A0A093HL14_STRCA Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB , UniProt , Accession A0A093HL14, Species STRCA (Struthio camelus australis), Gene n/a, Length 219 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
1M46.1Very low80.7Confident217 Ų21770.5 Ų70.5100%1.06939%0.394SS*.  0139.10-58-165.8-16500108.9S3M1-S3 PolarHBondContact O-N 3.36Å
2A55.7Low82Confident15 Ų1569.8 Ų69.812%0.12439%0.388CS..  trans-64.6128.8165.500000108.8L6 S184A2-L6 HydrophobicContact CB-CD2 4.34Å; A2-S184 VanDerWaalsContact CB-OG 3.28Å; A2-S184 WeakPolarHBondContact CB-OG 3.41Å
3S75.2Confident83Confident78 Ų7865.8 Ų65.855%0.54537%0.365SS..  trans-56.6140.7177159.80000109.9M1 G5 L6 Q7M1-S3 PolarHBondContact O-N 3.36Å; S3-G5 PolarHBondContact O-N 3.42Å; S3-G5 VanDerWaalsContact O-N 3.17Å; S3-G5 PolarHBondContact OG-N 3.18Å; S3-G5 VanDerWaalsContact OG-N 3.08Å; S3-L6 WeakPolarHBondContact O-CB 3.17Å; S3-L6 PolarHBondContact O-N 3.17Å; S3-Q7 PolarHBondContact O-N 3.08Å
4A78.3Confident84Confident61 Ų6161.1 Ų61.150%0.50434%0.339SS..Hα-helixtrans-54.7-31.6172.500000111.7L6 Q7 F8A4-L6 VanDerWaalsContact C-N 3.33Å; A4-L6 PolarHBondContact O-N 3.4Å; A4-Q7 PolarHBondContact O-N 3.42Å; A4-F8 PolarHBondContact O-N 2.92Å; A4-F8 VanDerWaalsContact O-N 3.13Å
5G85.3Confident84.8Confident43 Ų4362.3 Ų62.344%0.44334%0.344SS..Hα-helixtrans-63.8-34.217400000113.5S3 F8 F9S3-G5 PolarHBondContact O-N 3.42Å; S3-G5 VanDerWaalsContact O-N 3.17Å; S3-G5 PolarHBondContact OG-N 3.18Å; S3-G5 VanDerWaalsContact OG-N 3.08Å; G5-F8 PolarHBondContact O-N 3.04Å; G5-F9 WeakPolarHBondContact O-CB 3.49Å; G5-F9 PolarHBondContact O-N 3.38Å
6L88.3Confident85.6Confident70 Ų7066.6 Ų66.637%0.36636%0.358SS..Hα-helixtrans-70.7-39178.6-174.365000111.8A2 S3 A4 F8 F9 A10 I180A2-L6 HydrophobicContact CB-CD2 4.34Å; S3-L6 WeakPolarHBondContact O-CB 3.17Å; S3-L6 PolarHBondContact O-N 3.17Å; A4-L6 VanDerWaalsContact C-N 3.33Å; A4-L6 PolarHBondContact O-N 3.4Å; L6-F8 VanDerWaalsContact C-N 3.35Å; L6-F9 PolarHBondContact O-N 3.29Å; L6-A10 WeakPolarHBondContact O-CB 3.29Å; L6-A10 PolarHBondContact O-N 3.39Å; L6-I180 HydrophobicContact CD1-CG2 3.99Å; L6-I180 HydrophobicContact CD2-CG2 4.02Å; L6-I180 HydrophobicContact CG-CG2 3.62Å
7Q88.4Confident86.2Confident14 Ų1462.6 Ų62.67%0.06534%0.337CS..Hα-helixtrans-65.2-39.6174.2-71.3-171.7-23.700111.7S3 A4 A10 F11S3-Q7 PolarHBondContact O-N 3.08Å; A4-Q7 PolarHBondContact O-N 3.42Å; Q7-A10 PolarHBondContact O-N 3.26Å; Q7-F11 WeakPolarHBondContact O-CB 3.41Å; Q7-F11 PolarHBondContact O-N 3.49Å
8F90.3Very high86.8Confident119 Ų11960.4 Ų60.452%0.52233%0.325SS..Hα-helixtrans-67.4-42.5177.5-169.1-104.8000112A4 G5 L6 A10 F11 I12A4-F8 PolarHBondContact O-N 2.92Å; A4-F8 VanDerWaalsContact O-N 3.13Å; G5-F8 PolarHBondContact O-N 3.04Å; L6-F8 VanDerWaalsContact C-N 3.35Å; F8-A10 PolarHBondContact O-N 3.31Å; F8-F11 WeakPolarHBondContact O-CB 3.31Å; F8-F11 PolarHBondContact O-N 3.26Å; F8-I12 HydrophobicContact CD1-CD1 3.71Å; F8-I12 HydrophobicContact CD1-CG1 4.49Å; F8-I12 HydrophobicContact CE1-CD1 3.41Å; F8-I12 VanDerWaalsContact CE1-CD1 3.41Å; F8-I12 HydrophobicContact CE1-CG1 4.27Å; F8-I12 HydrophobicContact CZ-CD1 4.11Å; F8-I12 WeakPolarHBondContact O-CG1 3.49Å; F8-I12 PolarHBondContact O-N 3.28Å
9F93Very high87.3Confident117 Ų11764.6 Ų64.651%0.51334%0.34SS..Hα-helixtrans-60.2-45174.4180-109000112.1G5 L6 F11 I12 L13G5-F9 WeakPolarHBondContact O-CB 3.49Å; G5-F9 PolarHBondContact O-N 3.38Å; L6-F9 PolarHBondContact O-N 3.29Å; F9-F11 VanDerWaalsContact C-N 3.3Å; F9-F11 PolarHBondContact O-N 2.6Å; F9-I12 PolarHBondContact O-N 3.14Å; F9-L13 HydrophobicContact CD1-CD1 3.57Å; F9-L13 HydrophobicContact CE1-CD1 3.21Å; F9-L13 HydrophobicContact CE1-CG 4.27Å; F9-L13 HydrophobicContact CE2-CD1 4.32Å; F9-L13 HydrophobicContact CG-CD1 4.28Å; F9-L13 HydrophobicContact CZ-CD1 3.63Å; F9-L13 HydrophobicContact CZ-CG 4.24Å; F9-L13 PolarHBondContact O-N 3.36Å
10A93.7Very high87.7Confident0 Ų061.8 Ų61.80%033%0.327CS..Hα-helixtrans-61.9-37.3175.200000112.7L6 Q7 F8 L13 A14 A177 I180 F181L6-A10 WeakPolarHBondContact O-CB 3.29Å; L6-A10 PolarHBondContact O-N 3.39Å; Q7-A10 PolarHBondContact O-N 3.26Å; F8-A10 PolarHBondContact O-N 3.31Å; A10-L13 PolarHBondContact O-N 2.87Å; A10-A14 WeakPolarHBondContact O-CB 3.36Å; A10-A14 PolarHBondContact O-N 3.35Å; A10-A177 WeakPolarHBondContact O-CB 3.27Å; A10-I180 HydrophobicContact CB-CB 3.89Å; A10-I180 HydrophobicContact CB-CD1 4.25Å; A10-I180 HydrophobicContact CB-CG2 3.64Å; A10-F181 HydrophobicContact CB-CD2 4.17Å; A10-F181 HydrophobicContact CB-CE1 4.48Å; A10-F181 HydrophobicContact CB-CE2 3.77Å; A10-F181 HydrophobicContact CB-CZ 3.94Å
11F93.8Very high88Confident41 Ų4158.9 Ų58.918%0.1831%0.312CS..Hα-helixtrans-64.2-42.8175.7-173.8-102.3000112.1Q7 F8 F9 A14 L15 I95 M102 F181Q7-F11 WeakPolarHBondContact O-CB 3.41Å; Q7-F11 PolarHBondContact O-N 3.49Å; F8-F11 WeakPolarHBondContact O-CB 3.31Å; F8-F11 PolarHBondContact O-N 3.26Å; F9-F11 VanDerWaalsContact C-N 3.3Å; F9-F11 PolarHBondContact O-N 2.6Å; F11-A14 WeakPolarHBondContact O-CB 3.49Å; F11-A14 PolarHBondContact O-N 3.19Å; F11-L15 HydrophobicContact CD1-CD1 3.98Å; F11-L15 HydrophobicContact CE1-CD1 3.68Å; F11-L15 HydrophobicContact CE1-CG 4.23Å; F11-L15 HydrophobicContact CZ-CD1 4.41Å; F11-L15 WeakPolarHBondContact O-CG 3.19Å; F11-L15 PolarHBondContact O-N 3.44Å; F11-I95 HydrophobicContact CE2-CD1 3.99Å; F11-I95 HydrophobicContact CE2-CG1 3.75Å; F11-I95 HydrophobicContact CZ-CD1 4.11Å; F11-I95 HydrophobicContact CZ-CG1 4.24Å; F11-M102 HydrophobicContact CB-CE 3.97Å; F11-M102 HydrophobicContact CB-SD 4.13Å; F11-M102 HydrophobicContact CD2-CE 4.4Å; F11-M102 HydrophobicContact CD2-SD 3.56Å; F11-M102 VanDerWaalsContact CD2-SD 3.56Å; F11-M102 HydrophobicContact CE2-SD 4.12Å; F11-M102 HydrophobicContact CG-CE 4.13Å; F11-M102 HydrophobicContact CG-SD 3.9Å; F11-F181 HydrophobicContact CB-CZ 4.19Å
12I95.6Very high90.3Very high62 Ų6252.1 Ų52.132%0.31828%0.279SS..Hα-helixtrans-63.1-45.3175.2-68.6170000111F8 F9 A14 L15 F16F8-I12 HydrophobicContact CD1-CD1 3.71Å; F8-I12 HydrophobicContact CD1-CG1 4.49Å; F8-I12 HydrophobicContact CE1-CD1 3.41Å; F8-I12 VanDerWaalsContact CE1-CD1 3.41Å; F8-I12 HydrophobicContact CE1-CG1 4.27Å; F8-I12 HydrophobicContact CZ-CD1 4.11Å; F8-I12 WeakPolarHBondContact O-CG1 3.49Å; F8-I12 PolarHBondContact O-N 3.28Å; F9-I12 PolarHBondContact O-N 3.14Å; I12-A14 VanDerWaalsContact C-N 3.3Å; I12-A14 PolarHBondContact O-N 3.09Å; I12-L15 WeakPolarHBondContact O-CB 3.4Å; I12-L15 PolarHBondContact O-N 2.96Å; I12-F16 HydrophobicContact CG2-CD2 3.68Å; I12-F16 HydrophobicContact CG2-CE2 3.42Å; I12-F16 VanDerWaalsContact CG2-CE2 3.42Å; I12-F16 VanDerWaalsContact O-CD2 3.23Å; I12-F16 WeakPolarHBondContact O-CD2 3.32Å; I12-F16 PolarHBondContact O-N 3.2Å
13L96Very high92.1Very high19 Ų1953 Ų5310%0.09928%0.283CS..Hα-helixtrans-57.1-44174.3-83.2157.3000111.9F9 A10 L15 F16 G17 F173 I176 A177 I180F9-L13 HydrophobicContact CD1-CD1 3.57Å; F9-L13 HydrophobicContact CE1-CD1 3.21Å; F9-L13 HydrophobicContact CE1-CG 4.27Å; F9-L13 HydrophobicContact CE2-CD1 4.32Å; F9-L13 HydrophobicContact CG-CD1 4.28Å; F9-L13 HydrophobicContact CZ-CD1 3.63Å; F9-L13 HydrophobicContact CZ-CG 4.24Å; F9-L13 PolarHBondContact O-N 3.36Å; A10-L13 PolarHBondContact O-N 2.87Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.42Å; L13-F16 PolarHBondContact O-N 3.08Å; L13-G17 PolarHBondContact O-N 3.42Å; L13-F173 HydrophobicContact CD2-CB 4.32Å; L13-F173 HydrophobicContact CD2-CD1 3.69Å; L13-F173 HydrophobicContact CD2-CE1 4.19Å; L13-F173 HydrophobicContact CD2-CG 4.06Å; L13-I176 HydrophobicContact CD1-CG2 4.1Å; L13-A177 HydrophobicContact CB-CB 4.17Å; L13-I180 HydrophobicContact CD1-CD1 4.37Å
14A96.2Very high93Very high0 Ų049.2 Ų49.20%026%0.257CS..Hα-helixtrans-61.2-41.6176.800000111.9A10 F11 I12 G17 I18 F125 A177A10-A14 WeakPolarHBondContact O-CB 3.36Å; A10-A14 PolarHBondContact O-N 3.35Å; F11-A14 WeakPolarHBondContact O-CB 3.49Å; F11-A14 PolarHBondContact O-N 3.19Å; I12-A14 VanDerWaalsContact C-N 3.3Å; I12-A14 PolarHBondContact O-N 3.09Å; A14-G17 PolarHBondContact O-N 3Å; A14-I18 VanDerWaalsContact O-CG1 3.24Å; A14-I18 WeakPolarHBondContact O-CG1 3.28Å; A14-I18 PolarHBondContact O-N 2.91Å; A14-F125 HydrophobicContact CB-CE1 4.07Å; A14-F125 HydrophobicContact CB-CE2 3.95Å; A14-F125 HydrophobicContact CB-CZ 3.68Å; A14-A177 HydrophobicContact CB-CB 3.88Å
15L96.5Very high93.6Very high79 Ų7946.8 Ų46.841%0.41424%0.236SC..Hα-helixtrans-60.6-46.5175.9-74.4171.1000112.4F11 I12 L13 G17 I18 F19 I95F11-L15 HydrophobicContact CD1-CD1 3.98Å; F11-L15 HydrophobicContact CE1-CD1 3.68Å; F11-L15 HydrophobicContact CE1-CG 4.23Å; F11-L15 HydrophobicContact CZ-CD1 4.41Å; F11-L15 WeakPolarHBondContact O-CG 3.19Å; F11-L15 PolarHBondContact O-N 3.44Å; I12-L15 WeakPolarHBondContact O-CB 3.4Å; I12-L15 PolarHBondContact O-N 2.96Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.42Å; L15-G17 VanDerWaalsContact C-N 3.32Å; L15-G17 PolarHBondContact O-N 3.49Å; L15-I18 PolarHBondContact O-N 2.94Å; L15-F19 WeakPolarHBondContact O-CB 3.42Å; L15-F19 PolarHBondContact O-N 3.32Å; L15-I95 HydrophobicContact CD2-CD1 3.33Å; L15-I95 HydrophobicContact CG-CD1 4.03Å
16F97.2Very high93.8Very high130 Ų13050.2 Ų50.257%0.5724%0.243SC*.Hα-helixtrans-64.2-38.3175.2-75.9-65.3000112.1I12 L13 F19 G20 F173I12-F16 HydrophobicContact CG2-CD2 3.68Å; I12-F16 HydrophobicContact CG2-CE2 3.42Å; I12-F16 VanDerWaalsContact CG2-CE2 3.42Å; I12-F16 VanDerWaalsContact O-CD2 3.23Å; I12-F16 WeakPolarHBondContact O-CD2 3.32Å; I12-F16 PolarHBondContact O-N 3.2Å; L13-F16 PolarHBondContact O-N 3.08Å; F16-F19 PolarHBondContact O-N 2.93Å; F16-G20 PolarHBondContact O-N 3.17Å; F16-F173 HydrophobicContact CB-CD2 3.98Å; F16-F173 HydrophobicContact CB-CE2 4.32Å
17G96.6Very high93.7Very high0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-59.3-50.3173.800000112.5L13 A14 L15 F19 G20 D21L13-G17 PolarHBondContact O-N 3.42Å; A14-G17 PolarHBondContact O-N 3Å; L15-G17 VanDerWaalsContact C-N 3.32Å; L15-G17 PolarHBondContact O-N 3.49Å; G17-F19 PolarHBondContact O-N 3.49Å; G17-G20 PolarHBondContact O-N 3.21Å; G17-D21 WeakPolarHBondContact O-CB 3.06Å; G17-D21 PolarHBondContact O-N 2.82Å
18I96.6Very high93.5Very high23 Ų2350.4 Ų50.412%0.11825%0.247CC..Hα-helixtrans-60.9-47177.8-66161.7000110.8A14 L15 G20 D21 I22 I95 F125 L174A14-I18 VanDerWaalsContact O-CG1 3.24Å; A14-I18 WeakPolarHBondContact O-CG1 3.28Å; A14-I18 PolarHBondContact O-N 2.91Å; L15-I18 PolarHBondContact O-N 2.94Å; I18-G20 VanDerWaalsContact C-N 3.31Å; I18-G20 PolarHBondContact O-N 2.69Å; I18-D21 PolarHBondContact O-N 3.47Å; I18-I22 HydrophobicContact CG2-CD1 3.79Å; I18-I22 HydrophobicContact CG2-CG1 4.45Å; I18-I22 WeakPolarHBondContact O-CG1 3.15Å; I18-I22 PolarHBondContact O-N 3.29Å; I18-I95 HydrophobicContact CD1-CB 3.86Å; I18-I95 HydrophobicContact CD1-CD1 3.64Å; I18-I95 HydrophobicContact CD1-CG1 4.33Å; I18-I95 HydrophobicContact CD1-CG2 4.07Å; I18-F125 HydrophobicContact CD1-CE1 4.14Å; I18-L174 HydrophobicContact CG1-CD2 4.09Å
19F96.4Very high93.3Very high140 Ų14047 Ų4761%0.61423%0.234SC*.Hα-helixtrans-61.7-42.2179.2-177-98.6000111.6L15 F16 G17 T23L15-F19 WeakPolarHBondContact O-CB 3.42Å; L15-F19 PolarHBondContact O-N 3.32Å; F16-F19 PolarHBondContact O-N 2.93Å; G17-F19 PolarHBondContact O-N 3.49Å; F19-T23 VanDerWaalsContact O-CB 3.29Å; F19-T23 WeakPolarHBondContact O-CB 3.43Å; F19-T23 PolarHBondContact O-N 2.06Å; F19-T23 PolarHBondContact O-OG1 3.29Å
20G94.8Very high92.9Very high8 Ų841.5 Ų41.58%0.08221%0.21CC..Hα-helixtrans-63-42174.900000112.7F16 G17 I18 T23 A24 I166F16-G20 PolarHBondContact O-N 3.17Å; G17-G20 PolarHBondContact O-N 3.21Å; I18-G20 VanDerWaalsContact C-N 3.31Å; I18-G20 PolarHBondContact O-N 2.69Å; G20-T23 PolarHBondContact O-N 3.24Å; G20-A24 VanDerWaalsContact O-CB 3.32Å; G20-A24 WeakPolarHBondContact O-CB 3.17Å; G20-A24 PolarHBondContact O-N 3.47Å; G20-I166 WeakPolarHBondContact O-CG2 3.36Å
21D94.6Very high92.3Very high1 Ų142.5 Ų42.51%0.00521%0.214CC..Hα-helixtrans-65.8-43.3-180-161.144.6000111.7G17 I18 A24 T25 S87 C88 A170 L174G17-D21 WeakPolarHBondContact O-CB 3.06Å; G17-D21 PolarHBondContact O-N 2.82Å; I18-D21 PolarHBondContact O-N 3.47Å; D21-A24 PolarHBondContact O-N 3Å; D21-T25 WeakPolarHBondContact O-CB 3.43Å; D21-T25 PolarHBondContact O-N 3.01Å; D21-T25 PolarHBondContact O-OG1 3.4Å; D21-S87 WeakPolarHBondContact OD2-CB 3.38Å; D21-S87 PolarHBondContact OD2-OG 3.41Å; D21-C88 PolarHBondContact OD2-N 3.21Å; D21-A170 HydrophobicContact CB-CB 4.4Å; D21-L174 HydrophobicContact CB-CD1 4.4Å
22I94.9Very high91.7Very high74 Ų7441.2 Ų41.238%0.37921%0.21SC..Hα-helixtrans-62.4-46.2173.3-66.5169.1000110.3I18 T25 L26I18-I22 HydrophobicContact CG2-CD1 3.79Å; I18-I22 HydrophobicContact CG2-CG1 4.45Å; I18-I22 WeakPolarHBondContact O-CG1 3.15Å; I18-I22 PolarHBondContact O-N 3.29Å; I22-T25 WeakPolarHBondContact O-CB 3.22Å; I22-T25 PolarHBondContact O-N 3.34Å; I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.47Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 2.88Å
