A0A096MCN4_POEFO Loading...

Transmembrane and TPR repeat-containing protein 1-like

AlphaFold DB , UniProt , Accession A0A096MCN4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 172 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
1M51.4Low61.4Low241 Ų241126.4 Ų126.4100%1.18768%0.679SS**  048.40-70.2171.1168.500112.1
2T54.3Low62.9Low125 Ų125126.8 Ų126.877%0.76767%0.673SS**  trans-119.20-173.147.40000114.7
3V56.9Low64.3Low107 Ų107128.3 Ų128.365%0.64867%0.67SS**SBendtrans-75.7-36.5-176.7-178.60000111.8G5 R6V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.26Å; V3-R6 PolarHBondContact O-N 3.39Å
4S55.4Low65.3Low90 Ų90122 Ų12263%0.62965%0.652SS**Hα-helixtrans-63.8-29.3-177.5-179.60000114.2R6 T8S4-R6 PolarHBondContact O-N 3.27Å; S4-T8 WeakPolarHBondContact O-CG2 3.44Å; S4-T8 PolarHBondContact O-OG1 3.46Å
5G56.4Low66.5Low42 Ų42124.6 Ų124.643%0.43365%0.649SS.*Hα-helixtrans-78.8-13.9179.800000115.3V3 T8 K9V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.26Å; G5-T8 PolarHBondContact O-OG1 2.94Å; G5-K9 WeakPolarHBondContact O-CG 3.29Å
6R60Low67.9Low215 Ų215122.9 Ų122.981%0.81164%0.641SS**Hα-helixtrans-90.3-36.9-178.8-135.1178.9-163.3174.14.3111.5V3 S4 G10V3-R6 PolarHBondContact O-N 3.39Å; S4-R6 PolarHBondContact O-N 3.27Å; R6-G10 PolarHBondContact O-N 3.24Å
7E62Low69.1Low146 Ų146121.1 Ų121.168%0.68263%0.631SS**Hα-helixtrans-68.2-42176.7-68.3-173.8151.100112.3K9 G10 H11E7-K9 PolarHBondContact O-N 3.49Å; E7-G10 PolarHBondContact O-N 3.24Å; E7-H11 PolarHBondContact O-N 3.02Å
8T67.4Low70Confident79 Ų79120.3 Ų120.349%0.48563%0.627SS.*Hα-helixtrans-64-40.1178.2520000112.5S4 G5 H11 Q12S4-T8 WeakPolarHBondContact O-CG2 3.44Å; S4-T8 PolarHBondContact O-OG1 3.46Å; G5-T8 PolarHBondContact O-OG1 2.94Å; T8-H11 PolarHBondContact O-N 3.28Å; T8-Q12 VanDerWaalsContact O-CB 3.29Å; T8-Q12 WeakPolarHBondContact O-CB 3.38Å; T8-Q12 PolarHBondContact O-N 3.01Å
9K68.3Low71Confident154 Ų154120.3 Ų120.367%0.6762%0.624SS**Hα-helixtrans-65.2-38.9175.2-75.6-175178.9-173.80112.9G5 E7 K13G5-K9 WeakPolarHBondContact O-CG 3.29Å; E7-K9 PolarHBondContact O-N 3.49Å; K9-K13 WeakPolarHBondContact O-CB 3.41Å; K9-K13 PolarHBondContact O-N 3.5Å
10G71.7Confident71.9Confident47 Ų47119.6 Ų119.649%0.48562%0.62SS.*Hα-helixtrans-65.1-44.8175.600000112.2R6 E7 Q12 K13 G14R6-G10 PolarHBondContact O-N 3.24Å; E7-G10 PolarHBondContact O-N 3.24Å; G10-Q12 PolarHBondContact O-N 3.04Å; G10-K13 PolarHBondContact O-N 2.99Å; G10-G14 PolarHBondContact O-N 3.44Å
11H71.1Confident72.6Confident144 Ų144120 Ų12067%0.66762%0.619SS**Hα-helixtrans-65.2-39.7178-142.679000112.2E7 T8 R15E7-H11 PolarHBondContact O-N 3.02Å; T8-H11 PolarHBondContact O-N 3.28Å; H11-R15 WeakPolarHBondContact O-CB 3.47Å; H11-R15 PolarHBondContact O-N 3.39Å
12Q79.5Confident74.4Confident132 Ų132112.9 Ų112.962%0.61759%0.589SS**Hα-helixtrans-68.1-40.6176.9-169.5173.5-100112.2T8 G10 R15 L16T8-Q12 VanDerWaalsContact O-CB 3.29Å; T8-Q12 WeakPolarHBondContact O-CB 3.38Å; T8-Q12 PolarHBondContact O-N 3.01Å; G10-Q12 PolarHBondContact O-N 3.04Å; Q12-R15 PolarHBondContact O-N 3.03Å; Q12-L16 PolarHBondContact O-N 3.45Å
13K81.3Confident76.1Confident146 Ų146109.8 Ų109.864%0.63558%0.576SS**Hα-helixtrans-64.7-43.5175.5-171.6177.3174.7-178.10111.7K9 G10 L16 L17K9-K13 WeakPolarHBondContact O-CB 3.41Å; K9-K13 PolarHBondContact O-N 3.5Å; G10-K13 PolarHBondContact O-N 2.99Å; K13-L16 PolarHBondContact O-N 3.4Å; K13-L17 HydrophobicContact CG-CD1 4.38Å; K13-L17 WeakPolarHBondContact O-CG 3.47Å; K13-L17 PolarHBondContact O-N 3.02Å
14G78.6Confident77.6Confident40 Ų40110.8 Ų110.841%0.41257%0.568SS.*Hα-helixtrans-62-42.5175.900000112.7G10 L16 L17 L18G10-G14 PolarHBondContact O-N 3.44Å; G14-L16 VanDerWaalsContact C-N 3.34Å; G14-L16 PolarHBondContact O-N 3.35Å; G14-L17 PolarHBondContact O-N 2.97Å; G14-L18 WeakPolarHBondContact O-CB 3.31Å; G14-L18 PolarHBondContact O-N 3.01Å
15R83.9Confident79.2Confident161 Ų161107.6 Ų107.661%0.60855%0.547SS*.Hα-helixtrans-62.1-40.8174.4-175.6179.8-77.5-167.2-4112.1H11 Q12 Q19H11-R15 WeakPolarHBondContact O-CB 3.47Å; H11-R15 PolarHBondContact O-N 3.39Å; Q12-R15 PolarHBondContact O-N 3.03Å; R15-Q19 VanDerWaalsContact O-CG 3.31Å; R15-Q19 WeakPolarHBondContact O-CG 3.36Å; R15-Q19 PolarHBondContact O-N 3.04Å
16L88.1Confident80.8Confident98 Ų98108 Ų10851%0.51355%0.546SS..Hα-helixtrans-66.5-41.9179.6-147.298.3000112Q12 K13 G14 Q19 L20Q12-L16 PolarHBondContact O-N 3.45Å; K13-L16 PolarHBondContact O-N 3.4Å; G14-L16 VanDerWaalsContact C-N 3.34Å; G14-L16 PolarHBondContact O-N 3.35Å; L16-Q19 PolarHBondContact O-N 3.19Å; L16-L20 HydrophobicContact CD2-CD1 4.27Å; L16-L20 WeakPolarHBondContact O-CD1 3.5Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.41Å
17L87.8Confident82.4Confident91 Ų91100.5 Ų100.548%0.47653%0.531SS..Hα-helixtrans-64-44.5176.9-69.6173.2000111.4K13 G14 Q19 L20 E21K13-L17 HydrophobicContact CG-CD1 4.38Å; K13-L17 WeakPolarHBondContact O-CG 3.47Å; K13-L17 PolarHBondContact O-N 3.02Å; G14-L17 PolarHBondContact O-N 2.97Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 3.02Å; L17-L20 WeakPolarHBondContact O-CB 3.49Å; L17-L20 PolarHBondContact O-N 3.43Å; L17-E21 WeakPolarHBondContact O-CG 3.4Å; L17-E21 PolarHBondContact O-N 3.44Å
18L86.4Confident83.8Confident107 Ų10793.9 Ų93.956%0.5650%0.5SS*.Hα-helixtrans-60.8-41175.5-17568.6000112G14 E21 V22G14-L18 WeakPolarHBondContact O-CB 3.31Å; G14-L18 PolarHBondContact O-N 3.01Å; L18-E21 PolarHBondContact O-N 3.46Å; L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 3.26Å
19Q89.1Confident84.9Confident121 Ų12192.7 Ų92.757%0.56549%0.488SS*.Hα-helixtrans-64.8-39.7176-75.7177.7-26.200112.4R15 L16 L17 A23R15-Q19 VanDerWaalsContact O-CG 3.31Å; R15-Q19 WeakPolarHBondContact O-CG 3.36Å; R15-Q19 PolarHBondContact O-N 3.04Å; L16-Q19 PolarHBondContact O-N 3.19Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 3.02Å; Q19-A23 VanDerWaalsContact O-CB 3.25Å; Q19-A23 WeakPolarHBondContact O-CB 3.42Å; Q19-A23 PolarHBondContact O-N 2.95Å
20L89.3Confident86.1Confident105 Ų10589.4 Ų89.455%0.5548%0.48SS..Hα-helixtrans-64.7-43.6175.7-80157.3000111.6L16 L17 A23 W24L16-L20 HydrophobicContact CD2-CD1 4.27Å; L16-L20 WeakPolarHBondContact O-CD1 3.5Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.41Å; L17-L20 WeakPolarHBondContact O-CB 3.49Å; L17-L20 PolarHBondContact O-N 3.43Å; L20-A23 PolarHBondContact O-N 2.95Å; L20-W24 VanDerWaalsContact O-CB 3.27Å; L20-W24 WeakPolarHBondContact O-CB 3.28Å; L20-W24 PolarHBondContact O-N 2.92Å
21E86.6Confident87.1Confident128 Ų12888.9 Ų88.960%0.59847%0.471SS*.Hα-helixtrans-63.6-44177.4-73.7-179.5176.100112.2L17 L18 W24 A25L17-E21 WeakPolarHBondContact O-CG 3.4Å; L17-E21 PolarHBondContact O-N 3.44Å; L18-E21 PolarHBondContact O-N 3.46Å; E21-W24 PolarHBondContact O-N 2.92Å; E21-A25 WeakPolarHBondContact O-CB 3.37Å; E21-A25 PolarHBondContact O-N 2.89Å
22V88Confident88.1Confident93 Ų9382 Ų8256%0.56444%0.439SS*.Hα-helixtrans-65.4-42.9176.7172.50000111.3L18 A25 A26L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 3.26Å; V22-A25 PolarHBondContact O-N 2.97Å; V22-A26 WeakPolarHBondContact O-CB 3.19Å; V22-A26 PolarHBondContact O-N 3.41Å
23A91.4Very high88.5Confident59 Ų5980.4 Ų80.449%0.48843%0.431SS..Hα-helixtrans-64.5-41.617800000111.8Q19 L20 A27Q19-A23 VanDerWaalsContact O-CB 3.25Å; Q19-A23 WeakPolarHBondContact O-CB 3.42Å; Q19-A23 PolarHBondContact O-N 2.95Å; L20-A23 PolarHBondContact O-N 2.95Å; A23-A27 WeakPolarHBondContact O-CB 3.27Å; A23-A27 PolarHBondContact O-N 3.41Å
24W88.1Confident89Confident128 Ų12878.5 Ų78.549%0.48543%0.427SS..Hα-helixtrans-59.4-51.7173.3156-100.7000111.6L20 E21 A26 A27 C28L20-W24 VanDerWaalsContact O-CB 3.27Å; L20-W24 WeakPolarHBondContact O-CB 3.28Å; L20-W24 PolarHBondContact O-N 2.92Å; E21-W24 PolarHBondContact O-N 2.92Å; W24-A26 VanDerWaalsContact C-N 3.34Å; W24-A26 PolarHBondContact O-N 3.33Å; W24-A27 WeakPolarHBondContact O-CB 3.41Å; W24-A27 PolarHBondContact O-N 3.31Å; W24-A27 VanDerWaalsContact O-N 3.14Å; W24-C28 VanDerWaalsContact CE2-SG 3.59Å; W24-C28 WeakPolarHBondContact CZ2-SG 3.3Å; W24-C28 PolarHBondContact O-N 2.96Å; W24-C28 PolarHBondContact O-SG 3.31Å
25A87.8Confident89.6Confident23 Ų2380 Ų8019%0.1943%0.425CS..Hα-helixtrans-58.8-48.7-179.800000110.5E21 V22 A27 C28 Y29E21-A25 WeakPolarHBondContact O-CB 3.37Å; E21-A25 PolarHBondContact O-N 2.89Å; V22-A25 PolarHBondContact O-N 2.97Å; A25-A27 VanDerWaalsContact C-N 3.3Å; A25-A27 PolarHBondContact O-N 3.14Å; A25-C28 WeakPolarHBondContact O-CB 3.45Å; A25-C28 PolarHBondContact O-N 3.41Å; A25-C28 VanDerWaalsContact O-N 3.08Å; A25-Y29 WeakPolarHBondContact O-CD2 3.44Å; A25-Y29 PolarHBondContact O-N 3.08Å
26A91.1Very high89.7Confident50 Ų5072.4 Ų72.441%0.41340%0.396SS..Hα-helixtrans-56.7-42.9176.600000112.4V22 W24 C28 Y29 V30V22-A26 WeakPolarHBondContact O-CB 3.19Å; V22-A26 PolarHBondContact O-N 3.41Å; W24-A26 VanDerWaalsContact C-N 3.34Å; W24-A26 PolarHBondContact O-N 3.33Å; A26-C28 VanDerWaalsContact C-N 3.33Å; A26-C28 PolarHBondContact O-N 3.05Å; A26-Y29 PolarHBondContact O-N 2.87Å; A26-V30 VanDerWaalsContact O-CG2 3.3Å; A26-V30 WeakPolarHBondContact O-CG2 3.27Å; A26-V30 PolarHBondContact O-N 3.41Å
27A92.8Very high89.5Confident59 Ų5969.2 Ų69.249%0.48838%0.382SS..Hα-helixtrans-61.2-40.1176.400000112.1A23 W24 A25 V30 A31A23-A27 WeakPolarHBondContact O-CB 3.27Å; A23-A27 PolarHBondContact O-N 3.41Å; W24-A27 WeakPolarHBondContact O-CB 3.41Å; W24-A27 PolarHBondContact O-N 3.31Å; W24-A27 VanDerWaalsContact O-N 3.14Å; A25-A27 VanDerWaalsContact C-N 3.3Å; A25-A27 PolarHBondContact O-N 3.14Å; A27-V30 PolarHBondContact O-N 2.98Å; A27-A31 VanDerWaalsContact O-CB 3.28Å; A27-A31 WeakPolarHBondContact O-CB 3.29Å; A27-A31 PolarHBondContact O-N 3.01Å
