerWaalsContact O-N 3.16Å; V559-E563 HydrophobicContact CG1-CG 4.11Å; V559-E563 WeakPolarHBondContact O-CB 3.29Å; V559-E563 WeakPolarHBondContact O-CG 3.31Å; V559-E563 PolarHBondContact O-N 3.08Å
560L93.8Very high89.3Confident10 Ų1042.4 Ų42.45%0.05223%0.228CC..Hα-helixtrans-60.8-34.6177.5-65.7-175.2000113.1P512 L514 Y556 E558 R564P512-L560 HydrophobicContact CB-CD2 4.31Å; P512-L560 HydrophobicContact CG-CD2 4.08Å; L514-L560 HydrophobicContact CD2-CD2 3.91Å; Y556-L560 HydrophobicContact CD1-CD1 4.14Å; Y556-L560 HydrophobicContact CD1-CG 4.49Å; Y556-L560 HydrophobicContact CE1-CD1 3.48Å; Y556-L560 VanDerWaalsContact CE1-CD1 3.48Å; Y556-L560 HydrophobicContact CE1-CG 4.09Å; Y556-L560 HydrophobicContact CE2-CD2 4.32Å; Y556-L560 HydrophobicContact CE2-CG 4.37Å; Y556-L560 WeakPolarHBondContact O-CG 3.47Å; Y556-L560 PolarHBondContact O-N 3.09Å; E558-L560 VanDerWaalsContact C-N 3.34Å; E558-L560 PolarHBondContact O-N 2.89Å; L560-R564 WeakPolarHBondContact O-CB 3.4Å; L560-R564 WeakPolarHBondContact O-CG 3.48Å; L560-R564 PolarHBondContact O-N 3.4Å; L560-R564 VanDerWaalsContact O-N 3.07Å
561K91.6Very high86.6Confident78 Ų7850.3 Ų50.334%0.33926%0.261SS..Hα-helixtrans-66.7-43.3176.3-74.1173.6-152.8160.30111.5E557 E558 V559 R565E557-K561 WeakPolarHBondContact O-CG 3.41Å; E557-K561 PolarHBondContact O-N 3.38Å; E557-K561 VanDerWaalsContact O-N 3.13Å; E558-K561 WeakPolarHBondContact O-CB 3.5Å; E558-K561 PolarHBondContact O-N 2.87Å; E558-K561 VanDerWaalsContact O-N 3.07Å; E558-K561 WeakPolarHBondContact OE2-CD 3.29Å; E558-K561 IonicContact OE2-NZ 4Å; E558-K561 PolarHBondContact OE2-NZ 3.2Å; V559-K561 VanDerWaalsContact C-N 3.28Å; V559-K561 PolarHBondContact O-N 3.37Å; K561-R565 PolarHBondContact O-N 3.33Å
562V93.5Very high83.7Confident1 Ų147.7 Ų47.71%0.00626%0.263CS..Hα-helixtrans-70.3-43.4178.8-179.70000110.3M331 A355 L356 I359 E558 V559 R564 R565 F566M331-V562 HydrophobicContact SD-CG1 4.24Å; M331-V562 HydrophobicContact SD-CG2 4.15Å; A355-V562 HydrophobicContact CB-CG2 4.29Å; L356-V562 HydrophobicContact CD2-CG1 3.93Å; I359-V562 HydrophobicContact CD1-CB 3.5Å; I359-V562 HydrophobicContact CD1-CG1 3.38Å; E558-V562 WeakPolarHBondContact O-CG2 3.37Å; E558-V562 PolarHBondContact O-N 3.12Å; V559-V562 PolarHBondContact O-N 2.86Å; V559-V562 VanDerWaalsContact O-N 3.16Å; V562-R564 VanDerWaalsContact C-N 3.33Å; V562-R564 PolarHBondContact O-N 2.74Å; V562-R565 WeakPolarHBondContact O-CB 3.09Å; V562-R565 PolarHBondContact O-N 3.45Å; V562-F566 WeakPolarHBondContact O-CB 3.4Å; V562-F566 PolarHBondContact O-N 2.85Å