23T93.6Very high90.5Very high33 Ų3339.4 Ų39.420%0.20220%0.2CC..Hα-helixtrans-62.1-46.1179.9-59.20000111.2F19 G20 T25 L26 L27 I166F19-T23 VanDerWaalsContact O-CB 3.29Å; F19-T23 WeakPolarHBondContact O-CB 3.43Å; F19-T23 PolarHBondContact O-N 2.06Å; F19-T23 PolarHBondContact O-OG1 3.29Å; G20-T23 PolarHBondContact O-N 3.24Å; T23-T25 VanDerWaalsContact C-N 3.29Å; T23-T25 PolarHBondContact O-N 3.26Å; T23-L26 PolarHBondContact O-N 3.01Å; T23-L27 HydrophobicContact CG2-CD1 3.79Å; T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 PolarHBondContact O-N 3.14Å; T23-I166 HydrophobicContact CG2-CD1 4.48Å
24A92.4Very high88.8Confident0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-60.9-39.1175.300000111.5G20 D21 L26 W30 I166G20-A24 VanDerWaalsContact O-CB 3.32Å; G20-A24 WeakPolarHBondContact O-CB 3.17Å; G20-A24 PolarHBondContact O-N 3.47Å; D21-A24 PolarHBondContact O-N 3Å; A24-L26 PolarHBondContact O-N 3.33Å; A24-W30 PolarHBondContact O-NE1 3.39Å; A24-I166 HydrophobicContact CB-CG2 4.24Å
25T90.9Very high87Confident10 Ų1041.6 Ų41.66%0.06122%0.217CC..Hα-helixtrans-65-39177.6-59.50000112.3D21 I22 T23 W51 M84D21-T25 WeakPolarHBondContact O-CB 3.43Å; D21-T25 PolarHBondContact O-N 3.01Å; D21-T25 PolarHBondContact O-OG1 3.4Å; I22-T25 WeakPolarHBondContact O-CB 3.22Å; I22-T25 PolarHBondContact O-N 3.34Å; T23-T25 VanDerWaalsContact C-N 3.29Å; T23-T25 PolarHBondContact O-N 3.26Å; T25-W51 PolarHBondContact O-NE1 2.92Å; T25-W51 VanDerWaalsContact O-NE1 3.08Å; T25-M84 HydrophobicContact CG2-CB 4.32Å
26L89.1Confident84.9Confident114 Ų11442.6 Ų42.660%0.59723%0.226SC*.Hα-helixtrans-86.8-27.6-175.3-66175.1000113.9I22 T23 A24I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.47Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 2.88Å; T23-L26 PolarHBondContact O-N 3.01Å; A24-L26 PolarHBondContact O-N 3.33Å
27L87.6Confident82.5Confident56 Ų5637.1 Ų37.129%0.29321%0.206SC..  trans-65134.2-175.1-11665.6000112T23 N29 W30 A163 I166T23-L27 HydrophobicContact CG2-CD1 3.79Å; T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 PolarHBondContact O-N 3.14Å; L27-N29 PolarHBondContact O-N 3.05Å; L27-W30 VanDerWaalsContact O-CD1 3.3Å; L27-A163 HydrophobicContact CB-CB 3.9Å; L27-A163 HydrophobicContact CD2-CB 4.33Å; L27-I166 HydrophobicContact CD2-CD1 4.09Å
28P83.4Confident80.1Confident33 Ų3343 Ų4321%0.21425%0.247CC..SBendtrans-78.19.1174.130.8-34.1000113.8M47 Q48 G49 M52P28-M47 CarbonylContact O-C 3.49Å; P28-Q48 CarbonylContact O-C 3.07Å; P28-Q48 VanDerWaalsContact O-O 3.12Å; P28-G49 VanDerWaalsContact O-CA 3.29Å; P28-G49 WeakPolarHBondContact O-CA 3.03Å; P28-G49 PolarHBondContact O-N 3.37Å; P28-G49 VanDerWaalsContact O-N 3.13Å; P28-M52 HydrophobicContact CB-CG 4.07Å; P28-M52 HydrophobicContact CB-SD 4.39Å; P28-M52 HydrophobicContact CG-SD 4.46Å
29N85.7Confident77.8Confident47 Ų4749.1 Ų49.125%0.25128%0.28SS..  trans-108.957.7-170.3-166.8-14.4000111.5L27 V32 M47 G161 G162 A163L27-N29 PolarHBondContact O-N 3.05Å; N29-V32 WeakPolarHBondContact OD1-CG2 3.22Å; N29-M47 HydrophobicContact CB-SD 4.39Å; N29-G161 CarbonylContact O-C 3.16Å; N29-G161 VanDerWaalsContact O-CA 3.24Å; N29-G161 WeakPolarHBondContact O-CA 3.39Å; N29-G161 WeakPolarHBondContact OD1-CA 3.05Å; N29-G162 PolarHBondContact O-N 3.01Å; N29-G162 PolarHBondContact OD1-N 3.36Å; N29-A163 WeakPolarHBondContact O-CB 3.49Å; N29-A163 PolarHBondContact O-N 2.93Å
30W85.4Confident75.6Confident1 Ų146.5 Ų46.50%0.00427%0.272CS..SBendtrans-90.4-38.3175.2-84.670.6000112A24 L27 Q48 L50 M84 P135 T136 Y139 G161 A163 V164A24-W30 PolarHBondContact O-NE1 3.39Å; L27-W30 VanDerWaalsContact O-CD1 3.3Å; W30-Q48 WeakPolarHBondContact CB-O 3.13Å; W30-Q48 PolarHBondContact N-O 3.47Å; W30-Q48 VanDerWaalsContact N-O 3.1Å; W30-L50 HydrophobicContact CD2-CD1 3.82Å; W30-L50 HydrophobicContact CE3-CD1 4.09Å; W30-L50 HydrophobicContact CG-CD1 4.22Å; W30-L50 HydrophobicContact CH2-CD1 4.32Å; W30-L50 HydrophobicContact CZ2-CD1 4.11Å; W30-L50 HydrophobicContact CZ2-CD2 4.27Å; W30-L50 HydrophobicContact CZ3-CD1 4.34Å; W30-M84 HydrophobicContact CH2-CE 3.38Å; W30-M84 HydrophobicContact CH2-CG 4.19Å; W30-M84 HydrophobicContact CZ2-CE 3.68Å; W30-M84 HydrophobicContact CZ2-CG 4.22Å; W30-P135 HydrophobicContact CH2-CB 4.49Å; W30-T136 HydrophobicContact CH2-CG2 3.99Å; W30-T136 HydrophobicContact CZ3-CG2 4.2Å; W30-Y139 HydrophobicContact CB-CD1 4.46Å; W30-Y139 HydrophobicContact CB-CE1 4.27Å; W30-Y139 AromaticContact CE3-CD1 3.8Å; W30-Y139 HydrophobicContact CE3-CD1 3.8Å; W30-Y139 AromaticContact CE3-CD2 3.92Å; W30-Y139 HydrophobicContact CE3-CD2 3.92Å; W30-Y139 HydrophobicContact CE3-CE1 4.09Å; W30-Y139 HydrophobicContact CE3-CE2 4.21Å; W30-Y139 AromaticContact CE3-CG 3.69Å; W30-Y139 HydrophobicContact CE3-CG 3.69Å; W30-Y139 AromaticContact CZ3-CD2 3.84Å; W30-Y139 HydrophobicContact CZ3-CD2 3.84Å; W30-Y139 HydrophobicContact CZ3-CE2 4.28Å; W30-Y139 AromaticContact CZ3-CG 3.96Å; W30-Y139 HydrophobicContact CZ3-CG 3.96Å; W30-G161 PolarHBondContact O-N 2.71Å; W30-G161 VanDerWaalsContact O-N 3.13Å; W30-A163 HydrophobicContact CD2-CB 4.43Å; W30-A163 HydrophobicContact CG-CB 4.05Å; W30-V164 HydrophobicContact CD2-CG2 4.44Å; W30-V164 HydrophobicContact CE3-CG2 3.94Å; W30-V164 VanDerWaalsContact O-CG2 3.29Å; W30-V164 WeakPolarHBondContact O-CG2 3.49Å
31K81.7Confident73.7Confident22 Ų2254.5 Ų54.510%0.09631%0.311CS..EExtended strand (participates in β ladder)trans-136.1135.8177.3-161.1176.886.6170.30109.3N33 Q48 I143 Q158K31-N33 VanDerWaalsContact CE-OD1 3.28Å; K31-N33 WeakPolarHBondContact CE-OD1 3.47Å; K31-Q48 HydrophobicContact CB-CB 4.09Å; K31-Q48 PolarHBondContact N-O 2.93Å; K31-Q48 PolarHBondContact O-N 3.27Å; K31-I143 HydrophobicContact CD-CG1 4.39Å; K31-I143 HydrophobicContact CG-CD1 4.48Å; K31-I143 HydrophobicContact CG-CG1 4.21Å; K31-Q158 HydrophobicContact CD-CB 4.12Å; K31-Q158 VanDerWaalsContact CE-OE1 3.26Å; K31-Q158 HydrophobicContact CG-CB 4.15Å
32V80.1Confident71.8Confident14 Ų1457.2 Ų57.29%0.08533%0.328CS..EExtended strand (participates in β ladder)trans-115.9123.9178.1176.80000108.5N29 M47 Q158 E159N29-V32 WeakPolarHBondContact OD1-CG2 3.22Å; V32-M47 HydrophobicContact CB-CE 4.1Å; V32-M47 HydrophobicContact CG1-CE 3.45Å; V32-M47 VanDerWaalsContact CG1-CE 3.45Å; V32-M47 HydrophobicContact CG2-CE 3.52Å; V32-M47 HydrophobicContact CG2-SD 3.66Å; V32-Q158 CarbonylContact O-C 3.35Å; V32-Q158 WeakPolarHBondContact O-CA 3.47Å; V32-E159 HydrophobicContact CB-CB 4.22Å; V32-E159 PolarHBondContact N-O 3.25Å; V32-E159 PolarHBondContact O-N 2.97Å
33N70.7Confident70Confident23 Ų2356.2 Ų56.212%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-113.2118.6170.7-9058.8000107.8K31 Q46 Q158K31-N33 VanDerWaalsContact CE-OD1 3.28Å; K31-N33 WeakPolarHBondContact CE-OD1 3.47Å; N33-Q46 HydrophobicContact CB-CB 4.42Å; N33-Q46 PolarHBondContact N-O 3.09Å; N33-Q46 PolarHBondContact O-N 3.02Å; N33-Q158 WeakPolarHBondContact OD1-CB 3.48Å; N33-Q158 WeakPolarHBondContact OD1-CG 3.39Å
34A59.9Low68.9Low32 Ų3256.1 Ų56.126%0.26433%0.328SS..EExtended strand (participates in β ladder)trans-96.797.9168.800000107.5V36 T45A34-V36 HydrophobicContact CB-CG2 4.47Å; A34-V36 PolarHBondContact O-N 3.03Å; A34-T45 HydrophobicContact CB-CG2 4.31Å
35D59.3Low68Low33 Ų3358.7 Ų58.718%0.17634%0.344CS..EExtended strand (participates in β ladder)trans-81.4102.1175.1-148.7-63.3000109.3G37 I40 I44 S155D35-G37 PolarHBondContact OD1-N 3.49Å; D35-I40 WeakPolarHBondContact OD1-CD1 3.48Å; D35-I44 PolarHBondContact N-O 2.74Å; D35-I44 PolarHBondContact O-N 3.01Å; D35-S155 WeakPolarHBondContact CA-O 3.48Å
36V52Low67.3Low101 Ų10162 Ų6261%0.61236%0.359SS*.  trans-12054.2176.5-102.90000108.7A34 A43 S155A34-V36 HydrophobicContact CB-CG2 4.47Å; A34-V36 PolarHBondContact O-N 3.03Å; V36-A43 HydrophobicContact CG1-CB 4.25Å; V36-S155 PolarHBondContact N-O 2.8Å; V36-S155 WeakPolarHBondContact O-CB 3.22Å
37G47Very low67Low15 Ų1558.9 Ų58.916%0.15534%0.342CS..  trans-80.3136174.400000112.4D35 N39 I40D35-G37 PolarHBondContact OD1-N 3.49Å; G37-N39 PolarHBondContact O-N 3.01Å; G37-I40 PolarHBondContact O-N 3.45Å; G37-I40 VanDerWaalsContact O-N 3.1Å
38S46Very low66.7Low123 Ų12359.4 Ų59.486%0.8634%0.342SS*.THydrogen-bonded Turntrans-62.2-1.7175510000115.3
39N48.8Very low66.8Low152 Ų15257.9 Ų57.981%0.81333%0.333SS*.THydrogen-bonded Turntrans-113.84.5178.2-70.2-58.6000113.5G37G37-N39 PolarHBondContact O-N 3.01Å
40I50Low66.6Low85 Ų8555.7 Ų55.744%0.43632%0.321SS..  trans-113.7122.4-179.6-46.6-171.3000109.1D35 G37 T42D35-I40 WeakPolarHBondContact OD1-CD1 3.48Å; G37-I40 PolarHBondContact O-N 3.45Å; G37-I40 VanDerWaalsContact O-N 3.1Å; I40-T42 PolarHBondContact O-N 3.42Å
41I54Low66.6Low175 Ų17560.4 Ų60.490%0.89734%0.339SS*.SBendtrans-66.4-6-171.8-71156.6000113
42T55.7Low66.7Low59 Ų5962.3 Ų62.336%0.36235%0.349SS..SBendtrans-142.1128.8178.946.40000111I40 I44I40-T42 PolarHBondContact O-N 3.42Å; T42-I44 PolarHBondContact O-N 3.41Å
43A57.6Low66.9Low52 Ų5263 Ų6343%0.4335%0.352SS..  trans-67.5122.3165.800000108.8V36 S58V36-A43 HydrophobicContact CG1-CB 4.25Å; A43-S58 PolarHBondContact O-N 2.93Å
44I69.8Low67.6Low32 Ų3262 Ų6216%0.16435%0.347CS..EExtended strand (participates in β ladder)trans-128.5125.3-178.3-56.9167000108.4D35 T42 Q46 Y57D35-I44 PolarHBondContact N-O 2.74Å; D35-I44 PolarHBondContact O-N 3.01Å; T42-I44 PolarHBondContact O-N 3.41Å; I44-Q46 HydrophobicContact CG2-CG 3.89Å; I44-Y57 HydrophobicContact CD1-CD1 3.97Å; I44-Y57 HydrophobicContact CD1-CE1 3.69Å; I44-Y57 HydrophobicContact CG1-CD1 3.79Å; I44-Y57 HydrophobicContact CG1-CE1 4.01Å; I44-Y57 HydrophobicContact CG2-CD1 4.4Å; I44-Y57 HydrophobicContact CG2-CE1 4.34Å
45T72.8Confident68.7Low53 Ų5361.4 Ų61.433%0.32534%0.34SS..EExtended strand (participates in β ladder)trans-98.5117.5169.150.20000109.1A34 W56A34-T45 HydrophobicContact CB-CG2 4.31Å; T45-W56 PolarHBondContact N-O 2.9Å; T45-W56 VanDerWaalsContact N-O 3.13Å; T45-W56 PolarHBondContact O-N 3.47Å; T45-W56 WeakPolarHBondContact OG1-CB 3.46Å; T45-W56 PolarHBondContact OG1-O 3.48Å
46Q77.6Confident69.7Low81 Ų8166.2 Ų66.238%0.37936%0.356SS..EExtended strand (participates in β ladder)trans-103120.8179.7-56.4-169.8-93.100109.9N33 I44 T55N33-Q46 HydrophobicContact CB-CB 4.42Å; N33-Q46 PolarHBondContact N-O 3.09Å; N33-Q46 PolarHBondContact O-N 3.02Å; I44-Q46 HydrophobicContact CG2-CG 3.89Å; Q46-T55 HydrophobicContact CB-CG2 4.27Å; Q46-T55 HydrophobicContact CG-CG2 3.8Å
47M81.5Confident71.1Confident48 Ų4865.2 Ų65.224%0.23634%0.342CS..EExtended strand (participates in β ladder)trans-99.3107.5174.5-59.6-91.6138.500107.5P28 N29 V32 D53 C54P28-M47 CarbonylContact O-C 3.49Å; N29-M47 HydrophobicContact CB-SD 4.39Å; V32-M47 HydrophobicContact CB-CE 4.1Å; V32-M47 HydrophobicContact CG1-CE 3.45Å; V32-M47 VanDerWaalsContact CG1-CE 3.45Å; V32-M47 HydrophobicContact CG2-CE 3.52Å; V32-M47 HydrophobicContact CG2-SD 3.66Å; M47-D53 WeakPolarHBondContact O-CA 3.3Å; M47-C54 WeakPolarHBondContact CA-O 3.36Å; M47-C54 HydrophobicContact CB-CB 4.28Å; M47-C54 PolarHBondContact N-O 3.28Å; M47-C54 PolarHBondContact O-N 2.89Å
48Q82.3Confident72.4Confident66 Ų6669.1 Ų69.131%0.30837%0.367SS..EExtended strand (participates in β ladder)trans-92120177.2-109169.712.900110.3P28 W30 K31 D53P28-Q48 CarbonylContact O-C 3.07Å; P28-Q48 VanDerWaalsContact O-O 3.12Å; W30-Q48 WeakPolarHBondContact CB-O 3.13Å; W30-Q48 PolarHBondContact N-O 3.47Å; W30-Q48 VanDerWaalsContact N-O 3.1Å; K31-Q48 HydrophobicContact CB-CB 4.09Å; K31-Q48 PolarHBondContact N-O 2.93Å; K31-Q48 PolarHBondContact O-N 3.27Å; Q48-D53 WeakPolarHBondContact CA-OD1 3.47Å; Q48-D53 VanDerWaalsContact CG-CG 3.5Å; Q48-D53 VanDerWaalsContact CG-OD1 3.27Å; Q48-D53 WeakPolarHBondContact CG-OD1 3.49Å
49G84.9Confident73.8Confident2 Ų268.1 Ų68.12%0.02136%0.356CS..  trans-107.3172.1-179.900000113.1P28 M52 D53 K67P28-G49 VanDerWaalsContact O-CA 3.29Å; P28-G49 WeakPolarHBondContact O-CA 3.03Å; P28-G49 PolarHBondContact O-N 3.37Å; P28-G49 VanDerWaalsContact O-N 3.13Å; G49-M52 WeakPolarHBondContact CA-O 3.38Å; G49-M52 PolarHBondContact N-O 3.49Å; G49-M52 VanDerWaalsContact N-O 3.11Å; G49-D53 PolarHBondContact N-OD1 2.96Å; G49-D53 VanDerWaalsContact N-OD1 3.1Å; G49-K67 PolarHBondContact O-NZ 2.75Å
50L81.9Confident75.2Confident0 Ų063.6 Ų63.60%035%0.345CS..SBendtrans-66.7-46.4172.1-128.370.6000110.5W30 A80 R81 M84 Y139W30-L50 HydrophobicContact CD2-CD1 3.82Å; W30-L50 HydrophobicContact CE3-CD1 4.09Å; W30-L50 HydrophobicContact CG-CD1 4.22Å; W30-L50 HydrophobicContact CH2-CD1 4.32Å; W30-L50 HydrophobicContact CZ2-CD1 4.11Å; W30-L50 HydrophobicContact CZ2-CD2 4.27Å; W30-L50 HydrophobicContact CZ3-CD1 4.34Å; L50-A80 HydrophobicContact CD1-CB 4.11Å; L50-R81 HydrophobicContact CB-CG 4.49Å; L50-R81 HydrophobicContact CD2-CB 4.41Å; L50-R81 HydrophobicContact CD2-CG 3.94Å; L50-R81 HydrophobicContact CG-CG 3.79Å; L50-R81 PolarHBondContact O-NE 2.74Å; L50-R81 PolarHBondContact O-NH2 3.27Å; L50-M84 HydrophobicContact CD2-CB 4.24Å; L50-M84 HydrophobicContact CD2-CG 4.14Å; L50-Y139 HydrophobicContact CD1-CE2 4.13Å; L50-Y139 WeakPolarHBondContact CD1-OH 3.45Å
51W84.4Confident76.6Confident100 Ų10065.7 Ų65.738%0.37936%0.355SS..SBendtrans-105.7-30.5-173.6-59.888.4000114.7T25 K67 V85T25-W51 PolarHBondContact O-NE1 2.92Å; T25-W51 VanDerWaalsContact O-NE1 3.08Å; W51-K67 PolarHBondContact O-N 3.26Å; W51-V85 HydrophobicContact CH2-CG2 4.14Å; W51-V85 HydrophobicContact CZ2-CG2 3.74Å