28C91.7Very high89.5Confident6 Ų670.7 Ų70.74%0.04139%0.39CS..Hα-helixtrans-63.5-45.8175.5-69.50000112.7W24 A25 A26 V30 A31 L32 M128 F143W24-C28 VanDerWaalsContact CE2-SG 3.59Å; W24-C28 WeakPolarHBondContact CZ2-SG 3.3Å; W24-C28 PolarHBondContact O-N 2.96Å; W24-C28 PolarHBondContact O-SG 3.31Å; A25-C28 WeakPolarHBondContact O-CB 3.45Å; A25-C28 PolarHBondContact O-N 3.41Å; A25-C28 VanDerWaalsContact O-N 3.08Å; A26-C28 VanDerWaalsContact C-N 3.33Å; A26-C28 PolarHBondContact O-N 3.05Å; C28-V30 PolarHBondContact O-N 3.33Å; C28-A31 PolarHBondContact O-N 3.46Å; C28-L32 WeakPolarHBondContact O-CG 3.47Å; C28-L32 PolarHBondContact O-N 3.47Å; C28-M128 HydrophobicContact CB-CE 3.71Å; C28-M128 HydrophobicContact CB-SD 4.31Å; C28-F143 HydrophobicContact CB-CD2 3.78Å; C28-F143 HydrophobicContact CB-CE2 4.04Å
29Y91.4Very high89.4Confident55 Ų5568.7 Ų68.722%0.21638%0.384CS..Hα-helixtrans-62.5-42.7177.1-78.9-81.7000111.7A25 A26 L32 F33 C125 M128 Y129 E132A25-Y29 WeakPolarHBondContact O-CD2 3.44Å; A25-Y29 PolarHBondContact O-N 3.08Å; A26-Y29 PolarHBondContact O-N 2.87Å; Y29-L32 PolarHBondContact O-N 3.49Å; Y29-F33 WeakPolarHBondContact O-CB 3.44Å; Y29-F33 PolarHBondContact O-N 3.46Å; Y29-C125 HydrophobicContact CD1-CB 4.03Å; Y29-C125 HydrophobicContact CE1-CB 4.21Å; Y29-C125 WeakPolarHBondContact CE1-O 3.47Å; Y29-M128 HydrophobicContact CE1-CB 4.02Å; Y29-M128 HydrophobicContact CE1-CG 4.15Å; Y29-M128 HydrophobicContact CE1-SD 4.33Å; Y29-M128 HydrophobicContact CE2-SD 4.43Å; Y29-Y129 VanDerWaalsContact OH-CA 3.24Å; Y29-Y129 WeakPolarHBondContact OH-CA 3.28Å; Y29-Y129 PolarHBondContact OH-N 2.97Å; Y29-E132 PolarHBondContact OH-OE2 3.27Å
30V93.3Very high89Confident84 Ų8463.4 Ų63.451%0.50936%0.359SS..Hα-helixtrans-63.5-44.2176.1171.40000110.8A26 A27 C28 L32 F33 L34A26-V30 VanDerWaalsContact O-CG2 3.3Å; A26-V30 WeakPolarHBondContact O-CG2 3.27Å; A26-V30 PolarHBondContact O-N 3.41Å; A27-V30 PolarHBondContact O-N 2.98Å; C28-V30 PolarHBondContact O-N 3.33Å; V30-L32 PolarHBondContact O-N 2.95Å; V30-F33 PolarHBondContact O-N 3.43Å; V30-L34 HydrophobicContact CG1-CD1 3.84Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CB 3.46Å; V30-L34 VanDerWaalsContact O-CG 3.29Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.5Å
31A92.7Very high88.7Confident36 Ų3660.7 Ų60.730%0.29835%0.349SS..Hα-helixtrans-60.5-44.8177.500000111.8A27 C28 L34 L35A27-A31 VanDerWaalsContact O-CB 3.28Å; A27-A31 WeakPolarHBondContact O-CB 3.29Å; A27-A31 PolarHBondContact O-N 3.01Å; C28-A31 PolarHBondContact O-N 3.46Å; A31-L34 PolarHBondContact O-N 2.92Å; A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 VanDerWaalsContact O-CG 3.27Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 3.43Å
32L90.8Very high88.5Confident0 Ų061 Ų610%036%0.355CS..Hα-helixtrans-61.8-45.8176-75.2178.3000112.1C28 Y29 V30 L34 L35 C36 T124 M128 F143 A146 L147C28-L32 WeakPolarHBondContact O-CG 3.47Å; C28-L32 PolarHBondContact O-N 3.47Å; Y29-L32 PolarHBondContact O-N 3.49Å; V30-L32 PolarHBondContact O-N 2.95Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.89Å; L32-L35 PolarHBondContact O-N 3.25Å; L32-C36 WeakPolarHBondContact O-CB 3.5Å; L32-C36 PolarHBondContact O-N 3.29Å; L32-T124 HydrophobicContact CB-CG2 4.39Å; L32-T124 HydrophobicContact CD1-CG2 4.35Å; L32-M128 HydrophobicContact CD1-CB 4.09Å; L32-M128 HydrophobicContact CD1-CG 4.27Å; L32-M128 HydrophobicContact CD1-SD 3.29Å; L32-M128 WeakPolarHBondContact CD1-SD 3.24Å; L32-M128 HydrophobicContact CG-SD 4.45Å; L32-F143 HydrophobicContact CD1-CD2 4.24Å; L32-F143 HydrophobicContact CD1-CE2 4.39Å; L32-F143 HydrophobicContact CD2-CD2 4.34Å; L32-F143 HydrophobicContact CD2-CE2 3.93Å; L32-F143 HydrophobicContact CD2-CZ 4.48Å; L32-F143 HydrophobicContact CG-CD2 4.13Å; L32-F143 HydrophobicContact CG-CE2 3.79Å; L32-A146 HydrophobicContact CD1-CB 3.76Å; L32-L147 HydrophobicContact CD2-CB 3.81Å; L32-L147 HydrophobicContact CD2-CD1 3.94Å
33F89.5Confident88Confident99 Ų9957.4 Ų57.443%0.43433%0.334SS..Hα-helixtrans-59.8-45.7179-179.4-91.3000111.7Y29 V30 S37 C121Y29-F33 WeakPolarHBondContact O-CB 3.44Å; Y29-F33 PolarHBondContact O-N 3.46Å; V30-F33 PolarHBondContact O-N 3.43Å; F33-S37 VanDerWaalsContact O-CB 3.3Å; F33-S37 WeakPolarHBondContact O-CB 3.29Å; F33-S37 PolarHBondContact O-N 3.32Å; F33-S37 PolarHBondContact O-OG 3.4Å; F33-C121 HydrophobicContact CD2-CB 3.74Å; F33-C121 HydrophobicContact CE2-CB 3.8Å
34L91.1Very high87.4Confident105 Ų10556.6 Ų56.655%0.5532%0.321SS..Hα-helixtrans-67.2-45.6179.7-69.2175.7000112.1V30 A31 L32 S37 L38V30-L34 HydrophobicContact CG1-CD1 3.84Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CB 3.46Å; V30-L34 VanDerWaalsContact O-CG 3.29Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.5Å; A31-L34 PolarHBondContact O-N 2.92Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.89Å; L34-S37 PolarHBondContact O-N 3.41Å; L34-L38 VanDerWaalsContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.28Å; L34-L38 PolarHBondContact O-N 3.46Å
35L89.9Confident87Confident73 Ų7359.9 Ų59.938%0.38234%0.335SS..Hα-helixtrans-63.7-45178.5-73.9170.1000111.3A31 L32 L38 C39 L147A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 VanDerWaalsContact O-CG 3.27Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 3.43Å; L32-L35 PolarHBondContact O-N 3.25Å; L35-L38 PolarHBondContact O-N 3.34Å; L35-C39 WeakPolarHBondContact O-CB 3.41Å; L35-C39 PolarHBondContact O-N 3.23Å; L35-C39 PolarHBondContact O-SG 3.43Å; L35-L147 HydrophobicContact CD1-CD1 3.74Å
36C85.9Confident86.5Confident0 Ų060.2 Ų60.20%034%0.341CS..Hα-helixtrans-58.1-52.6175-175.50000110.8L32 L38 C39 Y40 H120 A150L32-C36 WeakPolarHBondContact O-CB 3.5Å; L32-C36 PolarHBondContact O-N 3.29Å; C36-L38 VanDerWaalsContact C-N 3.28Å; C36-L38 PolarHBondContact O-N 2.93Å; C36-C39 PolarHBondContact O-N 3.29Å; C36-Y40 VanDerWaalsContact O-CD2 3.23Å; C36-Y40 WeakPolarHBondContact O-CD2 3.48Å; C36-Y40 PolarHBondContact O-N 3.21Å; C36-H120 PolarHBondContact SG-CD2 2.92Å; C36-A150 HydrophobicContact CB-CB 4.28Å
37S85.2Confident86.1Confident32 Ų3265.2 Ų65.222%0.22436%0.356CS..Hα-helixtrans-58.8-38.8178.8-60.40000112.6F33 L34 Y40 S41F33-S37 VanDerWaalsContact O-CB 3.3Å; F33-S37 WeakPolarHBondContact O-CB 3.29Å; F33-S37 PolarHBondContact O-N 3.32Å; F33-S37 PolarHBondContact O-OG 3.4Å; L34-S37 PolarHBondContact O-N 3.41Å; S37-Y40 CarbonylContact O-C 3.6Å; S37-S41 WeakPolarHBondContact O-CA 3.26Å; S37-S41 WeakPolarHBondContact O-CB 3.25Å; S37-S41 PolarHBondContact O-N 3Å
38L88Confident85.5Confident121 Ų12163.3 Ų63.363%0.63434%0.337SS*.Hα-helixtrans-69.9-41.7178.6-175.365.8000112.2L34 L35 C36 Y40 S41L34-L38 VanDerWaalsContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.28Å; L34-L38 PolarHBondContact O-N 3.46Å; L35-L38 PolarHBondContact O-N 3.34Å; C36-L38 VanDerWaalsContact C-N 3.28Å; C36-L38 PolarHBondContact O-N 2.93Å; L38-Y40 PolarHBondContact O-N 3.43Å; L38-S41 PolarHBondContact O-N 3.1Å; L38-S41 PolarHBondContact O-OG 3.31Å; L38-S41 VanDerWaalsContact O-OG 3.07Å
39C83.3Confident84.8Confident66 Ų6666.1 Ų66.145%0.44635%0.354SS..Hα-helixtrans-61.1-34.2177.6-74.70000112.2L35 C36L35-C39 WeakPolarHBondContact O-CB 3.41Å; L35-C39 PolarHBondContact O-N 3.23Å; L35-C39 PolarHBondContact O-SG 3.43Å; C36-C39 PolarHBondContact O-N 3.29Å
40Y80.6Confident84.3Confident9 Ų970.5 Ų70.54%0.03538%0.376CS..THydrogen-bonded Turntrans-104.87.1-179-60.8-76.4000114C36 S37 L38 N42 S43 H120 A150 V159C36-Y40 VanDerWaalsContact O-CD2 3.23Å; C36-Y40 WeakPolarHBondContact O-CD2 3.48Å; C36-Y40 PolarHBondContact O-N 3.21Å; S37-Y40 CarbonylContact O-C 3.6Å; L38-Y40 PolarHBondContact O-N 3.43Å; Y40-N42 PolarHBondContact O-N 2.79Å; Y40-S43 PolarHBondContact O-N 2.92Å; Y40-S43 PolarHBondContact O-OG 2.93Å; Y40-H120 AromaticContact CD2-CD2 3.74Å; Y40-H120 AromaticContact CE2-CD2 3.21Å; Y40-H120 WeakPolarHBondContact CE2-CD2 3.26Å; Y40-H120 AromaticContact CE2-NE2 3.34Å; Y40-H120 VanDerWaalsContact CE2-NE2 3.34Å; Y40-H120 WeakPolarHBondContact CE2-NE2 3.49Å; Y40-H120 AromaticContact CZ-CD2 3.85Å; Y40-H120 AromaticContact CZ-NE2 3.75Å; Y40-A150 WeakPolarHBondContact CE2-O 3.38Å; Y40-A150 PolarHBondContact OH-O 3.04Å; Y40-V159 HydrophobicContact CD1-CB 3.95Å; Y40-V159 HydrophobicContact CD1-CG1 3.24Å; Y40-V159 HydrophobicContact CD2-CG1 4.32Å; Y40-V159 HydrophobicContact CE1-CB 3.67Å; Y40-V159 HydrophobicContact CE1-CG1 3.51Å; Y40-V159 HydrophobicContact CE1-CG2 4.15Å; Y40-V159 HydrophobicContact CG-CG1 3.69Å
41S82.9Confident83.6Confident49 Ų4969.8 Ų69.834%0.34337%0.369SS..G310 helixtrans-63.6-28.9178.966.90000112.3S37 L38 S43 L44S37-S41 WeakPolarHBondContact O-CA 3.26Å; S37-S41 WeakPolarHBondContact O-CB 3.25Å; S37-S41 PolarHBondContact O-N 3Å; L38-S41 PolarHBondContact O-N 3.1Å; L38-S41 PolarHBondContact O-OG 3.31Å; L38-S41 VanDerWaalsContact O-OG 3.07Å; S41-S43 VanDerWaalsContact C-N 3.33Å; S41-L44 WeakPolarHBondContact O-CB 3.49Å; S41-L44 WeakPolarHBondContact O-CG 3.4Å; S41-L44 PolarHBondContact O-N 3.27Å
42N82.6Confident83Confident133 Ų13368.1 Ų68.171%0.71136%0.355SS*.G310 helixtrans-69.9-30176.9-165.219.2000112.3Y40 L44 Y45Y40-N42 PolarHBondContact O-N 2.79Å; N42-L44 PolarHBondContact O-N 3.2Å; N42-Y45 PolarHBondContact O-N 3.22Å