563E94.7Very high80.5Confident0 Ų054.3 Ų54.30%029%0.291CS..Hα-helixtrans-56-43.7174.9-76.6-179.3167.400112.3I359 K362 Y509 L514 V559 R565 F566 L567I359-E563 HydrophobicContact CD1-CG 3.88Å; I359-E563 HydrophobicContact CG1-CG 4.05Å; K362-E563 IonicContact NZ-OE1 3.32Å; K362-E563 PolarHBondContact NZ-OE1 3.3Å; Y509-E563 HydrophobicContact CE1-CG 4.48Å; Y509-E563 PolarHBondContact OH-OE1 2.87Å; L514-E563 HydrophobicContact CD2-CB 4.17Å; V559-E563 HydrophobicContact CG1-CG 4.11Å; V559-E563 WeakPolarHBondContact O-CB 3.29Å; V559-E563 WeakPolarHBondContact O-CG 3.31Å; V559-E563 PolarHBondContact O-N 3.08Å; E563-R565 VanDerWaalsContact C-N 3.26Å; E563-R565 PolarHBondContact O-N 2.8Å; E563-F566 PolarHBondContact O-N 2.82Å; E563-L567 VanDerWaalsContact O-CB 3.32Å; E563-L567 WeakPolarHBondContact O-CB 3.48Å; E563-L567 WeakPolarHBondContact O-CG 3.35Å; E563-L567 PolarHBondContact O-N 2.83Å
564R92.3Very high77.6Confident75 Ų7559.7 Ų59.728%0.28333%0.325SS..Hα-helixtrans-58.7-36.8175.7-77.3177.8-141.1124.50.3112.6L514 L560 V562 G568L514-R564 HydrophobicContact CB-CG 4.02Å; L514-R564 HydrophobicContact CD1-CG 4.46Å; L514-R564 HydrophobicContact CD2-CG 4.26Å; L514-R564 HydrophobicContact CG-CG 4.47Å; L560-R564 WeakPolarHBondContact O-CB 3.4Å; L560-R564 WeakPolarHBondContact O-CG 3.48Å; L560-R564 PolarHBondContact O-N 3.4Å; L560-R564 VanDerWaalsContact O-N 3.07Å; V562-R564 VanDerWaalsContact C-N 3.33Å; V562-R564 PolarHBondContact O-N 2.74Å; R564-G568 WeakPolarHBondContact O-CA 3.05Å; R564-G568 PolarHBondContact O-N 3.3Å; R564-G568 VanDerWaalsContact O-N 3.08Å
565R91.8Very high74.7Confident126 Ų12669.7 Ų69.748%0.47536%0.356SS..Hα-helixtrans-74.8-50.9177.4-66.3178.6-176.81790.3110.9A329 K561 V562 E563 L567 G568 S569A329-R565 HydrophobicContact CB-CB 4.01Å; K561-R565 PolarHBondContact O-N 3.33Å; V562-R565 WeakPolarHBondContact O-CB 3.09Å; V562-R565 PolarHBondContact O-N 3.45Å; E563-R565 VanDerWaalsContact C-N 3.26Å; E563-R565 PolarHBondContact O-N 2.8Å; R565-L567 PolarHBondContact O-N 2.88Å; R565-G568 PolarHBondContact O-N 3.45Å; R565-S569 WeakPolarHBondContact O-CB 3.25Å; R565-S569 PolarHBondContact O-N 3.45Å
566F90.8Very high71.6Confident26 Ų2674.2 Ų74.211%0.11439%0.394CS..Hα-helixtrans-57.5-49.9-179.1175-112.3000112.5I325 K328 A329 V562 E563I325-F566 HydrophobicContact CB-CD2 4.41Å; I325-F566 HydrophobicContact CB-CE2 4.39Å; I325-F566 HydrophobicContact CG1-CD2 4.44Å; I325-F566 HydrophobicContact CG1-CE2 4Å; I325-F566 HydrophobicContact CG1-CZ 4.39Å; I325-F566 HydrophobicContact CG2-CD2 3.98Å; I325-F566 HydrophobicContact CG2-CE2 4.38Å; I325-F566 HydrophobicContact CG2-CG 4.39Å; K328-F566 HydrophobicContact CB-CD2 3.87Å; K328-F566 HydrophobicContact CB-CE2 4.05Å; K328-F566 HydrophobicContact CD-CD2 4.45Å; K328-F566 HydrophobicContact CD-CE2 3.8Å; A329-F566 HydrophobicContact CB-CB 4.33Å; V562-F566 WeakPolarHBondContact O-CB 3.4Å; V562-F566 PolarHBondContact O-N 2.85Å; E563-F566 PolarHBondContact O-N 2.82Å
567L89.5Confident68.6Low50 Ų5085.4 Ų85.426%0.26244%0.436SS..Hα-helixtrans-81.8-29.7-179-61.1171.7000112.7Y509 H511 L514 E563 R565 S570Y509-L567 HydrophobicContact CD1-CD1 4.1Å; Y509-L567 HydrophobicContact CD1-CD2 4.2Å; Y509-L567 HydrophobicContact CE1-CD1 3.99Å; H511-L567 HydrophobicContact CB-CD1 4.3Å; H511-L567 VanDerWaalsContact CD2-CD1 3.42Å; H511-L567 WeakPolarHBondContact CD2-CD1 3.21Å; L514-L567 HydrophobicContact CD1-CD1 3.78Å; E563-L567 VanDerWaalsContact O-CB 3.32Å; E563-L567 WeakPolarHBondContact O-CB 3.48Å; E563-L567 WeakPolarHBondContact O-CG 3.35Å; E563-L567 PolarHBondContact O-N 2.83Å; R565-L567 PolarHBondContact O-N 2.88Å; L567-S570 WeakPolarHBondContact O-CB 3.46Å