52M84.3Confident78Confident63 Ų6362.9 Ų62.931%0.3134%0.336SS..EExtended strand (participates in β ladder)trans-138.6141.7-173.528.8172.678.500108.6P28 G49 T65 L66P28-M52 HydrophobicContact CB-CG 4.07Å; P28-M52 HydrophobicContact CB-SD 4.39Å; P28-M52 HydrophobicContact CG-SD 4.46Å; G49-M52 WeakPolarHBondContact CA-O 3.38Å; G49-M52 PolarHBondContact N-O 3.49Å; G49-M52 VanDerWaalsContact N-O 3.11Å; M52-T65 WeakPolarHBondContact CA-O 3.34Å; M52-L66 HydrophobicContact CB-CD2 4.01Å; M52-L66 HydrophobicContact CE-CD2 3.82Å; M52-L66 HydrophobicContact CG-CD2 4.49Å
53D84.3Confident79.4Confident28 Ų2862.8 Ų62.815%0.1534%0.337CS..EExtended strand (participates in β ladder)trans-105.8133.9168.4-71.4-11.9000108.2M47 Q48 G49 C64 T65 K67M47-D53 WeakPolarHBondContact O-CA 3.3Å; Q48-D53 WeakPolarHBondContact CA-OD1 3.47Å; Q48-D53 VanDerWaalsContact CG-CG 3.5Å; Q48-D53 VanDerWaalsContact CG-OD1 3.27Å; Q48-D53 WeakPolarHBondContact CG-OD1 3.49Å; G49-D53 PolarHBondContact N-OD1 2.96Å; G49-D53 VanDerWaalsContact N-OD1 3.1Å; D53-C64 CarbonylContact O-C 3.56Å; D53-C64 WeakPolarHBondContact O-CA 3.49Å; D53-T65 PolarHBondContact N-O 3.01Å; D53-T65 PolarHBondContact O-N 3.48Å; D53-T65 PolarHBondContact O-OG1 3.41Å; D53-K67 WeakPolarHBondContact OD1-CE 3.46Å; D53-K67 IonicContact OD1-NZ 2.84Å; D53-K67 PolarHBondContact OD1-NZ 2.99Å; D53-K67 WeakPolarHBondContact OD2-CE 3.42Å; D53-K67 IonicContact OD2-NZ 2.72Å; D53-K67 PolarHBondContact OD2-NZ 3.06Å
54C85Confident80.8Confident2 Ų263.2 Ų63.21%0.01434%0.337CS..EExtended strand (participates in β ladder)trans-118137.3177.8-63.10000109.8M47 F62 S63 C64M47-C54 WeakPolarHBondContact CA-O 3.36Å; M47-C54 HydrophobicContact CB-CB 4.28Å; M47-C54 PolarHBondContact N-O 3.28Å; M47-C54 PolarHBondContact O-N 2.89Å; C54-F62 HydrophobicContact CB-CE2 3.86Å; C54-F62 HydrophobicContact CB-CZ 3.77Å; C54-S63 CarbonylContact C-O 3.54Å; C54-S63 WeakPolarHBondContact CA-O 3.33Å; C54-C64 HydrophobicContact CB-CB 4.17Å; C54-C64 WeakPolarHBondContact CB-SG 3.33Å; C54-C64 WeakPolarHBondContact SG-CB 3.5Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 2.94Å
55T83.3Confident81.5Confident19 Ų1965.3 Ų65.312%0.11735%0.351CS..EExtended strand (participates in β ladder)trans-119.1132.817559.60000109.5Q46 Y57 S63Q46-T55 HydrophobicContact CB-CG2 4.27Å; Q46-T55 HydrophobicContact CG-CG2 3.8Å; T55-Y57 VanDerWaalsContact OG1-CE2 3.26Å; T55-Y57 WeakPolarHBondContact OG1-CE2 2.83Å; T55-S63 PolarHBondContact N-O 3.13Å; T55-S63 PolarHBondContact O-N 3.01Å
56W80.9Confident81.9Confident134 Ų13467.1 Ų67.151%0.50836%0.358SS..EExtended strand (participates in β ladder)trans-110.3116.6175.9-176.8-74.1000108.5T45 F62T45-W56 PolarHBondContact N-O 2.9Å; T45-W56 VanDerWaalsContact N-O 3.13Å; T45-W56 PolarHBondContact O-N 3.47Å; T45-W56 WeakPolarHBondContact OG1-CB 3.46Å; T45-W56 PolarHBondContact OG1-O 3.48Å; W56-F62 HydrophobicContact CB-CD2 4.27Å; W56-F62 HydrophobicContact CD2-CD2 4.2Å; W56-F62 HydrophobicContact CE3-CB 4.03Å; W56-F62 AromaticContact CE3-CD2 3.27Å; W56-F62 HydrophobicContact CE3-CD2 3.27Å; W56-F62 AromaticContact CE3-CE2 3.91Å; W56-F62 HydrophobicContact CE3-CE2 3.91Å; W56-F62 AromaticContact CE3-CG 3.91Å; W56-F62 HydrophobicContact CE3-CG 3.91Å; W56-F62 HydrophobicContact CZ3-CB 4.02Å; W56-F62 AromaticContact CZ3-CD2 3.87Å; W56-F62 HydrophobicContact CZ3-CD2 3.87Å; W56-F62 HydrophobicContact CZ3-CG 4.07Å
57Y80.6Confident81.8Confident80 Ų8065.4 Ų65.431%0.31435%0.35SS..EExtended strand (participates in β ladder)trans-93.8140.6179.8-63.3-88.8000109.9I44 T55 T59 G60 M61I44-Y57 HydrophobicContact CD1-CD1 3.97Å; I44-Y57 HydrophobicContact CD1-CE1 3.69Å; I44-Y57 HydrophobicContact CG1-CD1 3.79Å; I44-Y57 HydrophobicContact CG1-CE1 4.01Å; I44-Y57 HydrophobicContact CG2-CD1 4.4Å; I44-Y57 HydrophobicContact CG2-CE1 4.34Å; T55-Y57 VanDerWaalsContact OG1-CE2 3.26Å; T55-Y57 WeakPolarHBondContact OG1-CE2 2.83Å; Y57-T59 WeakPolarHBondContact CB-OG1 3.27Å; Y57-T59 PolarHBondContact O-N 3.44Å; Y57-G60 PolarHBondContact O-N 3.02Å; Y57-M61 HydrophobicContact CD2-CB 4.2Å; Y57-M61 PolarHBondContact N-O 3.25Å
58S74.4Confident81Confident98 Ų9871.6 Ų71.669%0.68537%0.372SS*.THydrogen-bonded Turntrans-59.8-13.9175.1-170.10000114.1A43 G60A43-S58 PolarHBondContact O-N 2.93Å; S58-G60 PolarHBondContact O-N 3.29Å
59T76Confident79.9Confident101 Ų10172.1 Ų72.162%0.6238%0.382SS*.THydrogen-bonded Turntrans-74.70.8172.953.30000113.7Y57 M61Y57-T59 WeakPolarHBondContact CB-OG1 3.27Å; Y57-T59 PolarHBondContact O-N 3.44Å; T59-M61 VanDerWaalsContact C-N 3.34Å
60G77.2Confident78.7Confident57 Ų5775.9 Ų75.959%0.58841%0.405SS*.SBendtrans84.55.9-178.300000114.1Y57 S58Y57-G60 PolarHBondContact O-N 3.02Å; S58-G60 PolarHBondContact O-N 3.29Å
61M79.4Confident77.4Confident130 Ų13084.5 Ų84.564%0.6445%0.45SS*.  trans-86.3131.9176.1-59.3-178110.100110.5Y57 T59Y57-M61 HydrophobicContact CD2-CB 4.2Å; Y57-M61 PolarHBondContact N-O 3.25Å; T59-M61 VanDerWaalsContact C-N 3.34Å
62F84.4Confident76Confident116 Ų11684.8 Ų84.851%0.50947%0.467SS..EExtended strand (participates in β ladder)trans-115.7121.5172.6-175.9-114.4000109.6C54 W56 C64C54-F62 HydrophobicContact CB-CE2 3.86Å; C54-F62 HydrophobicContact CB-CZ 3.77Å; W56-F62 HydrophobicContact CB-CD2 4.27Å; W56-F62 HydrophobicContact CD2-CD2 4.2Å; W56-F62 HydrophobicContact CE3-CB 4.03Å; W56-F62 AromaticContact CE3-CD2 3.27Å; W56-F62 HydrophobicContact CE3-CD2 3.27Å; W56-F62 AromaticContact CE3-CE2 3.91Å; W56-F62 HydrophobicContact CE3-CE2 3.91Å; W56-F62 AromaticContact CE3-CG 3.91Å; W56-F62 HydrophobicContact CE3-CG 3.91Å; W56-F62 HydrophobicContact CZ3-CB 4.02Å; W56-F62 AromaticContact CZ3-CD2 3.87Å; W56-F62 HydrophobicContact CZ3-CD2 3.87Å; W56-F62 HydrophobicContact CZ3-CG 4.07Å; F62-C64 WeakPolarHBondContact CE1-SG 3.39Å; F62-C64 WeakPolarHBondContact CZ-SG 3.13Å
63S84.8Confident75.1Confident56 Ų5683.1 Ų83.139%0.39246%0.459SS..EExtended strand (participates in β ladder)trans-127.7127.9-178.3-167.10000110C54 T55C54-S63 CarbonylContact C-O 3.54Å; C54-S63 WeakPolarHBondContact CA-O 3.33Å; T55-S63 PolarHBondContact N-O 3.13Å; T55-S63 PolarHBondContact O-N 3.01Å
64C87.4Confident74.6Confident61 Ų6184.5 Ų84.541%0.41247%0.47SS..EExtended strand (participates in β ladder)trans-117.8126.5174-67.20000110D53 C54 F62D53-C64 CarbonylContact O-C 3.56Å; D53-C64 WeakPolarHBondContact O-CA 3.49Å; C54-C64 HydrophobicContact CB-CB 4.17Å; C54-C64 WeakPolarHBondContact CB-SG 3.33Å; C54-C64 WeakPolarHBondContact SG-CB 3.5Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 2.94Å; F62-C64 WeakPolarHBondContact CE1-SG 3.39Å; F62-C64 WeakPolarHBondContact CZ-SG 3.13Å
65T83.6Confident74.2Confident77 Ų7790.1 Ų90.147%0.47250%0.504SS..EExtended strand (participates in β ladder)trans-113.1126.5177.553.80000109.9M52 D53M52-T65 WeakPolarHBondContact CA-O 3.34Å; D53-T65 PolarHBondContact N-O 3.01Å; D53-T65 PolarHBondContact O-N 3.48Å; D53-T65 PolarHBondContact O-OG1 3.41Å
66L81.4Confident73.9Confident90 Ų9093 Ų9347%0.47151%0.514SS..EExtended strand (participates in β ladder)trans-75.2144.2175.7-81.4164.1000110.3M52 Y68M52-L66 HydrophobicContact CB-CD2 4.01Å; M52-L66 HydrophobicContact CE-CD2 3.82Å; M52-L66 HydrophobicContact CG-CD2 4.49Å; L66-Y68 HydrophobicContact CB-CD1 3.91Å; L66-Y68 HydrophobicContact CB-CE1 3.4Å; L66-Y68 HydrophobicContact CD1-CE1 4.49Å; L66-Y68 VanDerWaalsContact O-CD2 3.29Å; L66-Y68 WeakPolarHBondContact O-CD2 3.33Å; L66-Y68 WeakPolarHBondContact O-CE1 3.49Å; L66-Y68 WeakPolarHBondContact O-CE2 3.39Å; L66-Y68 PolarHBondContact O-N 3.45Å
67K75.7Confident74Confident45 Ų4586.9 Ų86.920%0.19649%0.49CS..  trans-89.585.8177.8-75176.7164.5159.80110.9G49 W51 D53 L73G49-K67 PolarHBondContact O-NZ 2.75Å; W51-K67 PolarHBondContact O-N 3.26Å; D53-K67 WeakPolarHBondContact OD1-CE 3.46Å; D53-K67 IonicContact OD1-NZ 2.84Å; D53-K67 PolarHBondContact OD1-NZ 2.99Å; D53-K67 WeakPolarHBondContact OD2-CE 3.42Å; D53-K67 IonicContact OD2-NZ 2.72Å; D53-K67 PolarHBondContact OD2-NZ 3.06Å; K67-L73 HydrophobicContact CD-CD1 3.61Å; K67-L73 HydrophobicContact CD-CD2 4.16Å; K67-L73 HydrophobicContact CG-CD1 4.24Å
68Y64Low74.2Confident178 Ų17887 Ų8770%0.69849%0.494SS*.  trans-73.7-34.6-176.7-26.4-82.8000113.4L66 V70L66-Y68 HydrophobicContact CB-CD1 3.91Å; L66-Y68 HydrophobicContact CB-CE1 3.4Å; L66-Y68 HydrophobicContact CD1-CE1 4.49Å; L66-Y68 VanDerWaalsContact O-CD2 3.29Å; L66-Y68 WeakPolarHBondContact O-CD2 3.33Å; L66-Y68 WeakPolarHBondContact O-CE1 3.49Å; L66-Y68 WeakPolarHBondContact O-CE2 3.39Å; L66-Y68 PolarHBondContact O-N 3.45Å; Y68-V70 PolarHBondContact O-N 2.91Å
69S61.1Low74.7Confident77 Ų7784.7 Ų84.754%0.53848%0.481SS..  trans-89.397-172.1-62.20000112L71 S72S69-L71 PolarHBondContact O-N 3.47Å; S69-S72 PolarHBondContact O-N 3.37Å
70V58Low75.3Confident82 Ų8280.1 Ų80.150%0.49745%0.453SS..G310 helixtrans-60.5-29.2171-91.80000113.1Y68Y68-V70 PolarHBondContact O-N 2.91Å
71L55.3Low75.9Confident181 Ų18178.4 Ų78.495%0.94843%0.429SS*.G310 helixtrans-79.2-17.9-176.4-14976.5000114.3S69S69-L71 PolarHBondContact O-N 3.47Å
72S54.1Low76.4Confident105 Ų10576.2 Ų76.273%0.73442%0.423SS*.G310 helixtrans-102.4-0.3-179-159.10000112.4S69S69-S72 PolarHBondContact O-N 3.37Å
73L65.9Low76.8Confident28 Ų2872 Ų7215%0.14741%0.407CS..SBendtrans-96135.9-172.9-15069.9000110.5K67 V75 V77 R81K67-L73 HydrophobicContact CD-CD1 3.61Å; K67-L73 HydrophobicContact CD-CD2 4.16Å; K67-L73 HydrophobicContact CG-CD1 4.24Å; L73-V75 PolarHBondContact O-N 2.88Å; L73-V77 HydrophobicContact CD2-CB 3.98Å; L73-V77 HydrophobicContact CD2-CG1 3.55Å; L73-V77 HydrophobicContact CG-CB 4.18Å; L73-V77 HydrophobicContact CG-CG1 4.19Å; L73-R81 VanDerWaalsContact CD2-CZ 3.42Å; L73-R81 VanDerWaalsContact CD2-NH2 3.28Å
74P73.9Confident77.2Confident58 Ų5869.3 Ų69.338%0.37739%0.388SS..  trans-61.5140.4-178.822.1-33.1000111.8Y76 V77 Q78P74-Y76 HydrophobicContact CB-CD1 3.7Å; P74-Y76 HydrophobicContact CB-CE1 3.34Å; P74-Y76 HydrophobicContact CG-CD1 4.22Å; P74-Y76 HydrophobicContact CG-CE1 3.51Å; P74-Y76 PolarHBondContact O-N 3.43Å; P74-V77 HydrophobicContact CG-CG2 3.82Å; P74-V77 WeakPolarHBondContact O-CB 3.5Å; P74-V77 PolarHBondContact O-N 3.34Å; P74-Q78 PolarHBondContact O-N 3.23Å
75V77.7Confident77.5Confident119 Ų11969 Ų6972%0.72138%0.384SS*.Hα-helixtrans-52.9-35.9-169.6177.70000113L73 V77 Q78 A79L73-V75 PolarHBondContact O-N 2.88Å; V75-V77 VanDerWaalsContact C-N 3.33Å; V75-V77 PolarHBondContact O-N 2.93Å; V75-Q78 PolarHBondContact O-N 3.42Å; V75-A79 WeakPolarHBondContact O-CB 3.41Å; V75-A79 PolarHBondContact O-N 2.94Å
76Y76.7Confident78.1Confident81 Ų8169 Ų6932%0.31838%0.381SS..Hα-helixtrans-64.9-33.2179.571.7-93.2000113.1P74 A80 Y139P74-Y76 HydrophobicContact CB-CD1 3.7Å; P74-Y76 HydrophobicContact CB-CE1 3.34Å; P74-Y76 HydrophobicContact CG-CD1 4.22Å; P74-Y76 HydrophobicContact CG-CE1 3.51Å; P74-Y76 PolarHBondContact O-N 3.43Å; Y76-A80 WeakPolarHBondContact O-CB 3.24Å; Y76-A80 PolarHBondContact O-N 3.07Å; Y76-Y139 HydrophobicContact CD2-CE2 4.32Å
77V82Confident78.8Confident4 Ų464.7 Ų64.72%0.02436%0.358CS..Hα-helixtrans-72.7-40.1177.3-176.80000110L73 P74 V75 A80 R81 Y139L73-V77 HydrophobicContact CD2-CB 3.98Å; L73-V77 HydrophobicContact CD2-CG1 3.55Å; L73-V77 HydrophobicContact CG-CB 4.18Å; L73-V77 HydrophobicContact CG-CG1 4.19Å; P74-V77 HydrophobicContact CG-CG2 3.82Å; P74-V77 WeakPolarHBondContact O-CB 3.5Å; P74-V77 PolarHBondContact O-N 3.34Å; V75-V77 VanDerWaalsContact C-N 3.33Å; V75-V77 PolarHBondContact O-N 2.93Å; V77-A80 PolarHBondContact O-N 3.25Å; V77-R81 WeakPolarHBondContact O-CG 3.21Å; V77-R81 PolarHBondContact O-N 2.69Å; V77-Y139 WeakPolarHBondContact CG2-OH 3.39Å
78Q85.1Confident79.7Confident83 Ų8363.8 Ų63.839%0.38836%0.357SS..Hα-helixtrans-66.2-43.3177.8-172.8168.36.400111.5P74 V75 A80 R81 T82P74-Q78 PolarHBondContact O-N 3.23Å; V75-Q78 PolarHBondContact O-N 3.42Å; Q78-A80 VanDerWaalsContact C-N 3.31Å; Q78-A80 PolarHBondContact O-N 3.38Å; Q78-R81 PolarHBondContact O-N 3.04Å; Q78-T82 PolarHBondContact O-N 3.33Å; Q78-T82 VanDerWaalsContact O-N 3.13Å; Q78-T82 PolarHBondContact O-OG1 3.43Å
79A85.5Confident81.3Confident50 Ų5059.2 Ų59.241%0.41334%0.344SS..Hα-helixtrans-59.8-42.2173.100000111.6V75 R81 T82 T83V75-A79 WeakPolarHBondContact O-CB 3.41Å; V75-A79 PolarHBondContact O-N 2.94Å; A79-R81 PolarHBondContact O-N 2.88Å; A79-T82 PolarHBondContact O-N 3.42Å; A79-T82 PolarHBondContact O-OG1 2.9Å; A79-T83 WeakPolarHBondContact O-CG2 3.45Å; A79-T83 PolarHBondContact O-N 3.01Å; A79-T83 PolarHBondContact O-OG1 3.4Å; A79-T83 VanDerWaalsContact O-OG1 3.08Å
80A87.6Confident82.9Confident4 Ų457.2 Ų57.23%0.03333%0.327CS..Hα-helixtrans-65.1-37.8178.200000113.4L50 Y76 V77 Q78 T83 M84 P135 Y139L50-A80 HydrophobicContact CD1-CB 4.11Å; Y76-A80 WeakPolarHBondContact O-CB 3.24Å; Y76-A80 PolarHBondContact O-N 3.07Å; V77-A80 PolarHBondContact O-N 3.25Å; Q78-A80 VanDerWaalsContact C-N 3.31Å; Q78-A80 PolarHBondContact O-N 3.38Å; A80-T83 WeakPolarHBondContact CA-OG1 3.47Å; A80-T83 PolarHBondContact O-OG1 2.97Å; A80-T83 VanDerWaalsContact O-OG1 3.08Å; A80-M84 VanDerWaalsContact O-CB 3.31Å; A80-M84 WeakPolarHBondContact O-CB 3.49Å; A80-M84 WeakPolarHBondContact O-CG 3.5Å; A80-M84 PolarHBondContact O-N 3.21Å; A80-P135 HydrophobicContact CB-CB 3.67Å; A80-Y139 HydrophobicContact CB-CD2 4.3Å; A80-Y139 HydrophobicContact CB-CE2 3.56Å