43S78.9Confident82.7Confident19 Ų1970.3 Ų70.313%0.13337%0.368CS..G310 helixtrans-70.4-18.5179.772.40000112.8Y40 S41 Y45 G46 H113Y40-S43 PolarHBondContact O-N 2.92Å; Y40-S43 PolarHBondContact O-OG 2.93Å; S41-S43 VanDerWaalsContact C-N 3.33Å; S43-Y45 PolarHBondContact O-N 2.88Å; S43-G46 PolarHBondContact O-N 2.79Å; S43-H113 PolarHBondContact O-CD2 3.28Å; S43-H113 VanDerWaalsContact O-CG 3.3Å
44L77.6Confident82.4Confident42 Ų4273 Ų7322%0.2238%0.376CS..G310 helixtrans-60.8-26.7177.6-61.5179.2000113.3S41 N42 L110 H113 I114 V117S41-L44 WeakPolarHBondContact O-CB 3.49Å; S41-L44 WeakPolarHBondContact O-CG 3.4Å; S41-L44 PolarHBondContact O-N 3.27Å; N42-L44 PolarHBondContact O-N 3.2Å; L44-L110 HydrophobicContact CB-CD1 4.03Å; L44-L110 VanDerWaalsContact O-CD1 3.25Å; L44-L110 WeakPolarHBondContact O-CD1 3.25Å; L44-H113 HydrophobicContact CD2-CB 3.99Å; L44-I114 HydrophobicContact CD2-CG1 3.88Å; L44-V117 HydrophobicContact CD2-CG2 4.14Å
45Y79.5Confident82.1Confident197 Ų19768 Ų6877%0.77335%0.35SS*.G310 helixtrans-987.3179.3-56.3-79.1000112.8N42 S43N42-Y45 PolarHBondContact O-N 3.22Å; S43-Y45 PolarHBondContact O-N 2.88Å
46G78.9Confident81.9Confident30 Ų3064.5 Ų64.531%0.30933%0.331SS..PPolyproline II helixtrans-70.6154174.900000112.7S43 H113S43-G46 PolarHBondContact O-N 2.79Å; G46-H113 PolarHBondContact O-NE2 2.83Å
47E81.6Confident82Confident155 Ų15566.9 Ų66.972%0.72435%0.346SS*.PPolyproline II helixtrans-93160.7167.9-63.5-169.4164.300110.6V49E47-V49 PolarHBondContact O-N 3.28Å
48L79.9Confident82.1Confident19 Ų1969.2 Ų69.210%0.09936%0.356CS..PPolyproline II helixtrans-67.9117.8170.1-61.8174.6000108.5D52 V53 I56 V57 P109 V162L48-D52 HydrophobicContact CB-CB 3.93Å; L48-D52 HydrophobicContact CD2-CB 4.04Å; L48-V53 VanDerWaalsContact O-CG2 3.27Å; L48-V53 WeakPolarHBondContact O-CG2 3.1Å; L48-I56 HydrophobicContact CD1-CB 4.37Å; L48-I56 HydrophobicContact CD1-CG2 3.99Å; L48-I56 HydrophobicContact CD2-CD1 4.23Å; L48-V57 HydrophobicContact CD1-CG2 3.79Å; L48-P109 HydrophobicContact CD1-CG 4.47Å; L48-P109 HydrophobicContact CD2-CB 4.37Å; L48-P109 HydrophobicContact CG-CB 4.08Å; L48-P109 HydrophobicContact CG-CG 4.04Å; L48-V162 HydrophobicContact CD2-CG2 3.86Å
49V78.1Confident82.3Confident64 Ų6463.4 Ų63.439%0.38833%0.326SS..  trans-122.6161.3-176.2-68.80000111.5E47 D51 D52E47-V49 PolarHBondContact O-N 3.28Å; V49-D51 PolarHBondContact O-N 3.45Å; V49-D52 WeakPolarHBondContact O-CB 3.3Å; V49-D52 PolarHBondContact O-N 2.97Å; V49-D52 VanDerWaalsContact O-N 3.08Å
50H81.1Confident82.7Confident148 Ų14863.7 Ų63.769%0.68533%0.326SS*.THydrogen-bonded Turntrans54.3-118175.9-56.4-66000113.3D52 V53H50-D52 VanDerWaalsContact C-N 3.28Å; H50-D52 PolarHBondContact O-N 3.27Å; H50-V53 PolarHBondContact O-N 3.35Å
51D77.7Confident83.2Confident68 Ų6863.4 Ų63.436%0.36433%0.326SS..Hα-helixtrans-68.1-28.7-176.7-76.8-2.3000111.9V49 V53 W54 A55 W77 Q163V49-D51 PolarHBondContact O-N 3.45Å; D51-V53 PolarHBondContact O-N 3.32Å; D51-W54 PolarHBondContact O-N 2.91Å; D51-A55 WeakPolarHBondContact O-CB 3.29Å; D51-A55 PolarHBondContact O-N 2.83Å; D51-W77 HydrophobicContact CB-CH2 3.66Å; D51-W77 HydrophobicContact CB-CZ3 4.24Å; D51-W77 VanDerWaalsContact O-CZ3 3.29Å; D51-W77 WeakPolarHBondContact O-CZ3 3.48Å; D51-Q163 HydrophobicContact CB-CG 4.32Å; D51-Q163 VanDerWaalsContact CB-OE1 3.26Å; D51-Q163 PolarHBondContact OD2-NE2 3.02Å
52D80.4Confident83.6Confident1 Ų161.1 Ų61.11%0.00531%0.309CS..Hα-helixtrans-61.4-35.7-178.6-57.7-21.6000111.2L48 V49 H50 W54 A55 I56 V162 Q163L48-D52 HydrophobicContact CB-CB 3.93Å; L48-D52 HydrophobicContact CD2-CB 4.04Å; V49-D52 WeakPolarHBondContact O-CB 3.3Å; V49-D52 PolarHBondContact O-N 2.97Å; V49-D52 VanDerWaalsContact O-N 3.08Å; H50-D52 VanDerWaalsContact C-N 3.28Å; H50-D52 PolarHBondContact O-N 3.27Å; D52-W54 VanDerWaalsContact C-N 3.32Å; D52-W54 PolarHBondContact O-N 3.28Å; D52-A55 PolarHBondContact O-N 3.46Å; D52-I56 VanDerWaalsContact O-CB 3.25Å; D52-I56 WeakPolarHBondContact O-CB 3.11Å; D52-I56 PolarHBondContact O-N 3.39Å; D52-V162 HydrophobicContact CB-CB 4.32Å; D52-V162 VanDerWaalsContact CG-CB 3.48Å; D52-V162 VanDerWaalsContact CG-N 3.26Å; D52-V162 VanDerWaalsContact OD1-CA 3.23Å; D52-V162 WeakPolarHBondContact OD1-CA 3.23Å; D52-V162 WeakPolarHBondContact OD1-CB 3.33Å; D52-V162 PolarHBondContact OD1-N 3.21Å; D52-V162 WeakPolarHBondContact OD2-CB 3.47Å; D52-V162 PolarHBondContact OD2-N 3.47Å; D52-Q163 PolarHBondContact OD1-N 3.07Å
53V83.2Confident84Confident46 Ų4658.9 Ų58.928%0.27929%0.291SS..Iπ-helixtrans-60.8-43.8176.3-178.40000110.4L48 H50 D51 V57 N58L48-V53 VanDerWaalsContact O-CG2 3.27Å; L48-V53 WeakPolarHBondContact O-CG2 3.1Å; H50-V53 PolarHBondContact O-N 3.35Å; D51-V53 PolarHBondContact O-N 3.32Å; V53-V57 HydrophobicContact CG1-CB 4.17Å; V53-V57 CarbonylContact O-C 3.47Å; V53-V57 VanDerWaalsContact O-CA 3.26Å; V53-V57 WeakPolarHBondContact O-CA 3.46Å; V53-V57 WeakPolarHBondContact O-CB 3.27Å; V53-V57 PolarHBondContact O-N 2.9Å; V53-N58 PolarHBondContact O-N 3.45Å
54W84.7Confident84.3Confident155 Ų15562.1 Ų62.159%0.58731%0.311SS*.Iπ-helixtrans-75.7-39-179.4-73101.8000112.6D51 D52 N58 N59 W77D51-W54 PolarHBondContact O-N 2.91Å; D52-W54 VanDerWaalsContact C-N 3.32Å; D52-W54 PolarHBondContact O-N 3.28Å; W54-N58 HydrophobicContact CD2-CB 4.49Å; W54-N58 HydrophobicContact CE3-CB 3.72Å; W54-N58 HydrophobicContact CZ3-CB 4.11Å; W54-N59 PolarHBondContact O-N 3.37Å; W54-W77 HydrophobicContact CB-CD2 4.37Å; W54-W77 HydrophobicContact CB-CE3 3.4Å; W54-W77 VanDerWaalsContact CB-CE3 3.4Å; W54-W77 HydrophobicContact CB-CH2 4.34Å; W54-W77 HydrophobicContact CB-CZ3 3.39Å
55A84.6Confident84.8Confident0 Ų064.1 Ų64.10%034%0.343CS..Iπ-helixtrans-76.2-29.2-176.300000113.4D51 D52 N59 F76 W77 F98D51-A55 WeakPolarHBondContact O-CB 3.29Å; D51-A55 PolarHBondContact O-N 2.83Å; D52-A55 PolarHBondContact O-N 3.46Å; A55-N59 WeakPolarHBondContact O-CB 3.4Å; A55-N59 PolarHBondContact O-ND2 2.87Å; A55-F76 HydrophobicContact CB-CD1 4.32Å; A55-F76 HydrophobicContact CB-CE1 3.52Å; A55-F76 HydrophobicContact CB-CE2 4.33Å; A55-F76 HydrophobicContact CB-CZ 3.54Å; A55-W77 HydrophobicContact CB-CE3 4.11Å; A55-W77 HydrophobicContact CB-CZ3 3.79Å; A55-F98 HydrophobicContact CB-CE2 4.02Å
56I85.9Confident85.2Confident0 Ų056.2 Ų56.20%032%0.316CS..Iπ-helixtrans-116.5-51.8-173.3-61.8167.5000110.8L48 D52 V62 R63 F98 I102 M107 F112 V162L48-I56 HydrophobicContact CD1-CB 4.37Å; L48-I56 HydrophobicContact CD1-CG2 3.99Å; L48-I56 HydrophobicContact CD2-CD1 4.23Å; D52-I56 VanDerWaalsContact O-CB 3.25Å; D52-I56 WeakPolarHBondContact O-CB 3.11Å; D52-I56 PolarHBondContact O-N 3.39Å; I56-V62 VanDerWaalsContact O-CG2 3.32Å; I56-V62 WeakPolarHBondContact O-CG2 3.46Å; I56-R63 PolarHBondContact O-NH1 3.33Å; I56-R63 VanDerWaalsContact O-NH1 3.08Å; I56-F98 HydrophobicContact CD1-CD1 4.17Å; I56-F98 HydrophobicContact CD1-CD2 4.36Å; I56-F98 HydrophobicContact CD1-CE1 4.18Å; I56-F98 HydrophobicContact CD1-CE2 4.37Å; I56-F98 HydrophobicContact CD1-CG 4.27Å; I56-F98 HydrophobicContact CD1-CZ 4.28Å; I56-F98 HydrophobicContact CG1-CB 4.35Å; I56-F98 HydrophobicContact CG1-CD1 4.28Å; I56-F98 HydrophobicContact CG1-CD2 3.71Å; I56-F98 HydrophobicContact CG1-CE2 4.01Å; I56-F98 HydrophobicContact CG1-CG 3.87Å; I56-F98 HydrophobicContact CG1-CZ 4.42Å; I56-I102 HydrophobicContact CG2-CD1 4.31Å; I56-M107 HydrophobicContact CG2-CE 3.69Å; I56-M107 HydrophobicContact CG2-SD 4.29Å; I56-F112 HydrophobicContact CD1-CD1 4.14Å; I56-F112 HydrophobicContact CD1-CE1 3.97Å; I56-F112 HydrophobicContact CD1-CZ 4.38Å; I56-F112 HydrophobicContact CG2-CE1 4.33Å; I56-F112 HydrophobicContact CG2-CE2 4.23Å; I56-F112 HydrophobicContact CG2-CZ 3.76Å; I56-V162 HydrophobicContact CD1-CB 4.14Å; I56-V162 HydrophobicContact CD1-CG1 3.68Å
57V87.1Confident85.8Confident51 Ų5157.7 Ų57.731%0.30932%0.322SS..Iπ-helixtrans-77.7-38.1-175.2-174.10000111.9L48 V53 R63 M107L48-V57 HydrophobicContact CD1-CG2 3.79Å; V53-V57 HydrophobicContact CG1-CB 4.17Å; V53-V57 CarbonylContact O-C 3.47Å; V53-V57 VanDerWaalsContact O-CA 3.26Å; V53-V57 WeakPolarHBondContact O-CA 3.46Å; V53-V57 WeakPolarHBondContact O-CB 3.27Å; V53-V57 PolarHBondContact O-N 2.9Å; V57-R63 PolarHBondContact O-NH2 2.85Å; V57-M107 HydrophobicContact CG2-CE 4.2Å
58N88.6Confident86.3Confident80 Ų8054.8 Ų54.843%0.42831%0.311SS..SBendtrans-101.4-4.1-177.3-63.9-25.1000114.1V53 W54 P60V53-N58 PolarHBondContact O-N 3.45Å; W54-N58 HydrophobicContact CD2-CB 4.49Å; W54-N58 HydrophobicContact CE3-CB 3.72Å; W54-N58 HydrophobicContact CZ3-CB 4.11Å; N58-P60 WeakPolarHBondContact O-CD 3.41Å
59N91.3Very high86.8Confident0 Ų061.1 Ų61.10%033%0.333CS..  trans-83.1119.1-176.5-169.7-24.3000111.5W54 A55 D61 V62 F76 G78W54-N59 PolarHBondContact O-N 3.37Å; A55-N59 WeakPolarHBondContact O-CB 3.4Å; A55-N59 PolarHBondContact O-ND2 2.87Å; N59-D61 VanDerWaalsContact C-N 3.29Å; N59-D61 PolarHBondContact O-N 2.88Å; N59-D61 VanDerWaalsContact OD1-CB 3.3Å; N59-D61 WeakPolarHBondContact OD1-CB 3.42Å; N59-D61 PolarHBondContact OD1-N 3.42Å; N59-V62 HydrophobicContact CB-CG1 4.34Å; N59-V62 HydrophobicContact CB-CG2 4.19Å; N59-V62 WeakPolarHBondContact O-CG2 2.94Å; N59-F76 PolarHBondContact ND2-O 2.81Å; N59-G78 WeakPolarHBondContact OD1-CA 3.43Å