568G78Confident65.7Low44 Ų4488.7 Ų88.745%0.45447%0.468SS..Hα-helixtrans-70.2-33.9178.500000113.6R564 R565 S570 K571R564-G568 WeakPolarHBondContact O-CA 3.05Å; R564-G568 PolarHBondContact O-N 3.3Å; R564-G568 VanDerWaalsContact O-N 3.08Å; R565-G568 PolarHBondContact O-N 3.45Å; G568-S570 PolarHBondContact O-N 2.98Å; G568-K571 PolarHBondContact O-N 3.1Å
569S59.8Low62.8Low65 Ų6594.3 Ų94.346%0.45550%0.504SS..G310 helixtrans-60.5-26.3177.5-169.80000113.1K328 R565 K571 S572K328-S569 WeakPolarHBondContact O-CB 3.46Å; K328-S569 PolarHBondContact O-OG 2.72Å; K328-S569 VanDerWaalsContact O-OG 3.08Å; R565-S569 WeakPolarHBondContact O-CB 3.25Å; R565-S569 PolarHBondContact O-N 3.45Å; S569-K571 PolarHBondContact O-N 2.95Å; S569-S572 PolarHBondContact O-OG 3.04Å
570S49.2Very low59.9Low107 Ų107100.2 Ų100.275%0.74854%0.542SS*.G310 helixtrans-66.5-14.3177.2-166.50000114.3L567 G568L567-S570 WeakPolarHBondContact O-CB 3.46Å; G568-S570 PolarHBondContact O-N 2.98Å
571K40.8Very low56.9Low184 Ų184111.6 Ų111.680%0.858%0.584SS**G310 helixtrans-97.624.4179.5-66.8-172.9-179.21790114.8G568 S569 Q573G568-K571 PolarHBondContact O-N 3.1Å; S569-K571 PolarHBondContact O-N 2.95Å; K571-Q573 PolarHBondContact O-N 3.48Å
572S32.3Very low54.1Low106 Ų106117.6 Ų117.674%0.74161%0.61SS**  trans-71.197.3168.652.50000110.2S569S569-S572 PolarHBondContact O-OG 3.04Å
573Q29.2Very low51.2Low171 Ų171124.3 Ų124.380%0.79965%0.652SS**  trans-56.5148.1175.1-76.3-163.9-21.900112.2K571 R575K571-Q573 PolarHBondContact O-N 3.48Å; Q573-R575 PolarHBondContact O-N 3.01Å
574P33.4Very low48.2Very low120 Ų120133 Ų13378%0.77969%0.692SS**  trans-60133168.225.7-31.4000109.1A576P574-A576 PolarHBondContact O-N 3.29Å
575R32.4Very low45.4Very low251 Ų251135.1 Ų135.195%0.94772%0.716SS**  trans-48.6102.9174.4-85.1178.4167.2176.4-3.5109.9Q573 R577Q573-R575 PolarHBondContact O-N 3.01Å; R575-R577 PolarHBondContact O-N 2.84Å; R575-R577 VanDerWaalsContact O-N 3.16Å
576A32.6Very low42.7Very low95 Ų95139.2 Ų139.279%0.78574%0.737SS**  trans-61.3118.2165.600000107.6P574 A578P574-A576 PolarHBondContact O-N 3.29Å; A576-A578 PolarHBondContact O-N 2.87Å; A576-A578 VanDerWaalsContact O-N 3.16Å
577R32.8Very low39.9Very low242 Ų242147.9 Ų147.991%0.91378%0.775SS**  trans-47.2120.5170.6-90.2174.7165.9173.7-4.5109.1R575 T579R575-R577 PolarHBondContact O-N 2.84Å; R575-R577 VanDerWaalsContact O-N 3.16Å; R577-T579 PolarHBondContact O-N 3.31Å; R577-T579 VanDerWaalsContact O-N 3.15Å
578A31.7Very low37.1Very low102 Ų102153.8 Ų153.884%0.84381%0.806SS**  trans-60.4115.1170.500000109.3A576A576-A578 PolarHBondContact O-N 2.87Å; A576-A578 VanDerWaalsContact O-N 3.16Å