81R89.9Confident84.8Confident21 Ų2153.3 Ų53.38%0.07930%0.304CS..Hα-helixtrans-60.5-47.5173.4-71.7175.5-176.6-170.8-2.7111.4L50 L73 V77 Q78 A79 M84 V85L50-R81 HydrophobicContact CB-CG 4.49Å; L50-R81 HydrophobicContact CD2-CB 4.41Å; L50-R81 HydrophobicContact CD2-CG 3.94Å; L50-R81 HydrophobicContact CG-CG 3.79Å; L50-R81 PolarHBondContact O-NE 2.74Å; L50-R81 PolarHBondContact O-NH2 3.27Å; L73-R81 VanDerWaalsContact CD2-CZ 3.42Å; L73-R81 VanDerWaalsContact CD2-NH2 3.28Å; V77-R81 WeakPolarHBondContact O-CG 3.21Å; V77-R81 PolarHBondContact O-N 2.69Å; Q78-R81 PolarHBondContact O-N 3.04Å; A79-R81 PolarHBondContact O-N 2.88Å; R81-M84 PolarHBondContact O-N 2.96Å; R81-V85 WeakPolarHBondContact O-CB 3.27Å; R81-V85 VanDerWaalsContact O-CG2 3.24Å; R81-V85 WeakPolarHBondContact O-CG2 3.35Å; R81-V85 PolarHBondContact O-N 3.46Å
82T90.7Very high86.7Confident84 Ų8447 Ų4752%0.51528%0.277SS..Hα-helixtrans-68.3-40.7-176.955.60000111.6Q78 A79 L86Q78-T82 PolarHBondContact O-N 3.33Å; Q78-T82 VanDerWaalsContact O-N 3.13Å; Q78-T82 PolarHBondContact O-OG1 3.43Å; A79-T82 PolarHBondContact O-N 3.42Å; A79-T82 PolarHBondContact O-OG1 2.9Å; T82-L86 VanDerWaalsContact O-CB 3.26Å; T82-L86 WeakPolarHBondContact O-CB 3.49Å; T82-L86 PolarHBondContact O-N 2.93Å
83T92.3Very high88.6Confident27 Ų2747.7 Ų47.717%0.16627%0.267CS..Hα-helixtrans-67-39.617755.50000112.2A79 A80 L86 S87 F131 P135A79-T83 WeakPolarHBondContact O-CG2 3.45Å; A79-T83 PolarHBondContact O-N 3.01Å; A79-T83 PolarHBondContact O-OG1 3.4Å; A79-T83 VanDerWaalsContact O-OG1 3.08Å; A80-T83 WeakPolarHBondContact CA-OG1 3.47Å; A80-T83 PolarHBondContact O-OG1 2.97Å; A80-T83 VanDerWaalsContact O-OG1 3.08Å; T83-L86 PolarHBondContact O-N 3.31Å; T83-S87 PolarHBondContact O-N 3.48Å; T83-F131 HydrophobicContact CG2-CD1 4.49Å; T83-P135 WeakPolarHBondContact OG1-CG 3.24Å
84M93.4Very high90Very high0 Ų046.4 Ų46.40%026%0.26CS..Hα-helixtrans-66.3-44.8175.9-82.6-59.6-170.700112.2T25 W30 L50 A80 R81 L86 S87 C88 P135 T136T25-M84 HydrophobicContact CG2-CB 4.32Å; W30-M84 HydrophobicContact CH2-CE 3.38Å; W30-M84 HydrophobicContact CH2-CG 4.19Å; W30-M84 HydrophobicContact CZ2-CE 3.68Å; W30-M84 HydrophobicContact CZ2-CG 4.22Å; L50-M84 HydrophobicContact CD2-CB 4.24Å; L50-M84 HydrophobicContact CD2-CG 4.14Å; A80-M84 VanDerWaalsContact O-CB 3.31Å; A80-M84 WeakPolarHBondContact O-CB 3.49Å; A80-M84 WeakPolarHBondContact O-CG 3.5Å; A80-M84 PolarHBondContact O-N 3.21Å; R81-M84 PolarHBondContact O-N 2.96Å; M84-L86 VanDerWaalsContact C-N 3.3Å; M84-L86 PolarHBondContact O-N 2.91Å; M84-S87 WeakPolarHBondContact O-CB 3.4Å; M84-S87 PolarHBondContact O-N 3.41Å; M84-C88 PolarHBondContact O-N 3.49Å; M84-P135 HydrophobicContact CE-CG 3.94Å; M84-P135 HydrophobicContact CG-CG 3.98Å; M84-P135 HydrophobicContact SD-CG 4.21Å; M84-T136 HydrophobicContact CE-CG2 3.67Å
85V94.5Very high91Very high54 Ų5445 Ų4533%0.32725%0.25SC..Hα-helixtrans-62-40.9175.41720000111W51 R81 S87 C88 I89W51-V85 HydrophobicContact CH2-CG2 4.14Å; W51-V85 HydrophobicContact CZ2-CG2 3.74Å; R81-V85 WeakPolarHBondContact O-CB 3.27Å; R81-V85 VanDerWaalsContact O-CG2 3.24Å; R81-V85 WeakPolarHBondContact O-CG2 3.35Å; R81-V85 PolarHBondContact O-N 3.46Å; V85-S87 VanDerWaalsContact C-N 3.35Å; V85-C88 PolarHBondContact O-N 2.98Å; V85-I89 HydrophobicContact CG1-CD1 3.86Å; V85-I89 HydrophobicContact CG1-CG1 4.49Å; V85-I89 VanDerWaalsContact O-CG1 3.31Å; V85-I89 WeakPolarHBondContact O-CG1 3.43Å; V85-I89 PolarHBondContact O-N 3.29Å
86L95Very high91.7Very high78 Ų7843.1 Ų43.141%0.40824%0.241SC..Hα-helixtrans-64.5-39.6176.6-172.463.2000111.8T82 T83 M84 I89 L90 F131T82-L86 VanDerWaalsContact O-CB 3.26Å; T82-L86 WeakPolarHBondContact O-CB 3.49Å; T82-L86 PolarHBondContact O-N 2.93Å; T83-L86 PolarHBondContact O-N 3.31Å; M84-L86 VanDerWaalsContact C-N 3.3Å; M84-L86 PolarHBondContact O-N 2.91Å; L86-I89 PolarHBondContact O-N 3.42Å; L86-L90 VanDerWaalsContact O-CB 3.28Å; L86-L90 WeakPolarHBondContact O-CB 3.2Å; L86-L90 PolarHBondContact O-N 2.98Å; L86-F131 HydrophobicContact CD2-CD1 3.97Å; L86-F131 HydrophobicContact CD2-CD2 4.36Å; L86-F131 HydrophobicContact CD2-CE1 3.68Å; L86-F131 HydrophobicContact CD2-CE2 4.11Å; L86-F131 HydrophobicContact CD2-CG 4.32Å; L86-F131 HydrophobicContact CD2-CZ 3.76Å
87S96Very high92.5Very high0 Ų041.7 Ų41.70%024%0.238CC..Hα-helixtrans-57.5-52.2172.1177.20000111.1D21 T83 M84 V85 I89 L90 S91 S128D21-S87 WeakPolarHBondContact OD2-CB 3.38Å; D21-S87 PolarHBondContact OD2-OG 3.41Å; T83-S87 PolarHBondContact O-N 3.48Å; M84-S87 WeakPolarHBondContact O-CB 3.4Å; M84-S87 PolarHBondContact O-N 3.41Å; V85-S87 VanDerWaalsContact C-N 3.35Å; S87-I89 PolarHBondContact O-N 3.26Å; S87-L90 PolarHBondContact O-N 3.02Å; S87-L90 VanDerWaalsContact O-N 3.16Å; S87-S91 WeakPolarHBondContact O-CB 3.37Å; S87-S91 PolarHBondContact O-N 3.34Å; S87-S91 PolarHBondContact O-OG 3.02Å; S87-S128 PolarHBondContact O-OG 3.41Å; S87-S128 PolarHBondContact OG-O 2.89Å; S87-S128 PolarHBondContact OG-OG 2.97Å
88C95.5Very high92.9Very high26 Ų2641.5 Ų41.518%0.17624%0.237CC..Hα-helixtrans-55.4-48.7178.1-740000111.8D21 M84 V85 L90 S91 A92D21-C88 PolarHBondContact OD2-N 3.21Å; M84-C88 PolarHBondContact O-N 3.49Å; V85-C88 PolarHBondContact O-N 2.98Å; C88-L90 VanDerWaalsContact C-N 3.34Å; C88-L90 PolarHBondContact O-N 2.92Å; C88-S91 PolarHBondContact O-N 3.29Å; C88-S91 PolarHBondContact O-OG 3.38Å; C88-A92 WeakPolarHBondContact O-CB 3.47Å; C88-A92 PolarHBondContact O-N 2.96Å
89I96.8Very high93.1Very high82 Ų8240.2 Ų40.242%0.42124%0.235SC..Hα-helixtrans-60.3-46179-68.5167.9000110.7V85 L86 S87 S91 A92 F93V85-I89 HydrophobicContact CG1-CD1 3.86Å; V85-I89 HydrophobicContact CG1-CG1 4.49Å; V85-I89 VanDerWaalsContact O-CG1 3.31Å; V85-I89 WeakPolarHBondContact O-CG1 3.43Å; V85-I89 PolarHBondContact O-N 3.29Å; L86-I89 PolarHBondContact O-N 3.42Å; S87-I89 PolarHBondContact O-N 3.26Å; I89-S91 PolarHBondContact O-N 3.22Å; I89-A92 WeakPolarHBondContact O-CB 3.26Å; I89-A92 PolarHBondContact O-N 2.93Å; I89-F93 HydrophobicContact CG2-CD2 3.68Å; I89-F93 HydrophobicContact CG2-CE2 3.5Å; I89-F93 WeakPolarHBondContact O-CD2 3.41Å; I89-F93 PolarHBondContact O-N 3.07Å
90L95.9Very high93.1Very high34 Ų3441 Ų4118%0.17823%0.234CC..Hα-helixtrans-69.6-34.3-176.8-16758.5000112.3L86 S87 C88 F93 G94 C124 L127 F131L86-L90 VanDerWaalsContact O-CB 3.28Å; L86-L90 WeakPolarHBondContact O-CB 3.2Å; L86-L90 PolarHBondContact O-N 2.98Å; S87-L90 PolarHBondContact O-N 3.02Å; S87-L90 VanDerWaalsContact O-N 3.16Å; C88-L90 VanDerWaalsContact C-N 3.34Å; C88-L90 PolarHBondContact O-N 2.92Å; L90-F93 PolarHBondContact O-N 3.14Å; L90-G94 PolarHBondContact O-N 2.93Å; L90-C124 HydrophobicContact CD1-CB 4.08Å; L90-C124 HydrophobicContact CG-CB 4.26Å; L90-C124 WeakPolarHBondContact CG-O 3.23Å; L90-L127 HydrophobicContact CD2-CB 3.37Å; L90-L127 HydrophobicContact CD2-CD1 4.37Å; L90-F131 HydrophobicContact CD2-CD2 4.24Å; L90-F131 HydrophobicContact CD2-CE2 4.44Å
91S96Very high92.9Very high1 Ų141 Ų411%0.00724%0.235CC..Hα-helixtrans-65.8-37.4171.378.70000112.4S87 C88 I89 G94 I95 F125 S128S87-S91 WeakPolarHBondContact O-CB 3.37Å; S87-S91 PolarHBondContact O-N 3.34Å; S87-S91 PolarHBondContact O-OG 3.02Å; C88-S91 PolarHBondContact O-N 3.29Å; C88-S91 PolarHBondContact O-OG 3.38Å; I89-S91 PolarHBondContact O-N 3.22Å; S91-G94 PolarHBondContact O-N 3.03Å; S91-I95 PolarHBondContact O-N 3.38Å; S91-F125 WeakPolarHBondContact O-CE1 3.31Å; S91-S128 WeakPolarHBondContact CB-OG 3.41Å
92A95.7Very high92.5Very high47 Ų4740.9 Ų40.939%0.38824%0.236SC..Hα-helixtrans-66.6-42.8175.800000111.4C88 I89 I95 C96C88-A92 WeakPolarHBondContact O-CB 3.47Å; C88-A92 PolarHBondContact O-N 2.96Å; I89-A92 WeakPolarHBondContact O-CB 3.26Å; I89-A92 PolarHBondContact O-N 2.93Å; A92-I95 VanDerWaalsContact O-CG2 3.24Å; A92-I95 WeakPolarHBondContact O-CG2 3.43Å; A92-I95 PolarHBondContact O-N 3.49Å; A92-C96 PolarHBondContact O-N 2.85Å; A92-C96 PolarHBondContact O-SG 3.09Å
93F95.4Very high91.6Very high121 Ų12142.3 Ų42.353%0.53124%0.235SC..Hα-helixtrans-63.4-43170.6-78.4-67.3000111.8I89 L90 I95 C96 I97I89-F93 HydrophobicContact CG2-CD2 3.68Å; I89-F93 HydrophobicContact CG2-CE2 3.5Å; I89-F93 WeakPolarHBondContact O-CD2 3.41Å; I89-F93 PolarHBondContact O-N 3.07Å; L90-F93 PolarHBondContact O-N 3.14Å; F93-I95 VanDerWaalsContact C-N 3.34Å; F93-I95 PolarHBondContact O-N 3.48Å; F93-C96 PolarHBondContact O-N 3.5Å; F93-I97 WeakPolarHBondContact O-CB 3.37Å; F93-I97 WeakPolarHBondContact O-CD1 3.28Å; F93-I97 WeakPolarHBondContact O-CG1 3.38Å; F93-I97 PolarHBondContact O-N 3.01Å
94G94.4Very high90.4Very high0 Ų045.9 Ų45.90%026%0.26CS..Hα-helixtrans-56-44.8176.800000112.7L90 S91 I97 T98 F125L90-G94 PolarHBondContact O-N 2.93Å; S91-G94 PolarHBondContact O-N 3.03Å; G94-I97 PolarHBondContact O-N 2.96Å; G94-T98 WeakPolarHBondContact O-CB 3.26Å; G94-T98 WeakPolarHBondContact O-CG2 3.45Å; G94-T98 PolarHBondContact O-N 3.39Å; G94-T98 PolarHBondContact O-OG1 2.85Å; G94-F125 VanDerWaalsContact C-CZ 3.43Å
95I94.7Very high89.3Confident29 Ų2947.6 Ų47.615%0.14927%0.27CS..Hα-helixtrans-70.2-39.3179.2-162.7159.4000112.8F11 L15 I18 S91 A92 F93 T98 T99 F125F11-I95 HydrophobicContact CE2-CD1 3.99Å; F11-I95 HydrophobicContact CE2-CG1 3.75Å; F11-I95 HydrophobicContact CZ-CD1 4.11Å; F11-I95 HydrophobicContact CZ-CG1 4.24Å; L15-I95 HydrophobicContact CD2-CD1 3.33Å; L15-I95 HydrophobicContact CG-CD1 4.03Å; I18-I95 HydrophobicContact CD1-CB 3.86Å; I18-I95 HydrophobicContact CD1-CD1 3.64Å; I18-I95 HydrophobicContact CD1-CG1 4.33Å; I18-I95 HydrophobicContact CD1-CG2 4.07Å; S91-I95 PolarHBondContact O-N 3.38Å; A92-I95 VanDerWaalsContact O-CG2 3.24Å; A92-I95 WeakPolarHBondContact O-CG2 3.43Å; A92-I95 PolarHBondContact O-N 3.49Å; F93-I95 VanDerWaalsContact C-N 3.34Å; F93-I95 PolarHBondContact O-N 3.48Å; I95-T98 WeakPolarHBondContact CA-OG1 2.92Å; I95-T98 PolarHBondContact O-OG1 2.79Å; I95-T99 VanDerWaalsContact O-CB 3.31Å; I95-T99 WeakPolarHBondContact O-CB 3.4Å; I95-T99 PolarHBondContact O-N 3.26Å; I95-T99 PolarHBondContact O-OG1 2.94Å; I95-F125 HydrophobicContact CB-CE1 4.38Å; I95-F125 HydrophobicContact CB-CZ 3.9Å; I95-F125 VanDerWaalsContact N-CZ 3.33Å
96C93.4Very high88Confident80 Ų8055 Ų5554%0.54130%0.298SS..Hα-helixtrans-60.2-48.2174.6-70.30000111.2A92 F93 T99 V100A92-C96 PolarHBondContact O-N 2.85Å; A92-C96 PolarHBondContact O-SG 3.09Å; F93-C96 PolarHBondContact O-N 3.5Å; C96-T99 PolarHBondContact O-N 2.65Å; C96-V100 PolarHBondContact O-N 3.16Å
97I91.6Very high86.3Confident50 Ų5057.3 Ų57.326%0.25631%0.31SS..Hα-helixtrans-64.7-48.4-179.8-67.9168.6000110.7F93 G94 T99 V100 G101 T117 A120F93-I97 WeakPolarHBondContact O-CB 3.37Å; F93-I97 WeakPolarHBondContact O-CD1 3.28Å; F93-I97 WeakPolarHBondContact O-CG1 3.38Å; F93-I97 PolarHBondContact O-N 3.01Å; G94-I97 PolarHBondContact O-N 2.96Å; I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 3.36Å; I97-V100 PolarHBondContact O-N 3.16Å; I97-G101 PolarHBondContact O-N 2.9Å; I97-T117 HydrophobicContact CG2-CG2 3.64Å; I97-T117 WeakPolarHBondContact CG2-O 3.45Å; I97-T117 WeakPolarHBondContact O-CG2 3.31Å; I97-A120 HydrophobicContact CG2-CB 4.3Å
98T90.7Very high84.4Confident1 Ų160.2 Ų60.21%0.00634%0.34CS..Hα-helixtrans-64.3-36.8179.950.40000112.6G94 I95 V100 G101 M102 F125 F181G94-T98 WeakPolarHBondContact O-CB 3.26Å; G94-T98 WeakPolarHBondContact O-CG2 3.45Å; G94-T98 PolarHBondContact O-N 3.39Å; G94-T98 PolarHBondContact O-OG1 2.85Å; I95-T98 WeakPolarHBondContact CA-OG1 2.92Å; I95-T98 PolarHBondContact O-OG1 2.79Å; T98-V100 VanDerWaalsContact C-N 3.28Å; T98-V100 PolarHBondContact O-N 3.49Å; T98-G101 CarbonylContact O-C 3.54Å; T98-G101 WeakPolarHBondContact O-CA 3.2Å; T98-G101 PolarHBondContact O-N 3.49Å; T98-M102 VanDerWaalsContact O-CG 3.27Å; T98-M102 WeakPolarHBondContact O-CG 3.46Å; T98-M102 PolarHBondContact O-N 3.29Å; T98-F125 HydrophobicContact CG2-CD2 4.07Å; T98-F125 HydrophobicContact CG2-CE2 3.57Å; T98-F181 HydrophobicContact CG2-CD1 4.31Å; T98-F181 HydrophobicContact CG2-CD2 4.12Å; T98-F181 HydrophobicContact CG2-CE1 4.39Å; T98-F181 HydrophobicContact CG2-CE2 4.21Å; T98-F181 HydrophobicContact CG2-CG 4.19Å; T98-F181 HydrophobicContact CG2-CZ 4.35Å
99T89.3Confident82.9Confident55 Ų5562 Ų6234%0.33736%0.363SS..Hα-helixtrans-58.9-39.5176.4-57.30000111.8I95 C96 I97 T105I95-T99 VanDerWaalsContact O-CB 3.31Å; I95-T99 WeakPolarHBondContact O-CB 3.4Å; I95-T99 PolarHBondContact O-N 3.26Å; I95-T99 PolarHBondContact O-OG1 2.94Å; C96-T99 PolarHBondContact O-N 2.65Å; I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 3.36Å; T99-T105 VanDerWaalsContact O-CB 3.24Å; T99-T105 WeakPolarHBondContact O-CB 3.27Å; T99-T105 PolarHBondContact O-OG1 3.48Å