60P91.2Very high87.4Confident71 Ų7161 Ų6146%0.46133%0.33SS..G310 helixtrans-68.8-24.4176.727.7-34.8000113.5N58 V62 R63 S66N58-P60 WeakPolarHBondContact O-CD 3.41Å; P60-V62 VanDerWaalsContact C-N 3.31Å; P60-V62 PolarHBondContact O-N 2.76Å; P60-R63 WeakPolarHBondContact O-CB 3.29Å; P60-R63 PolarHBondContact O-N 2.96Å; P60-S66 WeakPolarHBondContact O-CB 3.37Å; P60-S66 PolarHBondContact O-OG 3.39Å; P60-S66 VanDerWaalsContact O-OG 3.13Å
61D91.6Very high87.8Confident4 Ų454.1 Ų54.12%0.02130%0.299CS..G310 helixtrans-73.8-23.1-174.7-66.7-31000113.2N59 R63 S66 N70 I71 N74 G78 I95 K99N59-D61 VanDerWaalsContact C-N 3.29Å; N59-D61 PolarHBondContact O-N 2.88Å; N59-D61 VanDerWaalsContact OD1-CB 3.3Å; N59-D61 WeakPolarHBondContact OD1-CB 3.42Å; N59-D61 PolarHBondContact OD1-N 3.42Å; D61-R63 VanDerWaalsContact C-N 3.33Å; D61-S66 VanDerWaalsContact C-OG 3.31Å; D61-S66 PolarHBondContact O-OG 2.9Å; D61-N70 WeakPolarHBondContact OD1-CB 3.3Å; D61-I71 HydrophobicContact CB-CG1 4.1Å; D61-N74 VanDerWaalsContact CG-ND2 3.35Å; D61-N74 PolarHBondContact OD1-ND2 3.3Å; D61-N74 VanDerWaalsContact OD1-ND2 3.16Å; D61-N74 VanDerWaalsContact OD2-CB 3.22Å; D61-N74 WeakPolarHBondContact OD2-CB 3.36Å; D61-N74 PolarHBondContact OD2-ND2 3.29Å; D61-G78 WeakPolarHBondContact OD2-CA 3.47Å; D61-I95 HydrophobicContact CB-CG2 4.07Å; D61-K99 PolarHBondContact O-NZ 3.03Å
62V90.5Very high88.5Confident0 Ų055.7 Ų55.70%030%0.302CS..G310 helixtrans-84.8-7.5177.3-52.80000113.2I56 N59 P60 I95 F98 K99 I102I56-V62 VanDerWaalsContact O-CG2 3.32Å; I56-V62 WeakPolarHBondContact O-CG2 3.46Å; N59-V62 HydrophobicContact CB-CG1 4.34Å; N59-V62 HydrophobicContact CB-CG2 4.19Å; N59-V62 WeakPolarHBondContact O-CG2 2.94Å; P60-V62 VanDerWaalsContact C-N 3.31Å; P60-V62 PolarHBondContact O-N 2.76Å; V62-I95 HydrophobicContact CG1-CG2 3.71Å; V62-F98 HydrophobicContact CB-CB 4.42Å; V62-F98 HydrophobicContact CG1-CB 3.84Å; V62-K99 HydrophobicContact CB-CB 4.45Å; V62-I102 HydrophobicContact CB-CD1 3.63Å; V62-I102 HydrophobicContact CG2-CD1 3.46Å; V62-I102 VanDerWaalsContact CG2-CD1 3.46Å; V62-I102 WeakPolarHBondContact O-CD1 3.38Å
63R91.3Very high89Confident87 Ų8761.6 Ų61.633%0.32833%0.325SS..SBendtrans-70.1147.5-178.1-60.8-54.2-164.6-144.27.2113I56 V57 P60 D61 G65 S66 K99 M107I56-R63 PolarHBondContact O-NH1 3.33Å; I56-R63 VanDerWaalsContact O-NH1 3.08Å; V57-R63 PolarHBondContact O-NH2 2.85Å; P60-R63 WeakPolarHBondContact O-CB 3.29Å; P60-R63 PolarHBondContact O-N 2.96Å; D61-R63 VanDerWaalsContact C-N 3.33Å; R63-G65 PolarHBondContact O-N 3.17Å; R63-S66 PolarHBondContact O-N 3.06Å; R63-S66 PolarHBondContact O-OG 3.41Å; R63-K99 PolarHBondContact O-NZ 3.03Å; R63-M107 PolarHBondContact NH1-SD 3.29Å
64P86.4Confident89.4Confident86 Ų8660.1 Ų60.156%0.55832%0.315SS*.THydrogen-bonded Turntrans-55.7133.4167.3-23.433.9000110.6S66 I102 L103P64-S66 PolarHBondContact O-N 3.4Å; P64-I102 HydrophobicContact CG-CG2 4.29Å; P64-L103 HydrophobicContact CB-CD2 4.03Å; P64-L103 HydrophobicContact CG-CD2 4.23Å
65G86.5Confident89.6Confident85 Ų8552.9 Ų52.988%0.87629%0.288SS*.THydrogen-bonded Turntrans86.6-12.2179.200000116.5R63R63-G65 PolarHBondContact O-N 3.17Å
66S89.6Confident89.8Confident30 Ų3053 Ų5321%0.2129%0.288CS..  trans-73.1148.2173.367.60000111.9P60 D61 R63 P64 K99P60-S66 WeakPolarHBondContact O-CB 3.37Å; P60-S66 PolarHBondContact O-OG 3.39Å; P60-S66 VanDerWaalsContact O-OG 3.13Å; D61-S66 VanDerWaalsContact C-OG 3.31Å; D61-S66 PolarHBondContact O-OG 2.9Å; R63-S66 PolarHBondContact O-N 3.06Å; R63-S66 PolarHBondContact O-OG 3.41Å; P64-S66 PolarHBondContact O-N 3.4Å; S66-K99 PolarHBondContact O-NZ 3.5Å; S66-K99 PolarHBondContact OG-NZ 3.36Å
67S91.3Very high89.9Confident62 Ų6255.4 Ų55.443%0.43430%0.298SS..  trans-69.3132.3-174.2-173.80000112.1R69 N70S67-R69 PolarHBondContact O-N 2.89Å; S67-R69 VanDerWaalsContact O-N 3.15Å; S67-R69 PolarHBondContact OG-N 3.22Å; S67-N70 WeakPolarHBondContact O-CB 3.35Å; S67-N70 PolarHBondContact O-N 3.13Å
68L90.6Very high89.9Confident94 Ų9453.7 Ų53.749%0.49229%0.29SS..Hα-helixtrans-58.8-26.8171.9-65.6178.2000112.4N70 I71 F72 L96 K99L68-N70 PolarHBondContact O-N 3.5Å; L68-I71 HydrophobicContact CD2-CD1 3.82Å; L68-I71 WeakPolarHBondContact O-CB 3.41Å; L68-I71 PolarHBondContact O-N 3.29Å; L68-F72 VanDerWaalsContact O-CD2 3.26Å; L68-F72 WeakPolarHBondContact O-CD2 3.47Å; L68-L96 HydrophobicContact CD2-CD1 3.85Å; L68-K99 HydrophobicContact CD2-CD 3.89Å
69R91.1Very high90Very high151 Ų15154 Ų5457%0.5729%0.287SS*.Hα-helixtrans-63.1-29.9177.2-163.4-174-169.8-168.58.1112.3S67 I71 F72 R73S67-R69 PolarHBondContact O-N 2.89Å; S67-R69 VanDerWaalsContact O-N 3.15Å; S67-R69 PolarHBondContact OG-N 3.22Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-F72 PolarHBondContact O-N 3.11Å; R69-R73 WeakPolarHBondContact O-CG 3.38Å
70N90.5Very high89.9Confident62 Ų6262.3 Ų62.333%0.33232%0.319SS..Hα-helixtrans-68.8-36.6-179.8-67.6-6.1000111.2D61 S67 L68 F72 R73 N74D61-N70 WeakPolarHBondContact OD1-CB 3.3Å; S67-N70 WeakPolarHBondContact O-CB 3.35Å; S67-N70 PolarHBondContact O-N 3.13Å; L68-N70 PolarHBondContact O-N 3.5Å; N70-F72 PolarHBondContact O-N 3.19Å; N70-F72 VanDerWaalsContact O-N 3.15Å; N70-R73 PolarHBondContact O-N 3.1Å; N70-N74 WeakPolarHBondContact O-CB 3.46Å; N70-N74 PolarHBondContact O-N 3.48Å
71I90.6Very high89.6Confident3 Ų361.8 Ų61.82%0.01531%0.311CS..Hα-helixtrans-55.9-35.1176.7-60.6174.1000111.9D61 L68 R69 P92 I95 L96 K99D61-I71 HydrophobicContact CB-CG1 4.1Å; L68-I71 HydrophobicContact CD2-CD1 3.82Å; L68-I71 WeakPolarHBondContact O-CB 3.41Å; L68-I71 PolarHBondContact O-N 3.29Å; R69-I71 VanDerWaalsContact C-N 3.34Å; I71-P92 HydrophobicContact CG2-CB 3.92Å; I71-P92 WeakPolarHBondContact CG2-O 3.33Å; I71-P92 WeakPolarHBondContact O-CB 3.32Å; I71-I95 HydrophobicContact CG1-CG2 4.06Å; I71-I95 HydrophobicContact CG2-CB 4.05Å; I71-I95 HydrophobicContact CG2-CG2 4.02Å; I71-L96 HydrophobicContact CD1-CD1 4.11Å; I71-L96 HydrophobicContact CG2-CB 4.48Å; I71-K99 HydrophobicContact CD1-CD 3.8Å
72F91.5Very high89.4Confident101 Ų10165.9 Ų65.944%0.44335%0.345SS..THydrogen-bonded Turntrans-901.9179.1-62.6-81.1000114.1L68 R69 N70 P92L68-F72 VanDerWaalsContact O-CD2 3.26Å; L68-F72 WeakPolarHBondContact O-CD2 3.47Å; R69-F72 PolarHBondContact O-N 3.11Å; N70-F72 PolarHBondContact O-N 3.19Å; N70-F72 VanDerWaalsContact O-N 3.15Å; F72-P92 HydrophobicContact CD1-CB 3.72Å; F72-P92 HydrophobicContact CD1-CG 4.2Å; F72-P92 HydrophobicContact CE1-CB 3.91Å; F72-P92 HydrophobicContact CE1-CG 4.35Å; F72-P92 HydrophobicContact CG-CB 4.43Å
73R90.4Very high89.3Confident125 Ų12569.1 Ų69.147%0.47236%0.363SS..THydrogen-bonded Turntrans-122.6-20.5-176.8-72.5179.6166-157.7-16.3113.5R69 N70 M81R69-R73 WeakPolarHBondContact O-CG 3.38Å; N70-R73 PolarHBondContact O-N 3.1Å; R73-M81 VanDerWaalsContact O-CG 3.32Å; R73-M81 WeakPolarHBondContact O-CG 3.44Å; R73-M81 PolarHBondContact O-N 2.92Å
74N91.4Very high89Confident15 Ų1572.3 Ų72.38%0.0839%0.386CS..BIsolated β-bridgetrans-99160.8179-64.8-12000110.2D61 N70 K79 R80D61-N74 VanDerWaalsContact CG-ND2 3.35Å; D61-N74 PolarHBondContact OD1-ND2 3.3Å; D61-N74 VanDerWaalsContact OD1-ND2 3.16Å; D61-N74 VanDerWaalsContact OD2-CB 3.22Å; D61-N74 WeakPolarHBondContact OD2-CB 3.36Å; D61-N74 PolarHBondContact OD2-ND2 3.29Å; N70-N74 WeakPolarHBondContact O-CB 3.46Å; N70-N74 PolarHBondContact O-N 3.48Å; N74-K79 CarbonylContact C-O 3.41Å; N74-K79 WeakPolarHBondContact CA-O 3.06Å; N74-K79 VanDerWaalsContact CB-O 3.25Å; N74-K79 WeakPolarHBondContact CB-O 3.41Å; N74-R80 WeakPolarHBondContact OD1-CA 3.44Å; N74-R80 WeakPolarHBondContact OD1-CG 3.34Å
75D90.4Very high88.8Confident3 Ų371.9 Ų71.92%0.01638%0.382CS..  trans-74.8177.8168.670.611.3000110.7W77 G78 K79 M81 S86 H87 S89D75-W77 PolarHBondContact O-N 3.42Å; D75-W77 PolarHBondContact OD1-N 3.47Å; D75-G78 PolarHBondContact O-N 2.89Å; D75-G78 PolarHBondContact OD1-N 2.92Å; D75-K79 PolarHBondContact N-O 2.88Å; D75-K79 PolarHBondContact OD1-N 3.35Å; D75-M81 HydrophobicContact CB-SD 3.68Å; D75-S86 WeakPolarHBondContact CB-OG 3.38Å; D75-S86 WeakPolarHBondContact OD2-CA 3.5Å; D75-S86 WeakPolarHBondContact OD2-CB 3.27Å; D75-S86 PolarHBondContact OD2-OG 2.88Å; D75-H87 PolarHBondContact OD2-N 3.32Å; D75-H87 VanDerWaalsContact OD2-N 3.1Å; D75-S89 CarbonylContact C-O 3.37Å; D75-S89 WeakPolarHBondContact CA-O 3.21Å
76F87.5Confident88.8Confident2 Ų268.5 Ų68.51%0.00935%0.345CS..THydrogen-bonded Turntrans-57.1-21.5-178.7-176.9-112.7000113.9A55 N59 S89 R91 C94 I95 F98A55-F76 HydrophobicContact CB-CD1 4.32Å; A55-F76 HydrophobicContact CB-CE1 3.52Å; A55-F76 HydrophobicContact CB-CE2 4.33Å; A55-F76 HydrophobicContact CB-CZ 3.54Å; N59-F76 PolarHBondContact ND2-O 2.81Å; F76-S89 WeakPolarHBondContact CB-OG 3.38Å; F76-S89 PolarHBondContact N-O 3.33Å; F76-R91 HydrophobicContact CB-CB 4.49Å; F76-R91 HydrophobicContact CD2-CB 3.7Å; F76-R91 HydrophobicContact CD2-CG 4.24Å; F76-R91 HydrophobicContact CE2-CB 4.39Å; F76-R91 HydrophobicContact CG-CB 4.44Å; F76-C94 HydrophobicContact CE2-CB 4.13Å; F76-I95 HydrophobicContact CD2-CD1 3.47Å; F76-I95 VanDerWaalsContact CD2-CD1 3.47Å; F76-I95 HydrophobicContact CD2-CG1 3.92Å; F76-I95 HydrophobicContact CE2-CD1 3.61Å; F76-I95 HydrophobicContact CE2-CG1 4.4Å; F76-I95 HydrophobicContact CG-CD1 4.3Å; F76-I95 VanDerWaalsContact O-CD1 3.24Å; F76-I95 WeakPolarHBondContact O-CD1 3.49Å; F76-F98 AromaticContact CE2-CE2 3.95Å; F76-F98 HydrophobicContact CE2-CE2 3.95Å; F76-F98 HydrophobicContact CZ-CE2 4.02Å