579T33.6Very low35Very low128 Ų128160.9 Ų160.979%0.78583%0.827SS**PPolyproline II helixtrans-74.4138.6164.230.20000109.3R577 R581R577-T579 PolarHBondContact O-N 3.31Å; R577-T579 VanDerWaalsContact O-N 3.15Å; T579-R581 PolarHBondContact O-N 2.99Å
580P34.1Very low33.7Very low123 Ų123167.9 Ų167.980%0.79985%0.849SS**PPolyproline II helixtrans-72.5130.6-176.226.2-27.7000110.5K582P580-K582 PolarHBondContact O-N 3.37Å
581R30.8Very low32.8Very low249 Ų249173.9 Ų173.994%0.9486%0.855SS**PPolyproline II helixtrans-61120.2178.1-119.8175.4174.1-179.4-1.8110.2T579 T583T579-R581 PolarHBondContact O-N 2.99Å; R581-T583 PolarHBondContact O-N 3.17Å
582K33.2Very low32.4Very low204 Ų204175.2 Ų175.289%0.88786%0.861SS**PPolyproline II helixtrans-65.7124.4164.8-80-179.3175.6177.90109.8P580P580-K582 PolarHBondContact O-N 3.37Å
583T33.3Very low32.5Very low143 Ų143178.8 Ų178.888%0.87787%0.866SS**PPolyproline II helixtrans-67.3131.5170.8-3.30000110.3R581R581-T583 PolarHBondContact O-N 3.17Å
584Q31.8Very low32.8Very low183 Ų183177.4 Ų177.486%0.85587%0.869SS**  trans-123.4151.2163.8-85.5-161.6-0.100110.6
585P32.2Very low32.7Very low119 Ų119177.4 Ų177.477%0.77387%0.872SS**PPolyproline II helixtrans-88.5151.8-154.334.4-33.9000114.3
586K34.4Very low32.8Very low212 Ų212175.6 Ų175.692%0.92287%0.871SS**PPolyproline II helixtrans-61.7130178.6-70.6174.7174.4176.50111.9
587K32Very low32.9Very low208 Ų208177.5 Ų177.590%0.90487%0.873SS**PPolyproline II helixtrans-89.4128.9166.2-79.1-176.9176.5178.30110.6
588L31.5Very low32.9Very low174 Ų174172 Ų17291%0.91187%0.871SS**PPolyproline II helixtrans-71.9141177.7-124.984.9000111.9
589H33.6Very low33.2Very low193 Ų193172.6 Ų172.689%0.89487%0.868SS**PPolyproline II helixtrans-70.5136.1173-87.8-58.5000112.6
590K32.5Very low33.3Very low211 Ų211181.9 Ų181.992%0.91789%0.889SS**  trans-108.3120.2163.8-112.7-178.8179.8-179.50110.6
591R31.7Very low33.2Very low234 Ų234184.8 Ų184.888%0.88389%0.893SS**  trans-63.9135.8174.7-126.4167.5161.6-179.6-6.2110.6
592K32.2Very low33.3Very low212 Ų212181.4 Ų181.492%0.92289%0.891SS**  trans-92.6121.4162.8-87.9-178.3174.1179.70108.5
593Q33.3Very low33.3Very low181 Ų181180.2 Ų180.285%0.84689%0.891SS**  trans-107130.3163.1-105177.3-11.100108.4
594T35.1Very low33.4Very low142 Ų142182.4 Ų182.487%0.87189%0.892SS**  trans-83.6136.6171.944.70000110.2
595S32.1Very low33.5Very low120 Ų120182.3 Ų182.384%0.83989%0.894SS**  trans-136.9112.515858.70000109.4
596K34.9Very low33.5Very low212 Ų212186.5 Ų186.592%0.92290%0.902SS**  trans-77.6129.4163-82.3178.4172179.70108.3
597T34.4Very low33.5Very low136 Ų136184.7 Ų184.783%0.83490%0.901SS**  trans-80.2133.7160.439.60000109.7
598C31.8Very low33.6Very low127 Ų127182.9 Ų182.986%0.85890%0.9SS**  163.7135.2101.4-149.10000110.8
599S38.5Very low33.8Very low113 Ų113183.7 Ų183.779%0.7990%0.9SS**  trans-82.9126.2172.2-48.80000110.6
600R35.1Very low33.8Very low323 Ų323182.8 Ų182.8100%1.21990%0.9SS**  169.30115.7-114.3-177.9175.9-176.1-1109.8

Retrieved 600 of 600 residues in 1368.3 ms (Link to these results)

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