100V87.1Confident81.8Confident66 Ų6663.9 Ų63.940%0.437%0.374SS..Hα-helixtrans-71.8-37174.1-179.20000111.4C96 I97 T98 M102 T117C96-V100 PolarHBondContact O-N 3.16Å; I97-V100 PolarHBondContact O-N 3.16Å; T98-V100 VanDerWaalsContact C-N 3.28Å; T98-V100 PolarHBondContact O-N 3.49Å; V100-M102 PolarHBondContact O-N 3.17Å; V100-T117 HydrophobicContact CB-CG2 4.4Å; V100-T117 HydrophobicContact CG1-CG2 4.48Å
101G82Confident80.8Confident5 Ų566.6 Ų66.65%0.05239%0.392CS..Hα-helixtrans-72.5-19.7179.200000115.6I97 T98 K114I97-G101 PolarHBondContact O-N 2.9Å; T98-G101 CarbonylContact O-C 3.54Å; T98-G101 WeakPolarHBondContact O-CA 3.2Å; T98-G101 PolarHBondContact O-N 3.49Å; G101-K114 WeakPolarHBondContact O-CE 3.45Å; G101-K114 WeakPolarHBondContact O-CG 3.33Å
102M82.8Confident79.8Confident18 Ų1870.7 Ų70.79%0.08941%0.414CS..SBendtrans-71.1136.8-176-80.7175.380.800113.1F11 T98 V100 C104 T105 K114 F181F11-M102 HydrophobicContact CB-CE 3.97Å; F11-M102 HydrophobicContact CB-SD 4.13Å; F11-M102 HydrophobicContact CD2-CE 4.4Å; F11-M102 HydrophobicContact CD2-SD 3.56Å; F11-M102 VanDerWaalsContact CD2-SD 3.56Å; F11-M102 HydrophobicContact CE2-SD 4.12Å; F11-M102 HydrophobicContact CG-CE 4.13Å; F11-M102 HydrophobicContact CG-SD 3.9Å; T98-M102 VanDerWaalsContact O-CG 3.27Å; T98-M102 WeakPolarHBondContact O-CG 3.46Å; T98-M102 PolarHBondContact O-N 3.29Å; V100-M102 PolarHBondContact O-N 3.17Å; M102-C104 PolarHBondContact O-N 3.43Å; M102-T105 PolarHBondContact O-N 2.95Å; M102-K114 WeakPolarHBondContact O-CE 3.2Å; M102-K114 PolarHBondContact O-NZ 2.98Å; M102-F181 HydrophobicContact CG-CE1 4.44Å
103K71.9Confident79Confident114 Ų11471.8 Ų71.850%0.49642%0.419SS..THydrogen-bonded Turntrans-52.9-33.8-177.5-72.4-179179.6171.30114T105 K114K103-T105 VanDerWaalsContact C-N 3.27Å; K103-T105 PolarHBondContact O-N 3.26Å; K103-K114 PolarHBondContact O-NZ 2.94Å
104C66.3Low78.3Confident103 Ų10367.9 Ų67.970%0.69640%0.402SS*.THydrogen-bonded Turntrans-70-19.2-178.7-54.40000113.9M102M102-C104 PolarHBondContact O-N 3.43Å
105T70.8Confident77.7Confident36 Ų3668.3 Ų68.322%0.22141%0.405CS..  trans-86.9119.4-179.5-54.10000110.2T99 M102 K103 L107 K114T99-T105 VanDerWaalsContact O-CB 3.24Å; T99-T105 WeakPolarHBondContact O-CB 3.27Å; T99-T105 PolarHBondContact O-OG1 3.48Å; M102-T105 PolarHBondContact O-N 2.95Å; K103-T105 VanDerWaalsContact C-N 3.27Å; K103-T105 PolarHBondContact O-N 3.26Å; T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 HydrophobicContact CG2-CB 3.95Å; T105-L107 PolarHBondContact O-N 2.96Å; T105-K114 PolarHBondContact O-NZ 3.25Å
106K65.9Low77.3Confident209 Ų20971.3 Ų71.391%0.90942%0.418SS*.  trans-79.80.1177.7-77.8-76.8-168.9172.40113.9
107L59.2Low77Confident127 Ų12769.5 Ų69.567%0.66540%0.404SS*.  trans-80.3116.6169.1-91.880.4000109.6T105T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 HydrophobicContact CG2-CB 3.95Å; T105-L107 PolarHBondContact O-N 2.96Å
108G56.3Low76.8Confident60 Ų6067.2 Ų67.262%0.61939%0.393SS*.  trans121134.7169.300000113.7
109G65.7Low76.8Confident65 Ų6570.6 Ų70.667%0.6741%0.408SS*.  trans-69.7-136.3-175.400000114.6
110D72.8Confident76.9Confident120 Ų12070 Ų7064%0.64241%0.409SS*.  trans-46.6147.6-162.6-155.1-81.3000115.2D112 S113 K114D110-D112 PolarHBondContact O-N 3.49Å; D110-D112 VanDerWaalsContact O-N 3.09Å; D110-D112 PolarHBondContact OD1-N 3.31Å; D110-S113 PolarHBondContact O-N 3.43Å; D110-K114 PolarHBondContact O-N 3.46Å
111T74.1Confident77.2Confident92 Ų9266.9 Ų66.956%0.56439%0.39SS*.Hα-helixtrans-56.9-31.1-174.7-620000111.3S115 K188T111-S115 PolarHBondContact O-N 2.94Å; T111-K188 PolarHBondContact O-NZ 3.46Å
112D76.5Confident77.8Confident86 Ų8666.7 Ų66.746%0.4639%0.387SS..Hα-helixtrans-70.3-49.7178.9-160.1-98.6000113.1D110 K114 S115 H116D110-D112 PolarHBondContact O-N 3.49Å; D110-D112 VanDerWaalsContact O-N 3.09Å; D110-D112 PolarHBondContact OD1-N 3.31Å; D112-K114 PolarHBondContact O-N 3.13Å; D112-S115 WeakPolarHBondContact O-CA 3.45Å; D112-S115 WeakPolarHBondContact O-CB 3.41Å; D112-S115 PolarHBondContact O-N 3.37Å; D112-H116 PolarHBondContact O-CD2 2.74Å; D112-H116 PolarHBondContact O-N 3.36Å; D112-H116 VanDerWaalsContact O-N 3.14Å; D112-H116 IonicContact OD1-CD2 2.69Å; D112-H116 PolarHBondContact OD1-CD2 3.46Å; D112-H116 IonicContact OD1-NE2 3.52Å
113S79.1Confident78.4Confident71 Ų7168.3 Ų68.350%0.49740%0.398SS..Hα-helixtrans-54.7-40.5176.5175.30000112.1D110 S115 H116 T117D110-S113 PolarHBondContact O-N 3.43Å; S113-S115 VanDerWaalsContact C-N 3.27Å; S113-S115 PolarHBondContact O-N 3.47Å; S113-H116 PolarHBondContact O-N 3.01Å; S113-T117 PolarHBondContact O-N 3.28Å; S113-T117 PolarHBondContact O-OG1 2.94Å
114K79.9Confident79.6Confident38 Ų3863.9 Ų63.917%0.16538%0.381CS..Hα-helixtrans-63.9-31.6176.6-168.6164.4-174.4167.90113.2G101 M102 K103 T105 D110 D112 C118G101-K114 WeakPolarHBondContact O-CE 3.45Å; G101-K114 WeakPolarHBondContact O-CG 3.33Å; M102-K114 WeakPolarHBondContact O-CE 3.2Å; M102-K114 PolarHBondContact O-NZ 2.98Å; K103-K114 PolarHBondContact O-NZ 2.94Å; T105-K114 PolarHBondContact O-NZ 3.25Å; D110-K114 PolarHBondContact O-N 3.46Å; D112-K114 PolarHBondContact O-N 3.13Å; K114-C118 WeakPolarHBondContact O-CB 3.31Å; K114-C118 PolarHBondContact O-N 3.48Å; K114-C118 VanDerWaalsContact O-N 3.09Å
115S82.4Confident81Confident9 Ų959 Ų596%0.06335%0.348CS..Hα-helixtrans-70.7-44175.2-161.20000111.9T111 D112 S113 C118 F119T111-S115 PolarHBondContact O-N 2.94Å; D112-S115 WeakPolarHBondContact O-CA 3.45Å; D112-S115 WeakPolarHBondContact O-CB 3.41Å; D112-S115 PolarHBondContact O-N 3.37Å; S113-S115 VanDerWaalsContact C-N 3.27Å; S113-S115 PolarHBondContact O-N 3.47Å; S115-C118 WeakPolarHBondContact O-CB 3.19Å; S115-C118 PolarHBondContact O-N 2.93Å; S115-F119 WeakPolarHBondContact O-CB 3.44Å; S115-F119 PolarHBondContact O-N 3.44Å
116H85.4Confident82.3Confident92 Ų9259.4 Ų59.443%0.42635%0.349SS..Hα-helixtrans-62.2-44.1177.4-82.3-99.1000111.6D112 S113 F119 A120D112-H116 PolarHBondContact O-CD2 2.74Å; D112-H116 PolarHBondContact O-N 3.36Å; D112-H116 VanDerWaalsContact O-N 3.14Å; D112-H116 IonicContact OD1-CD2 2.69Å; D112-H116 PolarHBondContact OD1-CD2 3.46Å; D112-H116 IonicContact OD1-NE2 3.52Å; S113-H116 PolarHBondContact O-N 3.01Å; H116-F119 PolarHBondContact O-N 3.06Å; H116-A120 WeakPolarHBondContact O-CB 3.34Å; H116-A120 PolarHBondContact O-N 2.9Å
117T87.6Confident83.8Confident42 Ų4253.1 Ų53.126%0.25832%0.324SS..Hα-helixtrans-62.9-45.4176.1-550000111.4I97 V100 S113 F119 A120 G121I97-T117 HydrophobicContact CG2-CG2 3.64Å; I97-T117 WeakPolarHBondContact CG2-O 3.45Å; I97-T117 WeakPolarHBondContact O-CG2 3.31Å; V100-T117 HydrophobicContact CB-CG2 4.4Å; V100-T117 HydrophobicContact CG1-CG2 4.48Å; S113-T117 PolarHBondContact O-N 3.28Å; S113-T117 PolarHBondContact O-OG1 2.94Å; T117-F119 VanDerWaalsContact C-N 3.33Å; T117-F119 PolarHBondContact O-N 3.49Å; T117-A120 PolarHBondContact O-N 3.49Å; T117-G121 PolarHBondContact O-N 3.04Å
118C87.7Confident85.6Confident3 Ų347 Ų472%0.0229%0.293CS..Hα-helixtrans-55.1-47173161.10000112.6K114 S115 G121 G122 C185K114-C118 WeakPolarHBondContact O-CB 3.31Å; K114-C118 PolarHBondContact O-N 3.48Å; K114-C118 VanDerWaalsContact O-N 3.09Å; S115-C118 WeakPolarHBondContact O-CB 3.19Å; S115-C118 PolarHBondContact O-N 2.93Å; C118-G121 PolarHBondContact O-N 2.82Å; C118-G122 PolarHBondContact O-N 3.32Å; C118-C185 HydrophobicContact CB-CB 4.17Å; C118-C185 WeakPolarHBondContact CB-SG 3.34Å; C118-C185 WeakPolarHBondContact SG-CB 3.34Å; C118-C185 CovalentContact SG-SG 2.06Å; C118-C185 PolarHBondContact SG-SG 2.05Å
119F89.8Confident87.5Confident72 Ų7244.2 Ų44.232%0.31626%0.263SS..Hα-helixtrans-63.7-46-179.9179-103000111.6S115 H116 T117 G121 G122 V123 C182 C185 F186S115-F119 WeakPolarHBondContact O-CB 3.44Å; S115-F119 PolarHBondContact O-N 3.44Å; H116-F119 PolarHBondContact O-N 3.06Å; T117-F119 VanDerWaalsContact C-N 3.33Å; T117-F119 PolarHBondContact O-N 3.49Å; F119-G121 VanDerWaalsContact C-N 3.3Å; F119-G121 PolarHBondContact O-N 3.24Å; F119-G122 PolarHBondContact O-N 2.87Å; F119-G122 VanDerWaalsContact O-N 3.14Å; F119-V123 HydrophobicContact CD1-CG2 4.34Å; F119-V123 HydrophobicContact CE1-CG2 3.88Å; F119-V123 HydrophobicContact CE2-CG2 4.29Å; F119-V123 HydrophobicContact CZ-CG2 3.84Å; F119-V123 WeakPolarHBondContact O-CG2 3.33Å; F119-V123 PolarHBondContact O-N 2.97Å; F119-C182 HydrophobicContact CD2-CB 4.26Å; F119-C182 HydrophobicContact CE2-CB 4.13Å; F119-C185 HydrophobicContact CB-CB 4.29Å; F119-F186 HydrophobicContact CD2-CD2 4.08Å; F119-F186 HydrophobicContact CD2-CE2 4.25Å; F119-F186 AromaticContact CE2-CD2 3.62Å; F119-F186 HydrophobicContact CE2-CD2 3.62Å; F119-F186 AromaticContact CE2-CE2 3.44Å; F119-F186 HydrophobicContact CE2-CE2 3.44Å; F119-F186 VanDerWaalsContact CE2-CE2 3.44Å; F119-F186 HydrophobicContact CZ-CD2 4.45Å; F119-F186 AromaticContact CZ-CE2 3.83Å; F119-F186 HydrophobicContact CZ-CE2 3.83Å
120A92.6Very high88.9Confident43 Ų4345 Ų4536%0.35525%0.251SS..Hα-helixtrans-57-43.6175.900000111.9I97 H116 T117 G122 V123 C124I97-A120 HydrophobicContact CG2-CB 4.3Å; H116-A120 WeakPolarHBondContact O-CB 3.34Å; H116-A120 PolarHBondContact O-N 2.9Å; T117-A120 PolarHBondContact O-N 3.49Å; A120-G122 PolarHBondContact O-N 3.34Å; A120-V123 PolarHBondContact O-N 3.22Å; A120-C124 PolarHBondContact O-N 3.07Å; A120-C124 PolarHBondContact O-SG 3.46Å; A120-C124 VanDerWaalsContact O-SG 3.33Å
121G93.4Very high90Very high0 Ų042.8 Ų42.80%024%0.236CC..Hα-helixtrans-63.8-38.5176.600000113.3T117 C118 F119 C124 F125T117-G121 PolarHBondContact O-N 3.04Å; C118-G121 PolarHBondContact O-N 2.82Å; F119-G121 VanDerWaalsContact C-N 3.3Å; F119-G121 PolarHBondContact O-N 3.24Å; G121-C124 WeakPolarHBondContact O-CB 3.39Å; G121-C124 PolarHBondContact O-N 2.89Å; G121-F125 WeakPolarHBondContact O-CD2 3.43Å; G121-F125 PolarHBondContact O-N 3.34Å; G121-F125 VanDerWaalsContact O-N 3.07Å
122G94Very high90.9Very high0 Ų038.4 Ų38.40%021%0.21CC..Hα-helixtrans-61.7-42.9172.900000112.9C118 F119 A120 F125 I126 G178 C182C118-G122 PolarHBondContact O-N 3.32Å; F119-G122 PolarHBondContact O-N 2.87Å; F119-G122 VanDerWaalsContact O-N 3.14Å; A120-G122 PolarHBondContact O-N 3.34Å; G122-F125 PolarHBondContact O-N 3.19Å; G122-I126 WeakPolarHBondContact O-CG1 3.45Å; G122-I126 PolarHBondContact O-N 2.88Å; G122-G178 WeakPolarHBondContact O-CA 3.47Å; G122-C182 VanDerWaalsContact C-SG 3.57Å
123V95.7Very high91.7Very high53 Ų5336.5 Ų36.532%0.32120%0.199SC..Hα-helixtrans-62.9-42.1175.3175.10000111.3F119 A120 F125 I126 L127F119-V123 HydrophobicContact CD1-CG2 4.34Å; F119-V123 HydrophobicContact CE1-CG2 3.88Å; F119-V123 HydrophobicContact CE2-CG2 4.29Å; F119-V123 HydrophobicContact CZ-CG2 3.84Å; F119-V123 WeakPolarHBondContact O-CG2 3.33Å; F119-V123 PolarHBondContact O-N 2.97Å; A120-V123 PolarHBondContact O-N 3.22Å; V123-F125 VanDerWaalsContact C-N 3.34Å; V123-F125 PolarHBondContact O-N 2.87Å; V123-I126 PolarHBondContact O-N 3.3Å; V123-L127 HydrophobicContact CG1-CD1 3.98Å; V123-L127 HydrophobicContact CG1-CG 4.36Å; V123-L127 WeakPolarHBondContact O-CG 3.4Å; V123-L127 PolarHBondContact O-N 2.99Å
124C96.4Very high92.4Very high21 Ų2136.9 Ų36.914%0.14220%0.198CC..Hα-helixtrans-58.4-43.6174.3-68.10000112L90 A120 G121 L127 S128L90-C124 HydrophobicContact CD1-CB 4.08Å; L90-C124 HydrophobicContact CG-CB 4.26Å; L90-C124 WeakPolarHBondContact CG-O 3.23Å; A120-C124 PolarHBondContact O-N 3.07Å; A120-C124 PolarHBondContact O-SG 3.46Å; A120-C124 VanDerWaalsContact O-SG 3.33Å; G121-C124 WeakPolarHBondContact O-CB 3.39Å; G121-C124 PolarHBondContact O-N 2.89Å; C124-L127 PolarHBondContact O-N 3.48Å; C124-S128 WeakPolarHBondContact O-CB 3.45Å; C124-S128 PolarHBondContact O-N 3.08Å
125F96.6Very high92.9Very high0 Ų035.2 Ų35.20%019%0.191CC..Hα-helixtrans-65.3-38.8176.5-74.3-48.2000113.3A14 I18 S91 G94 I95 T98 G121 G122 V123 S128 G129 L174 F181A14-F125 HydrophobicContact CB-CE1 4.07Å; A14-F125 HydrophobicContact CB-CE2 3.95Å; A14-F125 HydrophobicContact CB-CZ 3.68Å; I18-F125 HydrophobicContact CD1-CE1 4.14Å; S91-F125 WeakPolarHBondContact O-CE1 3.31Å; G94-F125 VanDerWaalsContact C-CZ 3.43Å; I95-F125 HydrophobicContact CB-CE1 4.38Å; I95-F125 HydrophobicContact CB-CZ 3.9Å; I95-F125 VanDerWaalsContact N-CZ 3.33Å; T98-F125 HydrophobicContact CG2-CD2 4.07Å; T98-F125 HydrophobicContact CG2-CE2 3.57Å; G121-F125 WeakPolarHBondContact O-CD2 3.43Å; G121-F125 PolarHBondContact O-N 3.34Å; G121-F125 VanDerWaalsContact O-N 3.07Å; G122-F125 PolarHBondContact O-N 3.19Å; V123-F125 VanDerWaalsContact C-N 3.34Å; V123-F125 PolarHBondContact O-N 2.87Å; F125-S128 PolarHBondContact O-N 3.41Å; F125-G129 PolarHBondContact O-N 2.87Å; F125-L174 HydrophobicContact CD1-CD2 3.91Å; F125-L174 HydrophobicContact CE1-CD2 4.31Å; F125-F181 HydrophobicContact CD2-CD2 4.11Å; F125-F181 HydrophobicContact CD2-CE2 4.39Å; F125-F181 HydrophobicContact CE2-CD2 4.25Å; F125-F181 HydrophobicContact CE2-CE2 4.11Å
126I97.2Very high93.3Very high45 Ų4534.8 Ų34.823%0.23119%0.188CC..Hα-helixtrans-62.4-49.8175.3-68.1172.6000110.3G122 V123 S128 G129 I130 L175 V179G122-I126 WeakPolarHBondContact O-CG1 3.45Å; G122-I126 PolarHBondContact O-N 2.88Å; V123-I126 PolarHBondContact O-N 3.3Å; I126-S128 VanDerWaalsContact C-N 3.33Å; I126-S128 PolarHBondContact O-N 3.49Å; I126-G129 PolarHBondContact O-N 2.99Å; I126-I130 HydrophobicContact CG2-CD1 3.92Å; I126-I130 WeakPolarHBondContact O-CG1 3.24Å; I126-I130 PolarHBondContact O-N 3.02Å; I126-L175 HydrophobicContact CB-CD2 4.48Å; I126-L175 HydrophobicContact CG2-CD2 4.14Å; I126-L175 WeakPolarHBondContact O-CD2 3.44Å; I126-V179 HydrophobicContact CD1-CG2 4.22Å