77W89.1Confident88.5Confident52 Ų5273.8 Ų73.820%0.19737%0.366CS..THydrogen-bonded Turntrans-99.50.5-176.9-49.9114.4000113D51 W54 A55 D75 H87D51-W77 HydrophobicContact CB-CH2 3.66Å; D51-W77 HydrophobicContact CB-CZ3 4.24Å; D51-W77 VanDerWaalsContact O-CZ3 3.29Å; D51-W77 WeakPolarHBondContact O-CZ3 3.48Å; W54-W77 HydrophobicContact CB-CD2 4.37Å; W54-W77 HydrophobicContact CB-CE3 3.4Å; W54-W77 VanDerWaalsContact CB-CE3 3.4Å; W54-W77 HydrophobicContact CB-CH2 4.34Å; W54-W77 HydrophobicContact CB-CZ3 3.39Å; A55-W77 HydrophobicContact CB-CE3 4.11Å; A55-W77 HydrophobicContact CB-CZ3 3.79Å; D75-W77 PolarHBondContact O-N 3.42Å; D75-W77 PolarHBondContact OD1-N 3.47Å; W77-H87 AromaticContact CD1-CD2 3.83Å; W77-H87 AromaticContact CD1-CG 3.99Å; W77-H87 AromaticContact NE1-CG 3.86Å
78G87.3Confident88.2Confident14 Ų1477.4 Ų77.414%0.14437%0.374CS..SBendtrans85.615.8-179.300000114.3N59 D61 D75N59-G78 WeakPolarHBondContact OD1-CA 3.43Å; D61-G78 WeakPolarHBondContact OD2-CA 3.47Å; D75-G78 PolarHBondContact O-N 2.89Å; D75-G78 PolarHBondContact OD1-N 2.92Å
79K89.7Confident87.9Confident87 Ų8774.4 Ų74.438%0.37836%0.361SS..  trans-93148.4170.7-72.3-172.9-179.9-1740110.8N74 D75 M81 T85N74-K79 CarbonylContact C-O 3.41Å; N74-K79 WeakPolarHBondContact CA-O 3.06Å; N74-K79 VanDerWaalsContact CB-O 3.25Å; N74-K79 WeakPolarHBondContact CB-O 3.41Å; D75-K79 PolarHBondContact N-O 2.88Å; D75-K79 PolarHBondContact OD1-N 3.35Å; K79-M81 PolarHBondContact O-N 3.48Å; K79-T85 WeakPolarHBondContact CD-O 3.33Å; K79-T85 PolarHBondContact NZ-O 3.39Å; K79-T85 PolarHBondContact NZ-OG1 2.94Å
80R88.8Confident87.7Confident175 Ų17572.9 Ų72.966%0.6636%0.356SS*.BIsolated β-bridgetrans-64132.5177.4-66.5176.866.7122.8-2.6110.5N74 A82 D83 S86N74-R80 WeakPolarHBondContact OD1-CA 3.44Å; N74-R80 WeakPolarHBondContact OD1-CG 3.34Å; R80-A82 PolarHBondContact O-N 3.42Å; R80-D83 WeakPolarHBondContact O-CB 3.14Å; R80-D83 PolarHBondContact O-N 2.92Å; R80-S86 WeakPolarHBondContact O-CB 3.43Å
81M86.5Confident87.7Confident59 Ų5974.8 Ų74.829%0.29136%0.358SS..THydrogen-bonded Turntrans-58-22.6179.7-72.7-71.6-69.100114.4R73 D75 K79 D83 K88 Y90R73-M81 VanDerWaalsContact O-CG 3.32Å; R73-M81 WeakPolarHBondContact O-CG 3.44Å; R73-M81 PolarHBondContact O-N 2.92Å; D75-M81 HydrophobicContact CB-SD 3.68Å; K79-M81 PolarHBondContact O-N 3.48Å; M81-D83 VanDerWaalsContact C-N 3.35Å; M81-K88 HydrophobicContact CE-CB 4.21Å; M81-Y90 HydrophobicContact SD-CD2 4.5Å
82A86.5Confident87.5Confident90 Ų9075.4 Ų75.474%0.74436%0.363SS*.THydrogen-bonded Turntrans-82.6-9.3178.200000113.8R80R80-A82 PolarHBondContact O-N 3.42Å
83D87.8Confident87.4Confident68 Ų6875 Ų7536%0.36437%0.365SS..SBendtrans-78.9141179.2-171.17.7000110.9R80 M81 T85 S86R80-D83 WeakPolarHBondContact O-CB 3.14Å; R80-D83 PolarHBondContact O-N 2.92Å; M81-D83 VanDerWaalsContact C-N 3.35Å; D83-T85 PolarHBondContact O-N 2.77Å; D83-T85 PolarHBondContact OD1-N 3.32Å; D83-T85 PolarHBondContact OD2-OG1 2.9Å; D83-S86 VanDerWaalsContact O-CB 3.25Å; D83-S86 WeakPolarHBondContact O-CB 3.31Å; D83-S86 PolarHBondContact O-N 3.5Å; D83-S86 VanDerWaalsContact O-N 3.15Å
84N85.2Confident87.1Confident155 Ų15569.5 Ų69.583%0.82935%0.345SS*.THydrogen-bonded Turntrans-68.3-20177.2-73.4-22.9000112.3S86N84-S86 VanDerWaalsContact C-N 3.34Å
85T83.6Confident86.9Confident77 Ų7769 Ų6947%0.47234%0.342SS..THydrogen-bonded Turntrans-91.43.5175.981.20000113.7K79 D83K79-T85 WeakPolarHBondContact CD-O 3.33Å; K79-T85 PolarHBondContact NZ-O 3.39Å; K79-T85 PolarHBondContact NZ-OG1 2.94Å; D83-T85 PolarHBondContact O-N 2.77Å; D83-T85 PolarHBondContact OD1-N 3.32Å; D83-T85 PolarHBondContact OD2-OG1 2.9Å
86S85.7Confident86.9Confident13 Ų1371 Ų719%0.09135%0.353CS..  trans-75.9143.4172.9175.90000110.8D75 R80 D83 N84 K88D75-S86 WeakPolarHBondContact CB-OG 3.38Å; D75-S86 WeakPolarHBondContact OD2-CA 3.5Å; D75-S86 WeakPolarHBondContact OD2-CB 3.27Å; D75-S86 PolarHBondContact OD2-OG 2.88Å; R80-S86 WeakPolarHBondContact O-CB 3.43Å; D83-S86 VanDerWaalsContact O-CB 3.25Å; D83-S86 WeakPolarHBondContact O-CB 3.31Å; D83-S86 PolarHBondContact O-N 3.5Å; D83-S86 VanDerWaalsContact O-N 3.15Å; N84-S86 VanDerWaalsContact C-N 3.34Å; S86-K88 PolarHBondContact O-N 3.18Å; S86-K88 PolarHBondContact OG-N 2.96Å
87H83.5Confident86.8Confident141 Ų14172.8 Ų72.865%0.65336%0.364SS*.  trans-78.7-5172.7-72-103.8000112.4D75 W77 S89D75-H87 PolarHBondContact OD2-N 3.32Å; D75-H87 VanDerWaalsContact OD2-N 3.1Å; W77-H87 AromaticContact CD1-CD2 3.83Å; W77-H87 AromaticContact CD1-CG 3.99Å; W77-H87 AromaticContact NE1-CG 3.86Å; H87-S89 PolarHBondContact O-N 3.48Å
88K84.5Confident86.8Confident139 Ų13970.4 Ų70.460%0.60436%0.355SS*.  trans55.321.8-178.1-56.1-174179.9178.10114M81 S86 Y90M81-K88 HydrophobicContact CE-CB 4.21Å; S86-K88 PolarHBondContact O-N 3.18Å; S86-K88 PolarHBondContact OG-N 2.96Å; K88-Y90 PolarHBondContact O-N 3.01Å
89S85.3Confident86.9Confident30 Ų3070.2 Ų70.221%0.2135%0.35CS..  trans-79.1104176.245.70000109.8D75 F76 H87D75-S89 CarbonylContact C-O 3.37Å; D75-S89 WeakPolarHBondContact CA-O 3.21Å; F76-S89 WeakPolarHBondContact CB-OG 3.38Å; F76-S89 PolarHBondContact N-O 3.33Å; H87-S89 PolarHBondContact O-N 3.48Å
90Y86.6Confident86.8Confident120 Ų12070.2 Ų70.247%0.47135%0.354SS..  trans-95.5105.5-177.4-170.8-114.8000111.7M81 K88 P92M81-Y90 HydrophobicContact SD-CD2 4.5Å; K88-Y90 PolarHBondContact O-N 3.01Å; Y90-P92 HydrophobicContact CD1-CG 4.28Å; Y90-P92 HydrophobicContact CE1-CG 3.68Å; Y90-P92 HydrophobicContact CE2-CB 4.33Å; Y90-P92 HydrophobicContact CE2-CG 4.05Å
91R89.1Confident86.8Confident102 Ų10262.3 Ų62.339%0.38533%0.325SS..  trans-138.856.8-178.7-59.5-177.9-177.1-158.11112.4F76 L93 C94 I95F76-R91 HydrophobicContact CB-CB 4.49Å; F76-R91 HydrophobicContact CD2-CB 3.7Å; F76-R91 HydrophobicContact CD2-CG 4.24Å; F76-R91 HydrophobicContact CE2-CB 4.39Å; F76-R91 HydrophobicContact CG-CB 4.44Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.49Å; R91-C94 HydrophobicContact CB-CB 4.13Å; R91-C94 WeakPolarHBondContact O-CB 3.37Å; R91-C94 PolarHBondContact O-N 3.08Å; R91-C94 VanDerWaalsContact O-N 3.16Å; R91-I95 PolarHBondContact O-N 3.35Å
92P87.2Confident86.9Confident16 Ų1660 Ų6010%0.10431%0.313CS..Hα-helixtrans-61.8-35.2-170.827.5-38.5000113.4I71 F72 Y90 C94 I95 L96I71-P92 HydrophobicContact CG2-CB 3.92Å; I71-P92 WeakPolarHBondContact CG2-O 3.33Å; I71-P92 WeakPolarHBondContact O-CB 3.32Å; F72-P92 HydrophobicContact CD1-CB 3.72Å; F72-P92 HydrophobicContact CD1-CG 4.2Å; F72-P92 HydrophobicContact CE1-CB 3.91Å; F72-P92 HydrophobicContact CE1-CG 4.35Å; F72-P92 HydrophobicContact CG-CB 4.43Å; Y90-P92 HydrophobicContact CD1-CG 4.28Å; Y90-P92 HydrophobicContact CE1-CG 3.68Å; Y90-P92 HydrophobicContact CE2-CB 4.33Å; Y90-P92 HydrophobicContact CE2-CG 4.05Å; P92-C94 VanDerWaalsContact C-N 3.34Å; P92-C94 PolarHBondContact O-N 3.04Å; P92-I95 PolarHBondContact O-N 3.33Å; P92-L96 VanDerWaalsContact O-CB 3.29Å; P92-L96 WeakPolarHBondContact O-CB 3.35Å; P92-L96 PolarHBondContact O-N 3.04Å
93L88.6Confident87Confident93 Ų9360.3 Ų60.349%0.48730%0.302SS..Hα-helixtrans-69.1-33.5179.7-60.7-178000112.5R91 T97R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.49Å; L93-T97 PolarHBondContact O-N 2.85Å; L93-T97 PolarHBondContact O-OG1 3.33Å
94C84.5Confident86.9Confident9 Ų963.3 Ų63.36%0.06132%0.317CS..Hα-helixtrans-65.9-50.2176.1-164.60000110.2F76 R91 P92 L96 T97 F98F76-C94 HydrophobicContact CE2-CB 4.13Å; R91-C94 HydrophobicContact CB-CB 4.13Å; R91-C94 WeakPolarHBondContact O-CB 3.37Å; R91-C94 PolarHBondContact O-N 3.08Å; R91-C94 VanDerWaalsContact O-N 3.16Å; P92-C94 VanDerWaalsContact C-N 3.34Å; P92-C94 PolarHBondContact O-N 3.04Å; C94-L96 VanDerWaalsContact C-N 3.32Å; C94-L96 PolarHBondContact O-N 3.13Å; C94-T97 PolarHBondContact O-N 3.27Å; C94-F98 WeakPolarHBondContact O-CG 3.29Å; C94-F98 PolarHBondContact O-N 2.98Å; C94-F98 WeakPolarHBondContact SG-CZ 3.41Å
95I88.3Confident86.7Confident4 Ų457 Ų572%0.02129%0.289CS..Hα-helixtrans-62.2-38.7176.8-60.4-49.4000111.9D61 V62 I71 F76 R91 P92 T97 F98 K99D61-I95 HydrophobicContact CB-CG2 4.07Å; V62-I95 HydrophobicContact CG1-CG2 3.71Å; I71-I95 HydrophobicContact CG1-CG2 4.06Å; I71-I95 HydrophobicContact CG2-CB 4.05Å; I71-I95 HydrophobicContact CG2-CG2 4.02Å; F76-I95 HydrophobicContact CD2-CD1 3.47Å; F76-I95 VanDerWaalsContact CD2-CD1 3.47Å; F76-I95 HydrophobicContact CD2-CG1 3.92Å; F76-I95 HydrophobicContact CE2-CD1 3.61Å; F76-I95 HydrophobicContact CE2-CG1 4.4Å; F76-I95 HydrophobicContact CG-CD1 4.3Å; F76-I95 VanDerWaalsContact O-CD1 3.24Å; F76-I95 WeakPolarHBondContact O-CD1 3.49Å; R91-I95 PolarHBondContact O-N 3.35Å; P92-I95 PolarHBondContact O-N 3.33Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.29Å; I95-F98 HydrophobicContact CD1-CD2 3.85Å; I95-F98 HydrophobicContact CD1-CE2 4.12Å; I95-F98 PolarHBondContact O-N 3.47Å; I95-K99 PolarHBondContact O-N 3.42Å
96L88.9Confident86.7Confident46 Ų4654.8 Ų54.824%0.24128%0.281CS..Hα-helixtrans-59.8-42.4173.7-178.661.7000111.3L68 I71 P92 C94 K99 L100L68-L96 HydrophobicContact CD2-CD1 3.85Å; I71-L96 HydrophobicContact CD1-CD1 4.11Å; I71-L96 HydrophobicContact CG2-CB 4.48Å; P92-L96 VanDerWaalsContact O-CB 3.29Å; P92-L96 WeakPolarHBondContact O-CB 3.35Å; P92-L96 PolarHBondContact O-N 3.04Å; C94-L96 VanDerWaalsContact C-N 3.32Å; C94-L96 PolarHBondContact O-N 3.13Å; L96-K99 WeakPolarHBondContact O-CB 3.43Å; L96-K99 PolarHBondContact O-N 3.46Å; L96-L100 HydrophobicContact CG-CD1 4.43Å; L96-L100 WeakPolarHBondContact O-CG 3.17Å; L96-L100 PolarHBondContact O-N 3.22Å
97T86.6Confident86.6Confident39 Ų3957.5 Ų57.524%0.23929%0.293CS..Hα-helixtrans-70.9-36.6180-460000111.8L93 C94 I95 K99 L100 N101 L165L93-T97 PolarHBondContact O-N 2.85Å; L93-T97 PolarHBondContact O-OG1 3.33Å; C94-T97 PolarHBondContact O-N 3.27Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.29Å; T97-K99 VanDerWaalsContact C-N 3.34Å; T97-K99 PolarHBondContact O-N 2.93Å; T97-L100 PolarHBondContact O-N 3.19Å; T97-N101 WeakPolarHBondContact O-CB 3.28Å; T97-N101 VanDerWaalsContact O-CG 3.27Å; T97-N101 PolarHBondContact O-N 2.84Å; T97-N101 PolarHBondContact O-ND2 3.1Å; T97-L165 VanDerWaalsContact CB-CD2 3.46Å; T97-L165 HydrophobicContact CG2-CD2 3.09Å
98F87.9Confident86.6Confident1 Ų154.2 Ų54.20%0.00428%0.284CS..Hα-helixtrans-60.1-44.1170.4-62-24.2000112A55 I56 V62 F76 C94 I95 L100 N101 I102 F112 V162A55-F98 HydrophobicContact CB-CE2 4.02Å; I56-F98 HydrophobicContact CD1-CD1 4.17Å; I56-F98 HydrophobicContact CD1-CD2 4.36Å; I56-F98 HydrophobicContact CD1-CE1 4.18Å; I56-F98 HydrophobicContact CD1-CE2 4.37Å; I56-F98 HydrophobicContact CD1-CG 4.27Å; I56-F98 HydrophobicContact CD1-CZ 4.28Å; I56-F98 HydrophobicContact CG1-CB 4.35Å; I56-F98 HydrophobicContact CG1-CD1 4.28Å; I56-F98 HydrophobicContact CG1-CD2 3.71Å; I56-F98 HydrophobicContact CG1-CE2 4.01Å; I56-F98 HydrophobicContact CG1-CG 3.87Å; I56-F98 HydrophobicContact CG1-CZ 4.42Å; V62-F98 HydrophobicContact CB-CB 4.42Å; V62-F98 HydrophobicContact CG1-CB 3.84Å; F76-F98 AromaticContact CE2-CE2 3.95Å; F76-F98 HydrophobicContact CE2-CE2 3.95Å; F76-F98 HydrophobicContact CZ-CE2 4.02Å; C94-F98 WeakPolarHBondContact O-CG 3.29Å; C94-F98 PolarHBondContact O-N 2.98Å; C94-F98 WeakPolarHBondContact SG-CZ 3.41Å; I95-F98 HydrophobicContact CD1-CD2 3.85Å; I95-F98 HydrophobicContact CD1-CE2 4.12Å; I95-F98 PolarHBondContact O-N 3.47Å; F98-L100 PolarHBondContact O-N 2.88Å; F98-N101 PolarHBondContact O-N 3.07Å; F98-I102 WeakPolarHBondContact O-CD1 3.26Å; F98-I102 VanDerWaalsContact O-CG1 3.25Å; F98-I102 WeakPolarHBondContact O-CG1 3Å; F98-I102 PolarHBondContact O-N 2.78Å; F98-F112 HydrophobicContact CB-CE1 4.46Å; F98-F112 HydrophobicContact CD1-CD1 4.46Å; F98-F112 HydrophobicContact CD1-CE1 4.17Å; F98-V162 HydrophobicContact CE1-CG1 3.75Å; F98-V162 HydrophobicContact CZ-CG1 4.25Å; F98-V162 WeakPolarHBondContact CZ-O 3.5Å
99K89.9Confident86.5Confident11 Ų1149.6 Ų49.65%0.04827%0.268CS..Hα-helixtrans-59.3-45.9175.1-172.6-179.7-176.891.50111.6D61 V62 R63 S66 L68 I71 I95 L96 T97 N101 I102 L103D61-K99 PolarHBondContact O-NZ 3.03Å; V62-K99 HydrophobicContact CB-CB 4.45Å; R63-K99 PolarHBondContact O-NZ 3.03Å; S66-K99 PolarHBondContact O-NZ 3.5Å; S66-K99 PolarHBondContact OG-NZ 3.36Å; L68-K99 HydrophobicContact CD2-CD 3.89Å; I71-K99 HydrophobicContact CD1-CD 3.8Å; I95-K99 PolarHBondContact O-N 3.42Å; L96-K99 WeakPolarHBondContact O-CB 3.43Å; L96-K99 PolarHBondContact O-N 3.46Å; T97-K99 VanDerWaalsContact C-N 3.34Å; T97-K99 PolarHBondContact O-N 2.93Å; K99-N101 VanDerWaalsContact C-N 3.33Å; K99-N101 PolarHBondContact O-N 3.21Å; K99-I102 PolarHBondContact O-N 3.03Å; K99-L103 HydrophobicContact CG-CD1 4.22Å; K99-L103 VanDerWaalsContact O-CG 3.25Å; K99-L103 WeakPolarHBondContact O-CG 3.36Å; K99-L103 PolarHBondContact O-N 3.44Å
100L88.8Confident86.4Confident86 Ų8652.2 Ų52.245%0.4528%0.279SS..Hα-helixtrans-61.7-42.3176.7-71.1173.1000111.5L96 T97 F98 I102 L103 L104L96-L100 HydrophobicContact CG-CD1 4.43Å; L96-L100 WeakPolarHBondContact O-CG 3.17Å; L96-L100 PolarHBondContact O-N 3.22Å; T97-L100 PolarHBondContact O-N 3.19Å; F98-L100 PolarHBondContact O-N 2.88Å; L100-I102 VanDerWaalsContact C-N 3.32Å; L100-I102 PolarHBondContact O-N 3.41Å; L100-L103 PolarHBondContact O-N 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.09Å; L100-L104 PolarHBondContact O-N 3.31Å
101N87.2Confident86.3Confident10 Ų1049.6 Ų49.65%0.05327%0.269CS..Hα-helixtrans-60.7-42.1176.4-74-23.6000111.9T97 F98 K99 L104 G105 Y111 F112 I115T97-N101 WeakPolarHBondContact O-CB 3.28Å; T97-N101 VanDerWaalsContact O-CG 3.27Å; T97-N101 PolarHBondContact O-N 2.84Å; T97-N101 PolarHBondContact O-ND2 3.1Å; F98-N101 PolarHBondContact O-N 3.07Å; K99-N101 VanDerWaalsContact C-N 3.33Å; K99-N101 PolarHBondContact O-N 3.21Å; N101-L104 PolarHBondContact O-N 3.22Å; N101-G105 PolarHBondContact O-N 2.94Å; N101-Y111 HydrophobicContact CB-CD1 4.27Å; N101-Y111 HydrophobicContact CB-CE1 4.17Å; N101-Y111 WeakPolarHBondContact O-CE1 3.38Å; N101-F112 HydrophobicContact CB-CD1 4.08Å; N101-F112 HydrophobicContact CB-CE1 3.64Å; N101-F112 HydrophobicContact CB-CZ 4.15Å; N101-I115 WeakPolarHBondContact OD1-CD1 3.32Å
102I89Confident86Confident10 Ų1044.8 Ų44.85%0.05125%0.25CS..Hα-helixtrans-67.3-38.3177.1-64.6161.5000111.7I56 V62 P64 F98 K99 L100 L104 G106 M107 F112I56-I102 HydrophobicContact CG2-CD1 4.31Å; V62-I102 HydrophobicContact CB-CD1 3.63Å; V62-I102 HydrophobicContact CG2-CD1 3.46Å; V62-I102 VanDerWaalsContact CG2-CD1 3.46Å; V62-I102 WeakPolarHBondContact O-CD1 3.38Å; P64-I102 HydrophobicContact CG-CG2 4.29Å; F98-I102 WeakPolarHBondContact O-CD1 3.26Å; F98-I102 VanDerWaalsContact O-CG1 3.25Å; F98-I102 WeakPolarHBondContact O-CG1 3Å; F98-I102 PolarHBondContact O-N 2.78Å; K99-I102 PolarHBondContact O-N 3.03Å; L100-I102 VanDerWaalsContact C-N 3.32Å; L100-I102 PolarHBondContact O-N 3.41Å; I102-L104 VanDerWaalsContact C-N 3.28Å; I102-L104 PolarHBondContact O-N 3.42Å; I102-G106 WeakPolarHBondContact CA-O 3.44Å; I102-G106 WeakPolarHBondContact O-CA 3.19Å; I102-G106 PolarHBondContact O-N 2.94Å; I102-M107 HydrophobicContact CB-SD 4.35Å; I102-M107 HydrophobicContact CD1-SD 3.36Å; I102-M107 WeakPolarHBondContact CD1-SD 3.1Å; I102-M107 HydrophobicContact CG1-SD 3.51Å; I102-M107 VanDerWaalsContact CG1-SD 3.51Å; I102-M107 HydrophobicContact CG2-CG 4.1Å; I102-M107 HydrophobicContact CG2-SD 3.86Å; I102-F112 HydrophobicContact CD1-CZ 4.39Å; I102-F112 HydrophobicContact CG1-CZ 3.71Å
103L87.8Confident85.8Confident96 Ų9644.1 Ų44.150%0.50325%0.246SC..Hα-helixtrans-65.9-32.1177.4-71.5172.2000112.3P64 K99 L100P64-L103 HydrophobicContact CB-CD2 4.03Å; P64-L103 HydrophobicContact CG-CD2 4.23Å; K99-L103 HydrophobicContact CG-CD1 4.22Å; K99-L103 VanDerWaalsContact O-CG 3.25Å; K99-L103 WeakPolarHBondContact O-CG 3.36Å; K99-L103 PolarHBondContact O-N 3.44Å; L100-L103 PolarHBondContact O-N 3.28Å
104L86.9Confident85.6Confident131 Ų13143 Ų4369%0.68624%0.24SC*.Hα-helixtrans-90.2-45.2-177.7-66.4173.1000113.4L100 N101 I102 Y111L100-L104 WeakPolarHBondContact O-CG 3.09Å; L100-L104 PolarHBondContact O-N 3.31Å; N101-L104 PolarHBondContact O-N 3.22Å; I102-L104 VanDerWaalsContact C-N 3.28Å; I102-L104 PolarHBondContact O-N 3.42Å; L104-Y111 HydrophobicContact CB-CE1 4.22Å; L104-Y111 WeakPolarHBondContact CB-OH 3.13Å
105G80.4Confident85.5Confident23 Ų2344.1 Ų44.124%0.23725%0.245CC..Hα-helixtrans-122.47.7-171.300000114.7N101 T108N101-G105 PolarHBondContact O-N 2.94Å; G105-T108 PolarHBondContact O-OG1 2.85Å; G105-T108 VanDerWaalsContact O-OG1 3.11Å
106G85Confident85.3Confident30 Ų3044.5 Ų44.531%0.30925%0.247SC..THydrogen-bonded Turntrans69.3-164-178.300000113.3I102 T108I102-G106 WeakPolarHBondContact CA-O 3.44Å; I102-G106 WeakPolarHBondContact O-CA 3.19Å; I102-G106 PolarHBondContact O-N 2.94Å; G106-T108 PolarHBondContact O-N 2.93Å
107M82.8Confident85Confident70 Ų7042.9 Ų42.935%0.34524%0.239SC..THydrogen-bonded Turntrans-86.722.8-178.1-70.4-69.4-54.800113I56 V57 R63 I102I56-M107 HydrophobicContact CG2-CE 3.69Å; I56-M107 HydrophobicContact CG2-SD 4.29Å; V57-M107 HydrophobicContact CG2-CE 4.2Å; R63-M107 PolarHBondContact NH1-SD 3.29Å; I102-M107 HydrophobicContact CB-SD 4.35Å; I102-M107 HydrophobicContact CD1-SD 3.36Å; I102-M107 WeakPolarHBondContact CD1-SD 3.1Å; I102-M107 HydrophobicContact CG1-SD 3.51Å; I102-M107 VanDerWaalsContact CG1-SD 3.51Å; I102-M107 HydrophobicContact CG2-CG 4.1Å; I102-M107 HydrophobicContact CG2-SD 3.86Å
108T83.4Confident85Confident73 Ų7344.6 Ų44.645%0.44825%0.251SS..  trans-82.2123-17559.60000110.6G105 G106 L110 Y111 F112G105-T108 PolarHBondContact O-OG1 2.85Å; G105-T108 VanDerWaalsContact O-OG1 3.11Å; G106-T108 PolarHBondContact O-N 2.93Å; T108-L110 PolarHBondContact O-N 3.34Å; T108-Y111 PolarHBondContact O-N 3.49Å; T108-Y111 VanDerWaalsContact O-N 3.1Å; T108-F112 VanDerWaalsContact O-CD2 3.29Å; T108-F112 WeakPolarHBondContact O-CD2 3.22Å
109P82.8Confident84.8Confident41 Ų4148.2 Ų48.227%0.26627%0.271SS..Hα-helixtrans-55.2-38.3-179.8-25.233.1000112.8L48 Y111 F112 H113L48-P109 HydrophobicContact CD1-CG 4.47Å; L48-P109 HydrophobicContact CD2-CB 4.37Å; L48-P109 HydrophobicContact CG-CB 4.08Å; L48-P109 HydrophobicContact CG-CG 4.04Å; P109-Y111 VanDerWaalsContact C-N 3.25Å; P109-Y111 PolarHBondContact O-N 3.24Å; P109-F112 WeakPolarHBondContact O-CB 3.46Å; P109-F112 PolarHBondContact O-N 3.27Å; P109-H113 PolarHBondContact O-CD2 3.38Å; P109-H113 PolarHBondContact O-N 3.07Å
110L83.5Confident84.5Confident86 Ų8648.4 Ų48.445%0.4527%0.272SS..Hα-helixtrans-50.1-43.7176.9178.864.4000112.6L44 T108 F112 H113 I114L44-L110 HydrophobicContact CB-CD1 4.03Å; L44-L110 VanDerWaalsContact O-CD1 3.25Å; L44-L110 WeakPolarHBondContact O-CD1 3.25Å; T108-L110 PolarHBondContact O-N 3.34Å; L110-F112 PolarHBondContact O-N 3.49Å; L110-H113 PolarHBondContact O-N 2.96Å; L110-I114 HydrophobicContact CD1-CD1 4.07Å; L110-I114 HydrophobicContact CD1-CG1 4.27Å; L110-I114 HydrophobicContact CG-CD1 3.89Å; L110-I114 HydrophobicContact CG-CG1 4.47Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 2.99Å