127L96.9Very high93.6Very high76 Ų7633 Ų3340%0.39819%0.186SC..Hα-helixtrans-60.9-43.4179-72.3172.4000111.4L90 V123 C124 I130 F131L90-L127 HydrophobicContact CD2-CB 3.37Å; L90-L127 HydrophobicContact CD2-CD1 4.37Å; V123-L127 HydrophobicContact CG1-CD1 3.98Å; V123-L127 HydrophobicContact CG1-CG 4.36Å; V123-L127 WeakPolarHBondContact O-CG 3.4Å; V123-L127 PolarHBondContact O-N 2.99Å; C124-L127 PolarHBondContact O-N 3.48Å; L127-I130 PolarHBondContact O-N 3.34Å; L127-F131 WeakPolarHBondContact O-CD2 3.43Å; L127-F131 PolarHBondContact O-N 3.08Å
128S96.8Very high93.8Very high0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-58.7-49.1175.7164.30000111.3S87 S91 C124 F125 I126 I130 F131 G132S87-S128 PolarHBondContact O-OG 3.41Å; S87-S128 PolarHBondContact OG-O 2.89Å; S87-S128 PolarHBondContact OG-OG 2.97Å; S91-S128 WeakPolarHBondContact CB-OG 3.41Å; C124-S128 WeakPolarHBondContact O-CB 3.45Å; C124-S128 PolarHBondContact O-N 3.08Å; F125-S128 PolarHBondContact O-N 3.41Å; I126-S128 VanDerWaalsContact C-N 3.33Å; I126-S128 PolarHBondContact O-N 3.49Å; S128-I130 VanDerWaalsContact C-N 3.29Å; S128-I130 PolarHBondContact O-N 2.66Å; S128-F131 PolarHBondContact O-N 3.4Å; S128-F131 VanDerWaalsContact O-N 3.09Å; S128-G132 PolarHBondContact O-N 2.74Å
129G96.2Very high93.7Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-57.5-39.7176.100000113F125 I126 G132 L133F125-G129 PolarHBondContact O-N 2.87Å; I126-G129 PolarHBondContact O-N 2.99Å; G129-G132 PolarHBondContact O-N 3.38Å; G129-L133 WeakPolarHBondContact O-CB 3.42Å; G129-L133 WeakPolarHBondContact O-CG 3.31Å; G129-L133 PolarHBondContact O-N 3.44Å
130I96.5Very high93.5Very high82 Ų8236.9 Ų36.942%0.42120%0.2SC..Hα-helixtrans-64.4-46.5174.9-65165.8000110.7I126 L127 S128 G132 L133 V134 L175I126-I130 HydrophobicContact CG2-CD1 3.92Å; I126-I130 WeakPolarHBondContact O-CG1 3.24Å; I126-I130 PolarHBondContact O-N 3.02Å; L127-I130 PolarHBondContact O-N 3.34Å; S128-I130 VanDerWaalsContact C-N 3.29Å; S128-I130 PolarHBondContact O-N 2.66Å; I130-G132 VanDerWaalsContact C-N 3.27Å; I130-G132 PolarHBondContact O-N 3.21Å; I130-L133 PolarHBondContact O-N 2.98Å; I130-L133 VanDerWaalsContact O-N 3.14Å; I130-V134 WeakPolarHBondContact O-CG2 3.41Å; I130-V134 PolarHBondContact O-N 3.4Å; I130-V134 VanDerWaalsContact O-N 3.07Å; I130-L175 HydrophobicContact CG1-CD2 4.23Å
131F94.9Very high93.2Very high73 Ų7341.9 Ų41.932%0.3221%0.209SC..Hα-helixtrans-62.5-30.7177.8-81.6-67.8000113.2T83 L86 L90 L127 S128 P135T83-F131 HydrophobicContact CG2-CD1 4.49Å; L86-F131 HydrophobicContact CD2-CD1 3.97Å; L86-F131 HydrophobicContact CD2-CD2 4.36Å; L86-F131 HydrophobicContact CD2-CE1 3.68Å; L86-F131 HydrophobicContact CD2-CE2 4.11Å; L86-F131 HydrophobicContact CD2-CG 4.32Å; L86-F131 HydrophobicContact CD2-CZ 3.76Å; L90-F131 HydrophobicContact CD2-CD2 4.24Å; L90-F131 HydrophobicContact CD2-CE2 4.44Å; L127-F131 WeakPolarHBondContact O-CD2 3.43Å; L127-F131 PolarHBondContact O-N 3.08Å; S128-F131 PolarHBondContact O-N 3.4Å; S128-F131 VanDerWaalsContact O-N 3.09Å; F131-P135 WeakPolarHBondContact O-CD 3.46Å
132G93.1Very high92.8Very high1 Ų144.8 Ų44.81%0.0122%0.223CC..Hα-helixtrans-77-32.1171.500000114.1S128 G129 I130 P135 T136S128-G132 PolarHBondContact O-N 2.74Å; G129-G132 PolarHBondContact O-N 3.38Å; I130-G132 VanDerWaalsContact C-N 3.27Å; I130-G132 PolarHBondContact O-N 3.21Å; G132-P135 WeakPolarHBondContact O-CD 3.46Å; G132-P135 WeakPolarHBondContact O-CG 3.37Å; G132-T136 WeakPolarHBondContact O-CG2 3.47Å; G132-T136 PolarHBondContact O-OG1 2.94Å
133L94.6Very high92.2Very high46 Ų4645.1 Ų45.124%0.24122%0.224CC..Hα-helixtrans-71-35.5177.1-81.6175.9000113.7G129 I130 T136 S137 F168 A171 L175G129-L133 WeakPolarHBondContact O-CB 3.42Å; G129-L133 WeakPolarHBondContact O-CG 3.31Å; G129-L133 PolarHBondContact O-N 3.44Å; I130-L133 PolarHBondContact O-N 2.98Å; I130-L133 VanDerWaalsContact O-N 3.14Å; L133-T136 VanDerWaalsContact CA-OG1 3.26Å; L133-T136 WeakPolarHBondContact CA-OG1 3.37Å; L133-T136 PolarHBondContact O-OG1 3.21Å; L133-S137 WeakPolarHBondContact O-CB 3.24Å; L133-S137 PolarHBondContact O-N 3.07Å; L133-S137 PolarHBondContact O-OG 2.89Å; L133-F168 HydrophobicContact CD2-CD1 3.57Å; L133-F168 HydrophobicContact CD2-CE1 3.87Å; L133-A171 HydrophobicContact CD2-CB 3.83Å; L133-A171 HydrophobicContact CG-CB 3.64Å; L133-L175 HydrophobicContact CD1-CD1 3.64Å
134V93.6Very high91.5Very high78 Ų7847.3 Ų47.347%0.47323%0.233SC..Hα-helixtrans-56.2-56.6-179.9170.20000112.3I130 W138I130-V134 WeakPolarHBondContact O-CG2 3.41Å; I130-V134 PolarHBondContact O-N 3.4Å; I130-V134 VanDerWaalsContact O-N 3.07Å; V134-W138 WeakPolarHBondContact O-CB 3.39Å; V134-W138 PolarHBondContact O-N 3.29Å
135P90.7Very high90.8Very high3 Ų348.5 Ų48.52%0.01924%0.242CC..Hα-helixtrans-67.9-37.8-179.627.2-36.1000112.9W30 A80 T83 M84 F131 G132 W138 Y139W30-P135 HydrophobicContact CH2-CB 4.49Å; A80-P135 HydrophobicContact CB-CB 3.67Å; T83-P135 WeakPolarHBondContact OG1-CG 3.24Å; M84-P135 HydrophobicContact CE-CG 3.94Å; M84-P135 HydrophobicContact CG-CG 3.98Å; M84-P135 HydrophobicContact SD-CG 4.21Å; F131-P135 WeakPolarHBondContact O-CD 3.46Å; G132-P135 WeakPolarHBondContact O-CD 3.46Å; G132-P135 WeakPolarHBondContact O-CG 3.37Å; P135-W138 PolarHBondContact O-N 3.4Å; P135-Y139 WeakPolarHBondContact O-CB 3.33Å; P135-Y139 VanDerWaalsContact O-CD2 3.31Å; P135-Y139 WeakPolarHBondContact O-CD2 3.48Å; P135-Y139 PolarHBondContact O-N 3.46Å
136T90.9Very high89.9Confident0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-64.9-41.9178.446.30000111.9W30 M84 G132 L133 T140W30-T136 HydrophobicContact CH2-CG2 3.99Å; W30-T136 HydrophobicContact CZ3-CG2 4.2Å; M84-T136 HydrophobicContact CE-CG2 3.67Å; G132-T136 WeakPolarHBondContact O-CG2 3.47Å; G132-T136 PolarHBondContact O-OG1 2.94Å; L133-T136 VanDerWaalsContact CA-OG1 3.26Å; L133-T136 WeakPolarHBondContact CA-OG1 3.37Å; L133-T136 PolarHBondContact O-OG1 3.21Å; T136-T140 WeakPolarHBondContact O-CB 3.31Å; T136-T140 PolarHBondContact O-N 3.32Å; T136-T140 PolarHBondContact O-OG1 2.93Å
137S91.7Very high88.8Confident55 Ų5550.9 Ų50.939%0.38525%0.253SS..Hα-helixtrans-66.3-41.7174.8-570000111.7L133 T140 R141L133-S137 WeakPolarHBondContact O-CB 3.24Å; L133-S137 PolarHBondContact O-N 3.07Å; L133-S137 PolarHBondContact O-OG 2.89Å; S137-T140 PolarHBondContact O-N 3.45Å; S137-R141 PolarHBondContact O-N 2.96Å
138W89.9Confident87.7Confident133 Ų13354.6 Ų54.650%0.50427%0.27SS..Hα-helixtrans-62.8-47.1177.5-165.7-82.2000112V134 P135 T140 R141 E142V134-W138 WeakPolarHBondContact O-CB 3.39Å; V134-W138 PolarHBondContact O-N 3.29Å; P135-W138 PolarHBondContact O-N 3.4Å; W138-T140 VanDerWaalsContact C-N 3.32Å; W138-T140 PolarHBondContact O-N 2.98Å; W138-R141 WeakPolarHBondContact O-CB 3.21Å; W138-R141 PolarHBondContact O-N 3Å; W138-E142 PolarHBondContact O-N 3.44Å
139Y85.4Confident86.6Confident15 Ų1558.2 Ų58.26%0.05929%0.289CS..Hα-helixtrans-60.4-42.7175.9-95.1-102.2000111.9W30 L50 Y76 V77 A80 P135 R141 E142 I143W30-Y139 HydrophobicContact CB-CD1 4.46Å; W30-Y139 HydrophobicContact CB-CE1 4.27Å; W30-Y139 AromaticContact CE3-CD1 3.8Å; W30-Y139 HydrophobicContact CE3-CD1 3.8Å; W30-Y139 AromaticContact CE3-CD2 3.92Å; W30-Y139 HydrophobicContact CE3-CD2 3.92Å; W30-Y139 HydrophobicContact CE3-CE1 4.09Å; W30-Y139 HydrophobicContact CE3-CE2 4.21Å; W30-Y139 AromaticContact CE3-CG 3.69Å; W30-Y139 HydrophobicContact CE3-CG 3.69Å; W30-Y139 AromaticContact CZ3-CD2 3.84Å; W30-Y139 HydrophobicContact CZ3-CD2 3.84Å; W30-Y139 HydrophobicContact CZ3-CE2 4.28Å; W30-Y139 AromaticContact CZ3-CG 3.96Å; W30-Y139 HydrophobicContact CZ3-CG 3.96Å; L50-Y139 HydrophobicContact CD1-CE2 4.13Å; L50-Y139 WeakPolarHBondContact CD1-OH 3.45Å; Y76-Y139 HydrophobicContact CD2-CE2 4.32Å; V77-Y139 WeakPolarHBondContact CG2-OH 3.39Å; A80-Y139 HydrophobicContact CB-CD2 4.3Å; A80-Y139 HydrophobicContact CB-CE2 3.56Å; P135-Y139 WeakPolarHBondContact O-CB 3.33Å; P135-Y139 VanDerWaalsContact O-CD2 3.31Å; P135-Y139 WeakPolarHBondContact O-CD2 3.48Å; P135-Y139 PolarHBondContact O-N 3.46Å; Y139-R141 VanDerWaalsContact C-N 3.34Å; Y139-R141 PolarHBondContact O-N 3.32Å; Y139-E142 PolarHBondContact O-N 2.65Å; Y139-I143 WeakPolarHBondContact O-CB 3.43Å; Y139-I143 WeakPolarHBondContact O-CD1 3.45Å; Y139-I143 VanDerWaalsContact O-CG1 3.24Å; Y139-I143 WeakPolarHBondContact O-CG1 3.43Å; Y139-I143 PolarHBondContact O-N 3.27Å
140T86.6Confident84.9Confident51 Ų5163.2 Ų63.231%0.31333%0.33SS..Hα-helixtrans-62-42.8177.3-54.70000111.5T136 S137 W138 E142 I143 I144 V164 F168T136-T140 WeakPolarHBondContact O-CB 3.31Å; T136-T140 PolarHBondContact O-N 3.32Å; T136-T140 PolarHBondContact O-OG1 2.93Å; S137-T140 PolarHBondContact O-N 3.45Å; W138-T140 VanDerWaalsContact C-N 3.32Å; W138-T140 PolarHBondContact O-N 2.98Å; T140-E142 VanDerWaalsContact C-N 3.33Å; T140-E142 PolarHBondContact O-N 3.3Å; T140-I143 PolarHBondContact O-N 3.31Å; T140-I144 WeakPolarHBondContact O-CG2 3.35Å; T140-I144 PolarHBondContact O-N 3.13Å; T140-V164 WeakPolarHBondContact OG1-CG1 2.68Å; T140-F168 WeakPolarHBondContact OG1-CE2 3.19Å
141R86.6Confident83.4Confident147 Ų14764.9 Ų64.956%0.55535%0.345SS*.Hα-helixtrans-59.2-44.6174.7-177.3-166.6178.3-89.6-0.7111.4S137 W138 Y139 I144 S145S137-R141 PolarHBondContact O-N 2.96Å; W138-R141 WeakPolarHBondContact O-CB 3.21Å; W138-R141 PolarHBondContact O-N 3Å; Y139-R141 VanDerWaalsContact C-N 3.34Å; Y139-R141 PolarHBondContact O-N 3.32Å; R141-I144 WeakPolarHBondContact O-CG2 3.32Å; R141-I144 PolarHBondContact O-N 3.32Å; R141-S145 WeakPolarHBondContact O-CB 3.24Å; R141-S145 PolarHBondContact O-N 3.46Å; R141-S145 PolarHBondContact O-OG 3.12Å; R141-S145 VanDerWaalsContact O-OG 3.13Å
142E83.8Confident81.9Confident61 Ų6163.4 Ų63.429%0.28534%0.341SS..Hα-helixtrans-67.2-41.2-179.4-162.863.5-155.800111.3W138 Y139 T140 S145 N146W138-E142 PolarHBondContact O-N 3.44Å; Y139-E142 PolarHBondContact O-N 2.65Å; T140-E142 VanDerWaalsContact C-N 3.33Å; T140-E142 PolarHBondContact O-N 3.3Å; E142-S145 WeakPolarHBondContact CA-OG 3.42Å; E142-S145 PolarHBondContact O-N 2.98Å; E142-S145 PolarHBondContact O-OG 3.05Å; E142-N146 WeakPolarHBondContact O-CB 3.29Å; E142-N146 PolarHBondContact O-N 2.75Å; E142-N146 PolarHBondContact O-ND2 3.19Å
143I81.6Confident80.3Confident7 Ų767 Ų674%0.03637%0.365CS..Hα-helixtrans-61-50.4175.8-73.2158.8000110.2K31 Y139 T140 S145 N146 F147 Q158 P160K31-I143 HydrophobicContact CD-CG1 4.39Å; K31-I143 HydrophobicContact CG-CD1 4.48Å; K31-I143 HydrophobicContact CG-CG1 4.21Å; Y139-I143 WeakPolarHBondContact O-CB 3.43Å; Y139-I143 WeakPolarHBondContact O-CD1 3.45Å; Y139-I143 VanDerWaalsContact O-CG1 3.24Å; Y139-I143 WeakPolarHBondContact O-CG1 3.43Å; Y139-I143 PolarHBondContact O-N 3.27Å; T140-I143 PolarHBondContact O-N 3.31Å; I143-S145 VanDerWaalsContact C-N 3.34Å; I143-S145 PolarHBondContact O-N 3.26Å; I143-N146 PolarHBondContact O-N 2.91Å; I143-F147 HydrophobicContact CG2-CD2 3.66Å; I143-F147 HydrophobicContact CG2-CE2 3.57Å; I143-F147 WeakPolarHBondContact O-CD2 3.45Å; I143-F147 PolarHBondContact O-N 2.87Å; I143-Q158 VanDerWaalsContact CG2-O 3.32Å; I143-Q158 WeakPolarHBondContact CG2-O 3.46Å; I143-P160 HydrophobicContact CD1-CB 4.19Å; I143-P160 HydrophobicContact CG2-CB 4.28Å
144I82.4Confident78.6Confident99 Ų9971.6 Ų71.651%0.50839%0.385SS..Hα-helixtrans-66.5-35.4-178.8-162.868.4000112.2T140 R141 F147 M148T140-I144 WeakPolarHBondContact O-CG2 3.35Å; T140-I144 PolarHBondContact O-N 3.13Å; R141-I144 WeakPolarHBondContact O-CG2 3.32Å; R141-I144 PolarHBondContact O-N 3.32Å; I144-F147 PolarHBondContact O-N 3.18Å; I144-M148 HydrophobicContact CG1-CG 4.5Å; I144-M148 VanDerWaalsContact O-CG 3.27Å; I144-M148 WeakPolarHBondContact O-CG 3.29Å; I144-M148 PolarHBondContact O-N 3.4Å; I144-M148 VanDerWaalsContact O-N 3.12Å
145S81.4Confident76.7Confident47 Ų4769.2 Ų69.233%0.32937%0.372SS..Hα-helixtrans-66.2-40.5175.659.20000111.7R141 E142 I143 F147 M148 D149R141-S145 WeakPolarHBondContact O-CB 3.24Å; R141-S145 PolarHBondContact O-N 3.46Å; R141-S145 PolarHBondContact O-OG 3.12Å; R141-S145 VanDerWaalsContact O-OG 3.13Å; E142-S145 WeakPolarHBondContact CA-OG 3.42Å; E142-S145 PolarHBondContact O-N 2.98Å; E142-S145 PolarHBondContact O-OG 3.05Å; I143-S145 VanDerWaalsContact C-N 3.34Å; I143-S145 PolarHBondContact O-N 3.26Å; S145-F147 VanDerWaalsContact C-N 3.31Å; S145-F147 PolarHBondContact O-N 3.02Å; S145-M148 PolarHBondContact O-N 3.19Å; S145-D149 PolarHBondContact O-N 3.4Å
146N76.6Confident75.3Confident39 Ų3970.4 Ų70.421%0.20938%0.38CS..Hα-helixtrans-67-31.2175.4-77.9-66000112.5E142 I143 Q158E142-N146 WeakPolarHBondContact O-CB 3.29Å; E142-N146 PolarHBondContact O-N 2.75Å; E142-N146 PolarHBondContact O-ND2 3.19Å; I143-N146 PolarHBondContact O-N 2.91Å; N146-Q158 HydrophobicContact CB-CG 4.44Å