111Y82.9Confident84.4Confident65 Ų6544.5 Ų44.526%0.25525%0.251SS..Hα-helixtrans-66.9-39-177.9-170.9-105.5000112.2N101 L104 T108 P109 I114 I115N101-Y111 HydrophobicContact CB-CD1 4.27Å; N101-Y111 HydrophobicContact CB-CE1 4.17Å; N101-Y111 WeakPolarHBondContact O-CE1 3.38Å; L104-Y111 HydrophobicContact CB-CE1 4.22Å; L104-Y111 WeakPolarHBondContact CB-OH 3.13Å; T108-Y111 PolarHBondContact O-N 3.49Å; T108-Y111 VanDerWaalsContact O-N 3.1Å; P109-Y111 VanDerWaalsContact C-N 3.25Å; P109-Y111 PolarHBondContact O-N 3.24Å; Y111-I114 PolarHBondContact O-N 2.93Å; Y111-I115 HydrophobicContact CD1-CD1 3.84Å; Y111-I115 HydrophobicContact CE1-CD1 3.3Å; Y111-I115 HydrophobicContact CE1-CG1 4.39Å; Y111-I115 HydrophobicContact CE2-CD1 4.39Å; Y111-I115 WeakPolarHBondContact O-CG1 3.36Å; Y111-I115 PolarHBondContact O-N 3.21Å; Y111-I115 VanDerWaalsContact O-N 3.13Å
112F82.6Confident84.4Confident0 Ų046.7 Ų46.70%027%0.271CS..Hα-helixtrans-64.5-43.8174.6-66.8-89.3000111.4I56 F98 N101 I102 T108 P109 L110 I115 N116 V162I56-F112 HydrophobicContact CD1-CD1 4.14Å; I56-F112 HydrophobicContact CD1-CE1 3.97Å; I56-F112 HydrophobicContact CD1-CZ 4.38Å; I56-F112 HydrophobicContact CG2-CE1 4.33Å; I56-F112 HydrophobicContact CG2-CE2 4.23Å; I56-F112 HydrophobicContact CG2-CZ 3.76Å; F98-F112 HydrophobicContact CB-CE1 4.46Å; F98-F112 HydrophobicContact CD1-CD1 4.46Å; F98-F112 HydrophobicContact CD1-CE1 4.17Å; N101-F112 HydrophobicContact CB-CD1 4.08Å; N101-F112 HydrophobicContact CB-CE1 3.64Å; N101-F112 HydrophobicContact CB-CZ 4.15Å; I102-F112 HydrophobicContact CD1-CZ 4.39Å; I102-F112 HydrophobicContact CG1-CZ 3.71Å; T108-F112 VanDerWaalsContact O-CD2 3.29Å; T108-F112 WeakPolarHBondContact O-CD2 3.22Å; P109-F112 WeakPolarHBondContact O-CB 3.46Å; P109-F112 PolarHBondContact O-N 3.27Å; L110-F112 PolarHBondContact O-N 3.49Å; F112-I115 PolarHBondContact O-N 3.45Å; F112-N116 PolarHBondContact O-N 3.14Å; F112-V162 HydrophobicContact CB-CG1 4.25Å; F112-V162 HydrophobicContact CB-CG2 4.32Å; F112-V162 HydrophobicContact CD1-CG1 4.14Å
113H83.4Confident84.4Confident2 Ų248.8 Ų48.81%0.00928%0.284CS..Hα-helixtrans-65.6-41178.3-64.9-57.5000112.3S43 L44 G46 P109 L110 I115 N116 V117S43-H113 PolarHBondContact O-CD2 3.28Å; S43-H113 VanDerWaalsContact O-CG 3.3Å; L44-H113 HydrophobicContact CD2-CB 3.99Å; G46-H113 PolarHBondContact O-NE2 2.83Å; P109-H113 PolarHBondContact O-CD2 3.38Å; P109-H113 PolarHBondContact O-N 3.07Å; L110-H113 PolarHBondContact O-N 2.96Å; H113-I115 VanDerWaalsContact C-N 3.33Å; H113-I115 PolarHBondContact O-N 3.24Å; H113-N116 PolarHBondContact O-N 2.93Å; H113-V117 VanDerWaalsContact O-CG2 3.32Å; H113-V117 WeakPolarHBondContact O-CG2 3.25Å; H113-V117 PolarHBondContact O-N 3.27Å
114I84.5Confident84.4Confident70 Ų7044.3 Ų44.336%0.35926%0.261SS..Hα-helixtrans-57.3-48174.4-71.3168.8000110.4L44 L110 Y111 N116 V117 C118L44-I114 HydrophobicContact CD2-CG1 3.88Å; L110-I114 HydrophobicContact CD1-CD1 4.07Å; L110-I114 HydrophobicContact CD1-CG1 4.27Å; L110-I114 HydrophobicContact CG-CD1 3.89Å; L110-I114 HydrophobicContact CG-CG1 4.47Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 2.99Å; Y111-I114 PolarHBondContact O-N 2.93Å; I114-N116 PolarHBondContact O-N 3.34Å; I114-V117 PolarHBondContact O-N 3.12Å; I114-C118 WeakPolarHBondContact O-CB 3.25Å; I114-C118 PolarHBondContact O-N 3.39Å; I114-C118 PolarHBondContact O-SG 2.94Å
115I83.6Confident84.5Confident33 Ų3339.5 Ų39.517%0.16924%0.238CC..Hα-helixtrans-63.3-42.8-180-71.4178.5000111.4N101 Y111 F112 H113 V117 C118 L119N101-I115 WeakPolarHBondContact OD1-CD1 3.32Å; Y111-I115 HydrophobicContact CD1-CD1 3.84Å; Y111-I115 HydrophobicContact CE1-CD1 3.3Å; Y111-I115 HydrophobicContact CE1-CG1 4.39Å; Y111-I115 HydrophobicContact CE2-CD1 4.39Å; Y111-I115 WeakPolarHBondContact O-CG1 3.36Å; Y111-I115 PolarHBondContact O-N 3.21Å; Y111-I115 VanDerWaalsContact O-N 3.13Å; F112-I115 PolarHBondContact O-N 3.45Å; H113-I115 VanDerWaalsContact C-N 3.33Å; H113-I115 PolarHBondContact O-N 3.24Å; I115-V117 PolarHBondContact O-N 3.03Å; I115-C118 PolarHBondContact O-N 2.77Å; I115-L119 HydrophobicContact CG2-CD1 3.74Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CB 3.44Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.4Å; I115-L119 PolarHBondContact O-N 2.79Å
116N83.4Confident84.9Confident11 Ų1143.4 Ų43.46%0.05925%0.253CS..Hα-helixtrans-61.1-43.8176.6-73.3-6.1000111.8F112 H113 I114 L119 H120 L165F112-N116 PolarHBondContact O-N 3.14Å; H113-N116 PolarHBondContact O-N 2.93Å; I114-N116 PolarHBondContact O-N 3.34Å; N116-L119 PolarHBondContact O-N 3.3Å; N116-H120 WeakPolarHBondContact O-CB 3.17Å; N116-H120 PolarHBondContact O-N 3.27Å; N116-L165 WeakPolarHBondContact OD1-CD1 3.25Å
117V83Confident85.1Confident13 Ų1344.1 Ų44.18%0.07925%0.249CC..Hα-helixtrans-64.4-43.7176.9173.70000111L44 H113 I114 I115 L119 H120 C121L44-V117 HydrophobicContact CD2-CG2 4.14Å; H113-V117 VanDerWaalsContact O-CG2 3.32Å; H113-V117 WeakPolarHBondContact O-CG2 3.25Å; H113-V117 PolarHBondContact O-N 3.27Å; I114-V117 PolarHBondContact O-N 3.12Å; I115-V117 PolarHBondContact O-N 3.03Å; V117-L119 PolarHBondContact O-N 3.46Å; V117-H120 PolarHBondContact O-N 3.47Å; V117-C121 WeakPolarHBondContact O-CB 3.39Å; V117-C121 PolarHBondContact O-N 3.17Å; V117-C121 PolarHBondContact O-SG 3.43Å
118C85.7Confident85.5Confident74 Ų7441 Ų4150%0.523%0.234SC..Hα-helixtrans-61.5-43.4176.4-71.60000112.1I114 I115 C121 A122I114-C118 WeakPolarHBondContact O-CB 3.25Å; I114-C118 PolarHBondContact O-N 3.39Å; I114-C118 PolarHBondContact O-SG 2.94Å; I115-C118 PolarHBondContact O-N 2.77Å; C118-C121 WeakPolarHBondContact O-CB 3.23Å; C118-C121 PolarHBondContact O-N 3.39Å; C118-A122 WeakPolarHBondContact O-CB 3.34Å; C118-A122 PolarHBondContact O-N 3.46Å
119L83.2Confident85.9Confident78 Ų7842.2 Ų42.241%0.40823%0.231SC..Hα-helixtrans-66.4-41.4177.3-73.6169.7000111.7I115 N116 V117 C121 A122 V123 L165I115-L119 HydrophobicContact CG2-CD1 3.74Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CB 3.44Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.4Å; I115-L119 PolarHBondContact O-N 2.79Å; N116-L119 PolarHBondContact O-N 3.3Å; V117-L119 PolarHBondContact O-N 3.46Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.34Å; L119-A122 PolarHBondContact O-N 3.06Å; L119-V123 WeakPolarHBondContact O-CG2 3.33Å; L119-V123 PolarHBondContact O-N 3.08Å; L119-L165 HydrophobicContact CD1-CD1 3.3Å; L119-L165 HydrophobicContact CD1-CG 4.13Å
120H85.2Confident86.2Confident14 Ų1442.9 Ų42.97%0.06523%0.234CC..Hα-helixtrans-62.9-41.1175.7-17249.2000112C36 Y40 N116 V117 A122 V123 T124 F149 A150 V159C36-H120 PolarHBondContact SG-CD2 2.92Å; Y40-H120 AromaticContact CD2-CD2 3.74Å; Y40-H120 AromaticContact CE2-CD2 3.21Å; Y40-H120 WeakPolarHBondContact CE2-CD2 3.26Å; Y40-H120 AromaticContact CE2-NE2 3.34Å; Y40-H120 VanDerWaalsContact CE2-NE2 3.34Å; Y40-H120 WeakPolarHBondContact CE2-NE2 3.49Å; Y40-H120 AromaticContact CZ-CD2 3.85Å; Y40-H120 AromaticContact CZ-NE2 3.75Å; N116-H120 WeakPolarHBondContact O-CB 3.17Å; N116-H120 PolarHBondContact O-N 3.27Å; V117-H120 PolarHBondContact O-N 3.47Å; H120-A122 PolarHBondContact O-N 3.03Å; H120-V123 PolarHBondContact O-N 3.48Å; H120-T124 VanDerWaalsContact O-CB 3.3Å; H120-T124 WeakPolarHBondContact O-CB 3.21Å; H120-T124 PolarHBondContact O-N 2.87Å; H120-T124 PolarHBondContact O-OG1 2.79Å; H120-F149 AromaticContact CE1-CE1 3.67Å; H120-F149 AromaticContact ND1-CE1 3.87Å; H120-A150 PolarHBondContact NE2-O 3Å; H120-A150 VanDerWaalsContact NE2-O 3.13Å; H120-V159 HydrophobicContact CB-CG2 4.1Å
121C85.5Confident86.5Confident4 Ų439.1 Ų39.13%0.02722%0.215CC..Hα-helixtrans-59.2-47171.3-70.20000111.5F33 V117 C118 L119 T124 C125F33-C121 HydrophobicContact CD2-CB 3.74Å; F33-C121 HydrophobicContact CE2-CB 3.8Å; V117-C121 WeakPolarHBondContact O-CB 3.39Å; V117-C121 PolarHBondContact O-N 3.17Å; V117-C121 PolarHBondContact O-SG 3.43Å; C118-C121 WeakPolarHBondContact O-CB 3.23Å; C118-C121 PolarHBondContact O-N 3.39Å; L119-C121 VanDerWaalsContact C-N 3.34Å; L119-C121 PolarHBondContact O-N 3.34Å; C121-T124 PolarHBondContact O-N 3.44Å; C121-C125 PolarHBondContact O-N 2.96Å; C121-C125 PolarHBondContact O-SG 3.36Å; C121-C125 VanDerWaalsContact O-SG 3.32Å
122A87.6Confident86.9Confident57 Ų5739 Ų3947%0.47122%0.217SC..Hα-helixtrans-61.9-45.2179.800000112.3C118 L119 H120 C125 L126C118-A122 WeakPolarHBondContact O-CB 3.34Å; C118-A122 PolarHBondContact O-N 3.46Å; L119-A122 PolarHBondContact O-N 3.06Å; H120-A122 PolarHBondContact O-N 3.03Å; A122-C125 PolarHBondContact O-N 2.83Å; A122-L126 WeakPolarHBondContact O-CB 3.27Å; A122-L126 PolarHBondContact O-N 3.32Å
123V88.9Confident87.2Confident54 Ų5446 Ų4633%0.32724%0.244SC..Hα-helixtrans-65.8-39.8177.4174.60000111L119 H120 L126 L127 F149L119-V123 WeakPolarHBondContact O-CG2 3.33Å; L119-V123 PolarHBondContact O-N 3.08Å; H120-V123 PolarHBondContact O-N 3.48Å; V123-L126 PolarHBondContact O-N 3Å; V123-L127 WeakPolarHBondContact O-CB 3.23Å; V123-L127 PolarHBondContact O-N 2.81Å; V123-F149 HydrophobicContact CB-CE1 4.45Å; V123-F149 HydrophobicContact CG1-CE1 3.78Å; V123-F149 HydrophobicContact CG1-CZ 3.68Å
124T87.9Confident87.6Confident1 Ų155.8 Ų55.81%0.00628%0.281CS..Hα-helixtrans-60.2-46.8175.2-62.30000111.5L32 H120 C121 L127 M128 A150L32-T124 HydrophobicContact CB-CG2 4.39Å; L32-T124 HydrophobicContact CD1-CG2 4.35Å; H120-T124 VanDerWaalsContact O-CB 3.3Å; H120-T124 WeakPolarHBondContact O-CB 3.21Å; H120-T124 PolarHBondContact O-N 2.87Å; H120-T124 PolarHBondContact O-OG1 2.79Å; C121-T124 PolarHBondContact O-N 3.44Å; T124-L127 PolarHBondContact O-N 3.31Å; T124-M128 PolarHBondContact O-N 2.97Å; T124-A150 HydrophobicContact CG2-CB 3.66Å