147F74.1Confident74Confident55 Ų5573.5 Ų73.524%0.24139%0.394CS..Hα-helixtrans-69.5-34.1174-91.6-67.9000114.2I143 I144 S145 K157 Q158 E159I143-F147 HydrophobicContact CG2-CD2 3.66Å; I143-F147 HydrophobicContact CG2-CE2 3.57Å; I143-F147 WeakPolarHBondContact O-CD2 3.45Å; I143-F147 PolarHBondContact O-N 2.87Å; I144-F147 PolarHBondContact O-N 3.18Å; S145-F147 VanDerWaalsContact C-N 3.31Å; S145-F147 PolarHBondContact O-N 3.02Å; F147-K157 HydrophobicContact CD1-CB 4.13Å; F147-K157 HydrophobicContact CD1-CD 3.57Å; F147-K157 HydrophobicContact CD1-CG 3.48Å; F147-K157 VanDerWaalsContact CD1-CG 3.48Å; F147-K157 HydrophobicContact CE1-CB 3.75Å; F147-K157 HydrophobicContact CE1-CD 3.73Å; F147-K157 HydrophobicContact CE1-CG 3.62Å; F147-Q158 WeakPolarHBondContact CD2-O 3.43Å; F147-Q158 WeakPolarHBondContact CE2-O 3.32Å; F147-Q158 VanDerWaalsContact CZ-C 3.42Å; F147-Q158 WeakPolarHBondContact CZ-O 3.39Å; F147-E159 HydrophobicContact CZ-CB 4.35Å; F147-E159 HydrophobicContact CZ-CG 3.93Å
148M73.6Confident72.9Confident155 Ų15572.3 Ų72.376%0.76438%0.382SS*.Hα-helixtrans-88.6-11.3-175.4-66.9-70.4-80.200112.8I144 S145 A150I144-M148 HydrophobicContact CG1-CG 4.5Å; I144-M148 VanDerWaalsContact O-CG 3.27Å; I144-M148 WeakPolarHBondContact O-CG 3.29Å; I144-M148 PolarHBondContact O-N 3.4Å; I144-M148 VanDerWaalsContact O-N 3.12Å; S145-M148 PolarHBondContact O-N 3.19Å; M148-A150 PolarHBondContact O-N 3.27Å
149D74.6Confident72.4Confident75 Ų7571.1 Ų71.140%0.40138%0.382SS..  trans-78.1110.1177.4-162.7-23.7000110.6S145 T151 V152S145-D149 PolarHBondContact O-N 3.4Å; D149-T151 PolarHBondContact O-N 3.37Å; D149-T151 WeakPolarHBondContact OD1-CB 3.32Å; D149-T151 PolarHBondContact OD1-N 3.15Å; D149-T151 PolarHBondContact OD1-OG1 2.89Å; D149-T151 PolarHBondContact OD2-OG1 2.75Å; D149-V152 HydrophobicContact CB-CG2 4.18Å; D149-V152 PolarHBondContact O-N 3.34Å
150A61Low72Confident105 Ų10572.4 Ų72.487%0.86839%0.392SS*.THydrogen-bonded Turntrans-69.5-8.3-178.900000113.7M148 V152M148-A150 PolarHBondContact O-N 3.27Å; A150-V152 VanDerWaalsContact C-N 3.33Å
151T65.1Low71.9Confident118 Ų11870 Ų7072%0.72438%0.378SS*.THydrogen-bonded Turntrans-81.6-12.9175.862.50000113.2D149D149-T151 PolarHBondContact O-N 3.37Å; D149-T151 WeakPolarHBondContact OD1-CB 3.32Å; D149-T151 PolarHBondContact OD1-N 3.15Å; D149-T151 PolarHBondContact OD1-OG1 2.89Å; D149-T151 PolarHBondContact OD2-OG1 2.75Å
152V61.8Low71.9Confident41 Ų4164.5 Ų64.525%0.24837%0.366CS..SBendtrans-88.4123.2178-173.80000109.1D149 A150D149-V152 HydrophobicContact CB-CG2 4.18Å; D149-V152 PolarHBondContact O-N 3.34Å; A150-V152 VanDerWaalsContact C-N 3.33Å
153P60.1Low72.1Confident77 Ų7761.6 Ų61.650%0.535%0.353SS..  trans-60.8144.117723.4-31.1000110.7S155 S156P153-S155 PolarHBondContact O-N 3.47Å; P153-S156 PolarHBondContact O-N 2.78Å
154E59Low72.5Confident142 Ų14261.4 Ų61.466%0.66435%0.352SS*.G310 helixtrans-52.9-26.8179.9-72.7-69.6138.400112.7S156 K157E154-S156 PolarHBondContact O-N 3.49Å; E154-K157 IonicContact OE1-NZ 2.96Å; E154-K157 PolarHBondContact OE1-NZ 2.91Å; E154-K157 IonicContact OE2-NZ 3.4Å; E154-K157 PolarHBondContact OE2-NZ 3.3Å
155S54.5Low73Confident29 Ų2963 Ų6320%0.20335%0.353CS..G310 helixtrans-69.1-10.4175.358.90000115D35 V36 P153D35-S155 WeakPolarHBondContact CA-O 3.48Å; V36-S155 PolarHBondContact N-O 2.8Å; V36-S155 WeakPolarHBondContact O-CB 3.22Å; P153-S155 PolarHBondContact O-N 3.47Å
156S59.8Low73.6Confident28 Ų2863.4 Ų63.420%0.19635%0.351CS..G310 helixtrans-121.714.7-178.4-56.20000112.9P153 E154 Q158P153-S156 PolarHBondContact O-N 2.78Å; E154-S156 PolarHBondContact O-N 3.49Å; S156-Q158 WeakPolarHBondContact O-CG 3.49Å; S156-Q158 PolarHBondContact O-N 2.95Å
157K65Low74.4Confident65 Ų6561.6 Ų61.628%0.28334%0.341SS..  trans-60.5133.7174.7-107176.2179.7161.90110.8F147 E154F147-K157 HydrophobicContact CD1-CB 4.13Å; F147-K157 HydrophobicContact CD1-CD 3.57Å; F147-K157 HydrophobicContact CD1-CG 3.48Å; F147-K157 VanDerWaalsContact CD1-CG 3.48Å; F147-K157 HydrophobicContact CE1-CB 3.75Å; F147-K157 HydrophobicContact CE1-CD 3.73Å; F147-K157 HydrophobicContact CE1-CG 3.62Å; E154-K157 IonicContact OE1-NZ 2.96Å; E154-K157 PolarHBondContact OE1-NZ 2.91Å; E154-K157 IonicContact OE2-NZ 3.4Å; E154-K157 PolarHBondContact OE2-NZ 3.3Å
158Q68.6Low75.4Confident30 Ų3062.6 Ų62.614%0.1435%0.345CS..EExtended strand (participates in β ladder)trans-104.7103.4-168.9-46.7-170.8-21.100110.3K31 V32 N33 I143 N146 F147 S156K31-Q158 HydrophobicContact CD-CB 4.12Å; K31-Q158 VanDerWaalsContact CE-OE1 3.26Å; K31-Q158 HydrophobicContact CG-CB 4.15Å; V32-Q158 CarbonylContact O-C 3.35Å; V32-Q158 WeakPolarHBondContact O-CA 3.47Å; N33-Q158 WeakPolarHBondContact OD1-CB 3.48Å; N33-Q158 WeakPolarHBondContact OD1-CG 3.39Å; I143-Q158 VanDerWaalsContact CG2-O 3.32Å; I143-Q158 WeakPolarHBondContact CG2-O 3.46Å; N146-Q158 HydrophobicContact CB-CG 4.44Å; F147-Q158 WeakPolarHBondContact CD2-O 3.43Å; F147-Q158 WeakPolarHBondContact CE2-O 3.32Å; F147-Q158 VanDerWaalsContact CZ-C 3.42Å; F147-Q158 WeakPolarHBondContact CZ-O 3.39Å; S156-Q158 WeakPolarHBondContact O-CG 3.49Å; S156-Q158 PolarHBondContact O-N 2.95Å
159E78.6Confident76.5Confident108 Ų10859.8 Ų59.851%0.50533%0.332SS..EExtended strand (participates in β ladder)trans-74.7146.6179.3-63.8177.2153.600113.3V32 F147 G161V32-E159 HydrophobicContact CB-CB 4.22Å; V32-E159 PolarHBondContact N-O 3.25Å; V32-E159 PolarHBondContact O-N 2.97Å; F147-E159 HydrophobicContact CZ-CB 4.35Å; F147-E159 HydrophobicContact CZ-CG 3.93Å; E159-G161 PolarHBondContact O-N 3.43Å
160P78.3Confident77.6Confident42 Ų4256.3 Ų56.327%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-67.7123.4174.228.5-33.2000110.4I143 Y165I143-P160 HydrophobicContact CD1-CB 4.19Å; I143-P160 HydrophobicContact CG2-CB 4.28Å; P160-Y165 HydrophobicContact CB-CE2 4.24Å; P160-Y165 HydrophobicContact CG-CE2 4.31Å; P160-Y165 WeakPolarHBondContact CG-OH 3.21Å
161G82.8Confident79.2Confident1 Ų151.3 Ų51.31%0.0127%0.272CS..PPolyproline II helixtrans-74157179.100000113.2N29 W30 E159 A163 V164N29-G161 CarbonylContact O-C 3.16Å; N29-G161 VanDerWaalsContact O-CA 3.24Å; N29-G161 WeakPolarHBondContact O-CA 3.39Å; N29-G161 WeakPolarHBondContact OD1-CA 3.05Å; W30-G161 PolarHBondContact O-N 2.71Å; W30-G161 VanDerWaalsContact O-N 3.13Å; E159-G161 PolarHBondContact O-N 3.43Å; G161-A163 PolarHBondContact O-N 3.2Å; G161-A163 VanDerWaalsContact O-N 3.14Å; G161-V164 PolarHBondContact O-N 3.45Å; G161-V164 VanDerWaalsContact O-N 3.15Å
162G86.8Confident80.8Confident30 Ų3046.9 Ų46.931%0.30925%0.25SS..Hα-helixtrans-56.3-30-179.100000114.3N29 V164 Y165 I166N29-G162 PolarHBondContact O-N 3.01Å; N29-G162 PolarHBondContact OD1-N 3.36Å; G162-V164 VanDerWaalsContact C-N 3.29Å; G162-V164 PolarHBondContact O-N 3Å; G162-Y165 PolarHBondContact O-N 2.72Å; G162-I166 WeakPolarHBondContact O-CG1 3.34Å; G162-I166 PolarHBondContact O-N 2.91Å
163A89.3Confident82.5Confident0 Ų048.4 Ų48.40%025%0.254CS..Hα-helixtrans-65.9-31-17900000112.8L27 N29 W30 G161 I166 G167L27-A163 HydrophobicContact CB-CB 3.9Å; L27-A163 HydrophobicContact CD2-CB 4.33Å; N29-A163 WeakPolarHBondContact O-CB 3.49Å; N29-A163 PolarHBondContact O-N 2.93Å; W30-A163 HydrophobicContact CD2-CB 4.43Å; W30-A163 HydrophobicContact CG-CB 4.05Å; G161-A163 PolarHBondContact O-N 3.2Å; G161-A163 VanDerWaalsContact O-N 3.14Å; A163-I166 PolarHBondContact O-N 3.31Å; A163-G167 PolarHBondContact O-N 3.47Å
164V90.3Very high84.2Confident3 Ų344.7 Ų44.72%0.01823%0.23CC..Hα-helixtrans-66.2-43178.6-179.60000110.3W30 T140 G161 G162 G167 F168W30-V164 HydrophobicContact CD2-CG2 4.44Å; W30-V164 HydrophobicContact CE3-CG2 3.94Å; W30-V164 VanDerWaalsContact O-CG2 3.29Å; W30-V164 WeakPolarHBondContact O-CG2 3.49Å; T140-V164 WeakPolarHBondContact OG1-CG1 2.68Å; G161-V164 PolarHBondContact O-N 3.45Å; G161-V164 VanDerWaalsContact O-N 3.15Å; G162-V164 VanDerWaalsContact C-N 3.29Å; G162-V164 PolarHBondContact O-N 3Å; V164-G167 PolarHBondContact O-N 2.96Å; V164-F168 HydrophobicContact CG1-CD2 4.06Å; V164-F168 HydrophobicContact CG1-CE2 3.82Å; V164-F168 VanDerWaalsContact O-CD2 3.31Å; V164-F168 WeakPolarHBondContact O-CD2 3.24Å; V164-F168 PolarHBondContact O-N 2.71Å
165Y91.9Very high86Confident134 Ų13440.1 Ų40.153%0.52521%0.21SC..Hα-helixtrans-63.3-44.8175.6-63.6-76.2000112P160 G162 G167 F168 I169P160-Y165 HydrophobicContact CB-CE2 4.24Å; P160-Y165 HydrophobicContact CG-CE2 4.31Å; P160-Y165 WeakPolarHBondContact CG-OH 3.21Å; G162-Y165 PolarHBondContact O-N 2.72Å; Y165-G167 VanDerWaalsContact C-N 3.27Å; Y165-G167 PolarHBondContact O-N 3.48Å; Y165-F168 PolarHBondContact O-N 3.14Å; Y165-I169 WeakPolarHBondContact O-CG1 3.28Å; Y165-I169 PolarHBondContact O-N 3.13Å
166I94.1Very high88Confident55 Ų5542.8 Ų42.828%0.28222%0.221SC..Hα-helixtrans-60-41.7176-64.1169.1000110.1G20 T23 A24 L27 G162 A163 I169 A170G20-I166 WeakPolarHBondContact O-CG2 3.36Å; T23-I166 HydrophobicContact CG2-CD1 4.48Å; A24-I166 HydrophobicContact CB-CG2 4.24Å; L27-I166 HydrophobicContact CD2-CD1 4.09Å; G162-I166 WeakPolarHBondContact O-CG1 3.34Å; G162-I166 PolarHBondContact O-N 2.91Å; A163-I166 PolarHBondContact O-N 3.31Å; I166-I169 PolarHBondContact O-N 3.19Å; I166-A170 WeakPolarHBondContact O-CB 3.44Å; I166-A170 PolarHBondContact O-N 2.85Å
167G94.1Very high89.7Confident0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-61.4-42.8176.900000113.4A163 V164 Y165 A170 A171A163-G167 PolarHBondContact O-N 3.47Å; V164-G167 PolarHBondContact O-N 2.96Å; Y165-G167 VanDerWaalsContact C-N 3.27Å; Y165-G167 PolarHBondContact O-N 3.48Å; G167-A170 PolarHBondContact O-N 3.23Å; G167-A171 WeakPolarHBondContact O-CB 3.01Å; G167-A171 PolarHBondContact O-N 3.01Å
168F95.1Very high91.2Very high76 Ų7638.4 Ų38.433%0.33320%0.198SC..Hα-helixtrans-62.4-45.3174.2-84.8-68.6000112.5L133 T140 V164 Y165 G172L133-F168 HydrophobicContact CD2-CD1 3.57Å; L133-F168 HydrophobicContact CD2-CE1 3.87Å; T140-F168 WeakPolarHBondContact OG1-CE2 3.19Å; V164-F168 HydrophobicContact CG1-CD2 4.06Å; V164-F168 HydrophobicContact CG1-CE2 3.82Å; V164-F168 VanDerWaalsContact O-CD2 3.31Å; V164-F168 WeakPolarHBondContact O-CD2 3.24Å; V164-F168 PolarHBondContact O-N 2.71Å; Y165-F168 PolarHBondContact O-N 3.14Å; F168-G172 PolarHBondContact O-N 2.94Å
169I96.3Very high92.4Very high96 Ų9640.6 Ų40.649%0.49221%0.213SC..Hα-helixtrans-63.9-46.2179.3-65.3166.3000110.1Y165 I166 G172 F173Y165-I169 WeakPolarHBondContact O-CG1 3.28Å; Y165-I169 PolarHBondContact O-N 3.13Å; I166-I169 PolarHBondContact O-N 3.19Å; I169-G172 PolarHBondContact O-N 3.27Å; I169-F173 HydrophobicContact CG2-CD2 4.06Å; I169-F173 HydrophobicContact CG2-CE1 4.33Å; I169-F173 HydrophobicContact CG2-CE2 3.54Å; I169-F173 HydrophobicContact CG2-CZ 3.69Å; I169-F173 WeakPolarHBondContact O-CG 3.05Å; I169-F173 PolarHBondContact O-N 2.84Å
170A96.5Very high93.1Very high2 Ų236.6 Ų36.62%0.01720%0.195CC..Hα-helixtrans-58.8-50.1178.500000111.6D21 I166 G167 G172 F173 L174D21-A170 HydrophobicContact CB-CB 4.4Å; I166-A170 WeakPolarHBondContact O-CB 3.44Å; I166-A170 PolarHBondContact O-N 2.85Å; G167-A170 PolarHBondContact O-N 3.23Å; A170-G172 VanDerWaalsContact C-N 3.32Å; A170-G172 PolarHBondContact O-N 3.42Å; A170-F173 PolarHBondContact O-N 2.69Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 3.49Å
171A96.4Very high93.7Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-64.7-37.7178.600000112.1L133 G167 F173 L174 L175L133-A171 HydrophobicContact CD2-CB 3.83Å; L133-A171 HydrophobicContact CG-CB 3.64Å; G167-A171 WeakPolarHBondContact O-CB 3.01Å; G167-A171 PolarHBondContact O-N 3.01Å; A171-F173 PolarHBondContact O-N 3.1Å; A171-L174 PolarHBondContact O-N 2.77Å; A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 VanDerWaalsContact O-CG 3.3Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.18Å
172G96.8Very high94.1Very high25 Ų2535.3 Ų35.326%0.25819%0.187SC..Hα-helixtrans-57.9-46.5172.200000112.5F168 I169 A170 L175 I176F168-G172 PolarHBondContact O-N 2.94Å; I169-G172 PolarHBondContact O-N 3.27Å; A170-G172 VanDerWaalsContact C-N 3.32Å; A170-G172 PolarHBondContact O-N 3.42Å; G172-L175 PolarHBondContact O-N 3.1Å; G172-I176 WeakPolarHBondContact O-CB 3.49Å; G172-I176 WeakPolarHBondContact O-CD1 2.79Å; G172-I176 WeakPolarHBondContact O-CG1 3.29Å; G172-I176 PolarHBondContact O-N 3.11Å
173F97.5Very high94.1Very high73 Ų7337.2 Ų37.232%0.3219%0.193SC..Hα-helixtrans-64.1-41.2176.3-67.3-19.7000112.8L13 F16 I169 A170 A171 I176 A177L13-F173 HydrophobicContact CD2-CB 4.32Å; L13-F173 HydrophobicContact CD2-CD1 3.69Å; L13-F173 HydrophobicContact CD2-CE1 4.19Å; L13-F173 HydrophobicContact CD2-CG 4.06Å; F16-F173 HydrophobicContact CB-CD2 3.98Å; F16-F173 HydrophobicContact CB-CE2 4.32Å; I169-F173 HydrophobicContact CG2-CD2 4.06Å; I169-F173 HydrophobicContact CG2-CE1 4.33Å; I169-F173 HydrophobicContact CG2-CE2 3.54Å; I169-F173 HydrophobicContact CG2-CZ 3.69Å; I169-F173 WeakPolarHBondContact O-CG 3.05Å; I169-F173 PolarHBondContact O-N 2.84Å; A170-F173 PolarHBondContact O-N 2.69Å; A171-F173 PolarHBondContact O-N 3.1Å; F173-I176 PolarHBondContact O-N 3.08Å; F173-A177 VanDerWaalsContact O-CB 3.27Å; F173-A177 WeakPolarHBondContact O-CB 3.13Å; F173-A177 PolarHBondContact O-N 2.67Å
174L97Very high93.7Very high0 Ų037.8 Ų37.80%020%0.197CC..Hα-helixtrans-63.1-42.9175.8-69.5170.5000112.1I18 D21 F125 A170 A171 G178I18-L174 HydrophobicContact CG1-CD2 4.09Å; D21-L174 HydrophobicContact CB-CD1 4.4Å; F125-L174 HydrophobicContact CD1-CD2 3.91Å; F125-L174 HydrophobicContact CE1-CD2 4.31Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 3.49Å; A171-L174 PolarHBondContact O-N 2.77Å; L174-G178 PolarHBondContact O-N 3.45Å
175L97.2Very high92.8Very high46 Ų4638 Ų3824%0.24120%0.198CC..Hα-helixtrans-64.2-48.1176.7-72.2-176.9000111.9I126 I130 L133 A171 G172 A177 G178 V179I126-L175 HydrophobicContact CB-CD2 4.48Å; I126-L175 HydrophobicContact CG2-CD2 4.14Å; I126-L175 WeakPolarHBondContact O-CD2 3.44Å; I130-L175 HydrophobicContact CG1-CD2 4.23Å; L133-L175 HydrophobicContact CD1-CD1 3.64Å; A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 VanDerWaalsContact O-CG 3.3Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.18Å; G172-L175 PolarHBondContact O-N 3.1Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 2.72Å; L175-G178 PolarHBondContact O-N 3.36Å; L175-V179 VanDerWaalsContact O-CG2 3.32Å; L175-V179 WeakPolarHBondContact O-CG2 3.01Å; L175-V179 PolarHBondContact O-N 2.97Å
176I96.5Very high91.5Very high85 Ų8536.6 Ų36.644%0.43620%0.195SC..Hα-helixtrans-60.6-46.9179-68.1165.5000109.9L13 G172 F173 G178 V179 I180L13-I176 HydrophobicContact CD1-CG2 4.1Å; G172-I176 WeakPolarHBondContact O-CB 3.49Å; G172-I176 WeakPolarHBondContact O-CD1 2.79Å; G172-I176 WeakPolarHBondContact O-CG1 3.29Å; G172-I176 PolarHBondContact O-N 3.11Å; F173-I176 PolarHBondContact O-N 3.08Å; I176-G178 PolarHBondContact O-N 3.31Å; I176-V179 PolarHBondContact O-N 3.29Å; I176-I180 HydrophobicContact CG2-CD1 3.74Å; I176-I180 HydrophobicContact CG2-CG1 4.49Å; I176-I180 WeakPolarHBondContact O-CD1 3.38Å; I176-I180 VanDerWaalsContact O-CG1 3.22Å; I176-I180 WeakPolarHBondContact O-CG1 3.29Å; I176-I180 PolarHBondContact O-N 3.21Å
177A95.4Very high89.9Confident0 Ų041.1 Ų41.10%021%0.213CC..Hα-helixtrans-59-47.8176.500000111.6A10 L13 A14 F173 L175 V179 I180 F181A10-A177 WeakPolarHBondContact O-CB 3.27Å; L13-A177 HydrophobicContact CB-CB 4.17Å; A14-A177 HydrophobicContact CB-CB 3.88Å; F173-A177 VanDerWaalsContact O-CB 3.27Å; F173-A177 WeakPolarHBondContact O-CB 3.13Å; F173-A177 PolarHBondContact O-N 2.67Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 2.72Å; A177-V179 PolarHBondContact O-N 2.84Å; A177-I180 PolarHBondContact O-N 2.8Å; A177-F181 WeakPolarHBondContact O-CD2 3.2Å; A177-F181 PolarHBondContact O-N 2.75Å
178G95Very high88.1Confident0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-59.4-45.2178.600000113.2G122 L174 L175 I176 I180 F181 C182G122-G178 WeakPolarHBondContact O-CA 3.47Å; L174-G178 PolarHBondContact O-N 3.45Å; L175-G178 PolarHBondContact O-N 3.36Å; I176-G178 PolarHBondContact O-N 3.31Å; G178-I180 PolarHBondContact O-N 2.86Å; G178-F181 PolarHBondContact O-N 3.13Å; G178-C182 WeakPolarHBondContact O-CB 3.18Å; G178-C182 PolarHBondContact O-N 2.93Å; G178-C182 PolarHBondContact O-SG 3.25Å
179V94.8Very high86Confident76 Ų7645 Ų4546%0.46123%0.23SC..Hα-helixtrans-62.6-41.9176.2172.10000111.4I126 L175 I176 A177 C182 T183I126-V179 HydrophobicContact CD1-CG2 4.22Å; L175-V179 VanDerWaalsContact O-CG2 3.32Å; L175-V179 WeakPolarHBondContact O-CG2 3.01Å; L175-V179 PolarHBondContact O-N 2.97Å; I176-V179 PolarHBondContact O-N 3.29Å; A177-V179 PolarHBondContact O-N 2.84Å; V179-C182 PolarHBondContact O-N 3.45Å; V179-T183 HydrophobicContact CG1-CG2 4.16Å; V179-T183 WeakPolarHBondContact O-CB 3.4Å; V179-T183 VanDerWaalsContact O-CG2 3.29Å; V179-T183 WeakPolarHBondContact O-CG2 3.08Å; V179-T183 PolarHBondContact O-N 3.41Å; V179-T183 PolarHBondContact O-OG1 3.13Å
180I93Very high83.9Confident24 Ų2446.4 Ų46.412%0.12324%0.235CC..Hα-helixtrans-63.8-42.8177.3-65.8164.9000110.8L6 A10 L13 I176 A177 G178 T183 S184L6-I180 HydrophobicContact CD1-CG2 3.99Å; L6-I180 HydrophobicContact CD2-CG2 4.02Å; L6-I180 HydrophobicContact CG-CG2 3.62Å; A10-I180 HydrophobicContact CB-CB 3.89Å; A10-I180 HydrophobicContact CB-CD1 4.25Å; A10-I180 HydrophobicContact CB-CG2 3.64Å; L13-I180 HydrophobicContact CD1-CD1 4.37Å; I176-I180 HydrophobicContact CG2-CD1 3.74Å; I176-I180 HydrophobicContact CG2-CG1 4.49Å; I176-I180 WeakPolarHBondContact O-CD1 3.38Å; I176-I180 VanDerWaalsContact O-CG1 3.22Å; I176-I180 WeakPolarHBondContact O-CG1 3.29Å; I176-I180 PolarHBondContact O-N 3.21Å; A177-I180 PolarHBondContact O-N 2.8Å; G178-I180 PolarHBondContact O-N 2.86Å; I180-T183 PolarHBondContact O-OG1 3.48Å; I180-S184 WeakPolarHBondContact O-CB 3.5Å; I180-S184 PolarHBondContact O-N 2.9Å; I180-S184 PolarHBondContact O-OG 2.85Å
181F90.9Very high81.6Confident2 Ų249.5 Ų49.51%0.00927%0.267CS..Hα-helixtrans-63.8-45.6175.8-78.8-62.6000112A10 F11 T98 M102 F125 A177 G178 S184 C185A10-F181 HydrophobicContact CB-CD2 4.17Å; A10-F181 HydrophobicContact CB-CE1 4.48Å; A10-F181 HydrophobicContact CB-CE2 3.77Å; A10-F181 HydrophobicContact CB-CZ 3.94Å; F11-F181 HydrophobicContact CB-CZ 4.19Å; T98-F181 HydrophobicContact CG2-CD1 4.31Å; T98-F181 HydrophobicContact CG2-CD2 4.12Å; T98-F181 HydrophobicContact CG2-CE1 4.39Å; T98-F181 HydrophobicContact CG2-CE2 4.21Å; T98-F181 HydrophobicContact CG2-CG 4.19Å; T98-F181 HydrophobicContact CG2-CZ 4.35Å; M102-F181 HydrophobicContact CG-CE1 4.44Å; F125-F181 HydrophobicContact CD2-CD2 4.11Å; F125-F181 HydrophobicContact CD2-CE2 4.39Å; F125-F181 HydrophobicContact CE2-CD2 4.25Å; F125-F181 HydrophobicContact CE2-CE2 4.11Å; A177-F181 WeakPolarHBondContact O-CD2 3.2Å; A177-F181 PolarHBondContact O-N 2.75Å; G178-F181 PolarHBondContact O-N 3.13Å; F181-S184 PolarHBondContact O-N 2.81Å; F181-C185 PolarHBondContact O-N 2.81Å
182C90.3Very high79.3Confident14 Ų1453.9 Ų53.910%0.09530%0.296CS..Hα-helixtrans-60.8-50177.9-730000112.3F119 G122 G178 V179 S184 C185 F186F119-C182 HydrophobicContact CD2-CB 4.26Å; F119-C182 HydrophobicContact CE2-CB 4.13Å; G122-C182 VanDerWaalsContact C-SG 3.57Å; G178-C182 WeakPolarHBondContact O-CB 3.18Å; G178-C182 PolarHBondContact O-N 2.93Å; G178-C182 PolarHBondContact O-SG 3.25Å; V179-C182 PolarHBondContact O-N 3.45Å; C182-S184 PolarHBondContact O-N 3.45Å; C182-C185 PolarHBondContact O-N 3.01Å; C182-F186 WeakPolarHBondContact O-CB 3.11Å; C182-F186 PolarHBondContact O-N 2.95Å
183T87.8Confident76.7Confident71 Ų7163.2 Ų63.244%0.43632%0.323SS..Hα-helixtrans-69.2-33.7-17855.20000113V179 I180 C185 K187V179-T183 HydrophobicContact CG1-CG2 4.16Å; V179-T183 WeakPolarHBondContact O-CB 3.4Å; V179-T183 VanDerWaalsContact O-CG2 3.29Å; V179-T183 WeakPolarHBondContact O-CG2 3.08Å; V179-T183 PolarHBondContact O-N 3.41Å; V179-T183 PolarHBondContact O-OG1 3.13Å; I180-T183 PolarHBondContact O-OG1 3.48Å; T183-C185 VanDerWaalsContact C-N 3.26Å; T183-C185 PolarHBondContact O-N 3.47Å; T183-K187 PolarHBondContact O-N 3.07Å
184S80.8Confident74.2Confident12 Ų1266.9 Ų66.98%0.08435%0.345CS..Hα-helixtrans-65.2-32176.3-66.20000112.6A2 I180 F181 C182A2-S184 VanDerWaalsContact CB-OG 3.28Å; A2-S184 WeakPolarHBondContact CB-OG 3.41Å; I180-S184 WeakPolarHBondContact O-CB 3.5Å; I180-S184 PolarHBondContact O-N 2.9Å; I180-S184 PolarHBondContact O-OG 2.85Å; F181-S184 PolarHBondContact O-N 2.81Å; C182-S184 PolarHBondContact O-N 3.45Å
185C70.4Confident71.5Confident8 Ų873.5 Ų73.55%0.05438%0.38CS..Hα-helixtrans-92.7-29.9-177.8-700000111.7C118 F119 F181 C182 T183 K187 K188 Q189C118-C185 HydrophobicContact CB-CB 4.17Å; C118-C185 WeakPolarHBondContact CB-SG 3.34Å; C118-C185 WeakPolarHBondContact SG-CB 3.34Å; C118-C185 CovalentContact SG-SG 2.06Å; C118-C185 PolarHBondContact SG-SG 2.05Å; F119-C185 HydrophobicContact CB-CB 4.29Å; F181-C185 PolarHBondContact O-N 2.81Å; C182-C185 PolarHBondContact O-N 3.01Å; T183-C185 VanDerWaalsContact C-N 3.26Å; T183-C185 PolarHBondContact O-N 3.47Å; C185-K187 PolarHBondContact O-N 3.03Å; C185-K188 WeakPolarHBondContact O-CB 3.38Å; C185-K188 PolarHBondContact O-N 3.1Å; C185-Q189 PolarHBondContact O-N 3Å
186F64.9Low69Low104 Ų10476.1 Ų76.146%0.45640%0.4SS..Hα-helixtrans-61.1-41.8169.1-113.1-84.8000113.9F119 C182 K188 Q189 Q190F119-F186 HydrophobicContact CD2-CD2 4.08Å; F119-F186 HydrophobicContact CD2-CE2 4.25Å; F119-F186 AromaticContact CE2-CD2 3.62Å; F119-F186 HydrophobicContact CE2-CD2 3.62Å; F119-F186 AromaticContact CE2-CE2 3.44Å; F119-F186 HydrophobicContact CE2-CE2 3.44Å; F119-F186 VanDerWaalsContact CE2-CE2 3.44Å; F119-F186 HydrophobicContact CZ-CD2 4.45Å; F119-F186 AromaticContact CZ-CE2 3.83Å; F119-F186 HydrophobicContact CZ-CE2 3.83Å; C182-F186 WeakPolarHBondContact O-CB 3.11Å; C182-F186 PolarHBondContact O-N 2.95Å; F186-K188 PolarHBondContact O-N 3.36Å; F186-K188 VanDerWaalsContact O-N 3.08Å; F186-Q189 PolarHBondContact O-N 3.06Å; F186-Q190 PolarHBondContact O-N 2.99Å
187K60.7Low66.4Low150 Ų15078.3 Ų78.365%0.65242%0.417SS*.Hα-helixtrans-60.9-19.8176.6-78.2-175.8177.9-179.30113.5T183 C185T183-K187 PolarHBondContact O-N 3.07Å; C185-K187 PolarHBondContact O-N 3.03Å
188K56.5Low63.4Low79 Ų7988.4 Ų88.434%0.34346%0.461SS..Hα-helixtrans-84.5-35.2176.1-166-179.4175-1690111.6T111 C185 F186 G191 P192T111-K188 PolarHBondContact O-NZ 3.46Å; C185-K188 WeakPolarHBondContact O-CB 3.38Å; C185-K188 PolarHBondContact O-N 3.1Å; F186-K188 PolarHBondContact O-N 3.36Å; F186-K188 VanDerWaalsContact O-N 3.08Å; K188-G191 PolarHBondContact O-N 2.99Å; K188-P192 WeakPolarHBondContact O-CD 3.42Å
189Q52.4Low60.3Low78 Ų7896.8 Ų96.836%0.36450%0.5SS..Hα-helixtrans-75.2-20.1178.6-128.6-172-4.200113.8C185 F186 P192C185-Q189 PolarHBondContact O-N 3Å; F186-Q189 PolarHBondContact O-N 3.06Å; Q189-P192 WeakPolarHBondContact O-CD 3.26Å
190Q51.4Low57.5Low126 Ų126101.8 Ų101.859%0.58952%0.519SS*.THydrogen-bonded Turntrans-79.9-17.3171.5-73.1-175.3-1600113.5F186 W193F186-Q190 PolarHBondContact O-N 2.99Å; Q190-W193 PolarHBondContact O-N 3.32Å
191G47.9Very low54.3Low67 Ų67110 Ų11069%0.69156%0.556SS**THydrogen-bonded Turntrans-64.1-25.6177.800000116.3K188K188-G191 PolarHBondContact O-N 2.99Å
192P49Very low51.3Low92 Ų92119 Ų11960%0.59760%0.596SS**THydrogen-bonded Turntrans-99.8-7.7174.3-5.126000114.9K188 Q189K188-P192 WeakPolarHBondContact O-CD 3.42Å; Q189-P192 WeakPolarHBondContact O-CD 3.26Å
193W41.8Very low48.5Very low220 Ų220123.5 Ų123.583%0.83363%0.625SS**SBendtrans-104.27.8-171.4-82.494.9000114.9Q190Q190-W193 PolarHBondContact O-N 3.32Å
194I45.5Very low45.6Very low151 Ų151125.9 Ų125.977%0.77464%0.644SS**  trans-10370.2163.7-49.8178.1000107.6
195D39.1Very low43.2Very low138 Ų138131.8 Ų131.874%0.73868%0.68SS**  trans-141.794.7156-148.3-6.4000107.6
196P45.3Very low41.1Very low102 Ų102139 Ų13966%0.66271%0.713SS**  trans-79.1128166.831.7-24.8000107
197T42Very low39.3Very low130 Ų130140.7 Ų140.780%0.79872%0.722SS**  trans90.692168.1650000118.3
198K31Very low37.7Very low213 Ų213140.3 Ų140.393%0.92672%0.723SS**  -145.8126.5115.3-120.1-179.6-175.8-176.30112.2
199Q31.4Very low36.2Very low176 Ų176142.1 Ų142.182%0.82274%0.736SS**  trans-59.9142.3-178.9-71.9161-64.500112.5
200Q34.8Very low35.1Very low181 Ų181145.3 Ų145.385%0.84676%0.756SS**  trans2.3120.5149.3-68.2164.1-63.200117.4
201H26.5Very low34.3Very low197 Ų197143.7 Ų143.791%0.91276%0.764SS**  trans-140.4121.5137.8-12767.3000110.6
202F27Very low33.5Very low190 Ų190143.2 Ų143.283%0.83376%0.759SS**  trans-81.2148.6175.1-153.5-94.5000109
203P33.2Very low33.1Very low109 Ų109149.2 Ų149.271%0.70877%0.771SS**  trans-89.5140.1-177.934.1-30.4000111.3
204S26.4Very low32.7Very low121 Ų121146.1 Ų146.185%0.84677%0.771SS**  trans-130.4120.1162.357.60000110.4
205T30.5Very low33Very low135 Ų135146.7 Ų146.783%0.82878%0.775SS**  trans-66.2162.9170.3-35.60000111.6
206Q26.7Very low33.1Very low159 Ų159149 Ų14974%0.74378%0.778SS**  trans98109.3162.3-84.8-173-74.200120.1
207Q27.3Very low33Very low141 Ų141151.8 Ų151.866%0.65979%0.788SS**  71.4130.4108.1-160171.6-29.200120.7
208E26.3Very low33.4Very low141 Ų141156.4 Ų156.466%0.65979%0.792SS**  trans83.6124.6151.9-101.1173.883.100122.7
209N25.2Very low34Very low118 Ų118156.7 Ų156.763%0.63181%0.811SS**  trans82.4123.8135.7-72.2-28.2000122.9
210N29.2Very low34.1Very low144 Ų144155.8 Ų155.877%0.7781%0.811SS**  trans85.1122.5135.6-78-41.7000122.5
211A34.5Very low34.1Very low92 Ų92154.4 Ų154.476%0.7681%0.809SS**  trans75.7129.6135.100000120.4
212G31.4Very low34.5Very low58 Ų58152.1 Ų152.160%0.59880%0.803SS**  trans143.669.2156.100000116.3
213Y39.3Very low35Very low217 Ų217149.8 Ų149.885%0.85180%0.802SS**  trans-48.2132.71642.1-90.1000111.4
214N34.8Very low35.1Very low155 Ų155152.4 Ų152.483%0.82981%0.807SS**  trans-117.3121.3170.1-114.7-83.4000111.1
215L50.6Low35.7Very low163 Ų163154.5 Ų154.585%0.85381%0.805SS**  trans-106.990.5-171.6-176.2124.3000107.6
216K41.2Very low36Very low186 Ų186155.9 Ų155.981%0.80980%0.803SS**  trans-157.57.3175.1-112.1160.9-169.9-176.50118.7
217D42.9Very low36.7Very low161 Ų161155.6 Ų155.686%0.86181%0.808SS**  trans-100.135.7176.4-74.8-43.7000114.5
218Y51.1Low37.5Very low228 Ų228156.8 Ų156.889%0.89482%0.82SS**  trans-135.978169.4-67.3-81.3000111.3
219V43.8Very low38.6Very low219 Ų219158.3 Ų158.3100%1.32784%0.835SS**  trans-1460143.8-176.30000108.3

Retrieved 219 of 219 residues in 79.5 ms (Link to these results)

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