125C88.6Confident87.9Confident31 Ų3156.7 Ų56.721%0.20929%0.289CS..Hα-helixtrans-65.1-41.2176.6-66.20000111.7Y29 C121 A122 L127 M128 Y129Y29-C125 HydrophobicContact CD1-CB 4.03Å; Y29-C125 HydrophobicContact CE1-CB 4.21Å; Y29-C125 WeakPolarHBondContact CE1-O 3.47Å; C121-C125 PolarHBondContact O-N 2.96Å; C121-C125 PolarHBondContact O-SG 3.36Å; C121-C125 VanDerWaalsContact O-SG 3.32Å; A122-C125 PolarHBondContact O-N 2.83Å; C125-L127 VanDerWaalsContact C-N 3.31Å; C125-L127 PolarHBondContact O-N 3.24Å; C125-M128 PolarHBondContact O-N 3.18Å; C125-Y129 PolarHBondContact O-N 2.58Å
126L89.6Confident88.1Confident104 Ų10458.3 Ų58.355%0.54530%0.295SS..Hα-helixtrans-63.6-38.4176.7-178.562.4000111.9A122 V123 Y129 T130A122-L126 WeakPolarHBondContact O-CB 3.27Å; A122-L126 PolarHBondContact O-N 3.32Å; V123-L126 PolarHBondContact O-N 3Å; L126-Y129 HydrophobicContact CD1-CD1 4.5Å; L126-Y129 PolarHBondContact O-N 3.13Å; L126-T130 WeakPolarHBondContact O-CB 3.29Å; L126-T130 PolarHBondContact O-N 2.84Å; L126-T130 PolarHBondContact O-OG1 2.73Å
127L89.8Confident88.2Confident45 Ų4567.5 Ų67.524%0.23634%0.338CS..Hα-helixtrans-63.1-47.6174.5179.263.4000110.7V123 T124 C125 Y129 T130 C131 F149V123-L127 WeakPolarHBondContact O-CB 3.23Å; V123-L127 PolarHBondContact O-N 2.81Å; T124-L127 PolarHBondContact O-N 3.31Å; C125-L127 VanDerWaalsContact C-N 3.31Å; C125-L127 PolarHBondContact O-N 3.24Å; L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 PolarHBondContact O-N 3.41Å; L127-T130 PolarHBondContact O-N 3.39Å; L127-C131 WeakPolarHBondContact O-CB 3.44Å; L127-C131 PolarHBondContact O-N 3.48Å; L127-C131 PolarHBondContact O-SG 2.82Å; L127-C131 VanDerWaalsContact O-SG 3.41Å; L127-F149 HydrophobicContact CD2-CB 3.45Å; L127-F149 VanDerWaalsContact CD2-CB 3.45Å; L127-F149 HydrophobicContact CD2-CD1 3.93Å; L127-F149 HydrophobicContact CD2-CD2 3.71Å; L127-F149 HydrophobicContact CD2-CE2 4.44Å; L127-F149 HydrophobicContact CD2-CG 3.41Å; L127-F149 VanDerWaalsContact CD2-CG 3.41Å
128M90.6Very high88.4Confident4 Ų470.6 Ų70.62%0.0235%0.354CS..Hα-helixtrans-55.8-48.6175.4-176.5162.8-178.700111.2C28 Y29 L32 T124 C125 T130 C131 E132 F143 A146C28-M128 HydrophobicContact CB-CE 3.71Å; C28-M128 HydrophobicContact CB-SD 4.31Å; Y29-M128 HydrophobicContact CE1-CB 4.02Å; Y29-M128 HydrophobicContact CE1-CG 4.15Å; Y29-M128 HydrophobicContact CE1-SD 4.33Å; Y29-M128 HydrophobicContact CE2-SD 4.43Å; L32-M128 HydrophobicContact CD1-CB 4.09Å; L32-M128 HydrophobicContact CD1-CG 4.27Å; L32-M128 HydrophobicContact CD1-SD 3.29Å; L32-M128 WeakPolarHBondContact CD1-SD 3.24Å; L32-M128 HydrophobicContact CG-SD 4.45Å; T124-M128 PolarHBondContact O-N 2.97Å; C125-M128 PolarHBondContact O-N 3.18Å; M128-T130 VanDerWaalsContact C-N 3.32Å; M128-T130 PolarHBondContact O-N 2.87Å; M128-C131 PolarHBondContact O-N 3.3Å; M128-E132 VanDerWaalsContact O-CB 3.29Å; M128-E132 WeakPolarHBondContact O-CB 3.48Å; M128-E132 PolarHBondContact O-N 3.3Å; M128-F143 HydrophobicContact CE-CB 3.89Å; M128-F143 HydrophobicContact CE-CD2 4.04Å; M128-F143 HydrophobicContact CE-CG 4.48Å; M128-F143 HydrophobicContact SD-CD2 4.09Å; M128-A146 HydrophobicContact CB-CB 3.64Å; M128-A146 HydrophobicContact CG-CB 4.29Å
129Y90.8Very high88.4Confident99 Ų9969.6 Ų69.639%0.38835%0.346SS..Hα-helixtrans-58.9-43.8177.8175.5-100.5000112.1Y29 C125 L126 L127 E132 R133Y29-Y129 VanDerWaalsContact OH-CA 3.24Å; Y29-Y129 WeakPolarHBondContact OH-CA 3.28Å; Y29-Y129 PolarHBondContact OH-N 2.97Å; C125-Y129 PolarHBondContact O-N 2.58Å; L126-Y129 HydrophobicContact CD1-CD1 4.5Å; L126-Y129 PolarHBondContact O-N 3.13Å; L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 PolarHBondContact O-N 3.41Å; Y129-E132 PolarHBondContact O-N 2.83Å; Y129-R133 HydrophobicContact CD2-CG 4.16Å; Y129-R133 HydrophobicContact CE1-CG 4.38Å; Y129-R133 HydrophobicContact CE2-CG 3.8Å; Y129-R133 WeakPolarHBondContact O-CB 3.46Å; Y129-R133 VanDerWaalsContact O-CG 3.27Å; Y129-R133 WeakPolarHBondContact O-CG 3.33Å; Y129-R133 PolarHBondContact O-N 3.41Å
130T90.4Very high88.6Confident55 Ų5568.4 Ų68.434%0.33734%0.344SS..Hα-helixtrans-67.3-43.6-179.3-55.70000111.1L126 L127 M128 R133 W134L126-T130 WeakPolarHBondContact O-CB 3.29Å; L126-T130 PolarHBondContact O-N 2.84Å; L126-T130 PolarHBondContact O-OG1 2.73Å; L127-T130 PolarHBondContact O-N 3.39Å; M128-T130 VanDerWaalsContact C-N 3.32Å; M128-T130 PolarHBondContact O-N 2.87Å; T130-R133 PolarHBondContact O-N 2.59Å; T130-W134 WeakPolarHBondContact O-CB 3.06Å; T130-W134 PolarHBondContact O-N 3.31Å
131C90.3Very high88.8Confident8 Ų872 Ų725%0.05436%0.363CS..Iπ-helixtrans-63.7-42.3177.8-75.60000112.2L127 M128 R133 V135 F136 A142L127-C131 WeakPolarHBondContact O-CB 3.44Å; L127-C131 PolarHBondContact O-N 3.48Å; L127-C131 PolarHBondContact O-SG 2.82Å; L127-C131 VanDerWaalsContact O-SG 3.41Å; M128-C131 PolarHBondContact O-N 3.3Å; C131-R133 VanDerWaalsContact C-N 3.34Å; C131-V135 PolarHBondContact O-N 3.5Å; C131-F136 HydrophobicContact CB-CD2 3.96Å; C131-F136 HydrophobicContact CB-CE2 4.2Å; C131-F136 PolarHBondContact O-N 3.16Å; C131-A142 HydrophobicContact CB-CB 3.67Å
132E90.3Very high89Confident61 Ų6171.8 Ų71.829%0.28536%0.362SS..Iπ-helixtrans-65.3-35.5177.7-173-173.317200112.3Y29 M128 Y129 A142Y29-E132 PolarHBondContact OH-OE2 3.27Å; M128-E132 VanDerWaalsContact O-CB 3.29Å; M128-E132 WeakPolarHBondContact O-CB 3.48Å; M128-E132 PolarHBondContact O-N 3.3Å; Y129-E132 PolarHBondContact O-N 2.83Å; E132-A142 HydrophobicContact CB-CB 4.16Å
133R89.4Confident89.1Confident149 Ų14970.6 Ų70.656%0.56235%0.346SS*.Iπ-helixtrans-91.5-29.8-175-66-54.5-176.895.3-0.5115Y129 T130 C131Y129-R133 HydrophobicContact CD2-CG 4.16Å; Y129-R133 HydrophobicContact CE1-CG 4.38Å; Y129-R133 HydrophobicContact CE2-CG 3.8Å; Y129-R133 WeakPolarHBondContact O-CB 3.46Å; Y129-R133 VanDerWaalsContact O-CG 3.27Å; Y129-R133 WeakPolarHBondContact O-CG 3.33Å; Y129-R133 PolarHBondContact O-N 3.41Å; T130-R133 PolarHBondContact O-N 2.59Å; C131-R133 VanDerWaalsContact C-N 3.34Å
134W91.5Very high89.2Confident207 Ų20773.8 Ų73.878%0.78436%0.356SS*.Iπ-helixtrans-130.2-14.3-165.2-54.6103.1000114.7T130T130-W134 WeakPolarHBondContact O-CB 3.06Å; T130-W134 PolarHBondContact O-N 3.31Å
135V90.4Very high89.3Confident89 Ų8976.2 Ų76.254%0.53937%0.371SS..Iπ-helixtrans-116.8-50-170.8-1730000112.1C131C131-V135 PolarHBondContact O-N 3.5Å
136F88.9Confident89.2Confident66 Ų6674.8 Ų74.829%0.28936%0.361SS..  trans-117.4134.8-174.6-57.4-61.5000111.2C131 L141 A142 T145C131-F136 HydrophobicContact CB-CD2 3.96Å; C131-F136 HydrophobicContact CB-CE2 4.2Å; C131-F136 PolarHBondContact O-N 3.16Å; F136-L141 HydrophobicContact CB-CB 4.22Å; F136-L141 HydrophobicContact CD1-CB 4.15Å; F136-L141 HydrophobicContact CD1-CD1 4.17Å; F136-L141 HydrophobicContact CD2-CB 4.09Å; F136-L141 HydrophobicContact CG-CB 3.9Å; F136-A142 HydrophobicContact CD2-CB 4.15Å; F136-T145 WeakPolarHBondContact CE2-OG1 3.24Å
137E84.6Confident89.2Confident205 Ų20571.7 Ų71.796%0.95835%0.345SS*.SBendtrans-73.6-21.5167.3-62.3179.8-175.900111.8
138N87.3Confident89Confident78 Ų7875.2 Ų75.242%0.41736%0.363SS..  trans-99.3115.2-179.1-171.1-31.3000111.1C140 L141 A142N138-C140 PolarHBondContact O-N 2.96Å; N138-C140 VanDerWaalsContact OD1-CB 3.26Å; N138-C140 WeakPolarHBondContact OD1-CB 3.49Å; N138-C140 PolarHBondContact OD1-N 3.44Å; N138-L141 HydrophobicContact CB-CD1 4.08Å; N138-L141 HydrophobicContact CB-CG 4.14Å; N138-L141 PolarHBondContact O-N 2.89Å; N138-L141 VanDerWaalsContact O-N 3.1Å; N138-A142 PolarHBondContact O-N 3.42Å
139P84.8Confident88.8Confident53 Ų5377.2 Ų77.234%0.34437%0.372SS..Hα-helixtrans-64.7-25.4-17826.4-34.9000113.2L141 A142 F143P139-L141 VanDerWaalsContact C-N 3.35Å; P139-A142 PolarHBondContact O-N 2.82Å; P139-F143 PolarHBondContact O-N 3.01Å
140C88.8Confident88.4Confident53 Ų5372.5 Ų72.536%0.35835%0.353SS..Hα-helixtrans-65.5-39.2175.2-63.30000111.4N138 F143 F144N138-C140 PolarHBondContact O-N 2.96Å; N138-C140 VanDerWaalsContact OD1-CB 3.26Å; N138-C140 WeakPolarHBondContact OD1-CB 3.49Å; N138-C140 PolarHBondContact OD1-N 3.44Å; C140-F143 PolarHBondContact O-N 3.48Å; C140-F144 WeakPolarHBondContact O-CD2 3.39Å; C140-F144 PolarHBondContact O-N 3.31Å
141L89.5Confident87.9Confident88 Ų8873.2 Ų73.246%0.46136%0.357SS..Hα-helixtrans-65.4-43.9177.5-67.9178000110.8F136 N138 P139 F143 F144 T145F136-L141 HydrophobicContact CB-CB 4.22Å; F136-L141 HydrophobicContact CD1-CB 4.15Å; F136-L141 HydrophobicContact CD1-CD1 4.17Å; F136-L141 HydrophobicContact CD2-CB 4.09Å; F136-L141 HydrophobicContact CG-CB 3.9Å; N138-L141 HydrophobicContact CB-CD1 4.08Å; N138-L141 HydrophobicContact CB-CG 4.14Å; N138-L141 PolarHBondContact O-N 2.89Å; N138-L141 VanDerWaalsContact O-N 3.1Å; P139-L141 VanDerWaalsContact C-N 3.35Å; L141-F143 VanDerWaalsContact C-N 3.31Å; L141-F143 PolarHBondContact O-N 3.21Å; L141-F144 PolarHBondContact O-N 3.15Å; L141-T145 PolarHBondContact O-N 3.26Å; L141-T145 PolarHBondContact O-OG1 2.9Å
142A89.5Confident87.1Confident0 Ų077.3 Ų77.30%038%0.375CS..Hα-helixtrans-58.1-43.3174.700000112.1C131 E132 F136 N138 P139 T145 A146C131-A142 HydrophobicContact CB-CB 3.67Å; E132-A142 HydrophobicContact CB-CB 4.16Å; F136-A142 HydrophobicContact CD2-CB 4.15Å; N138-A142 PolarHBondContact O-N 3.42Å; P139-A142 PolarHBondContact O-N 2.82Å; A142-T145 PolarHBondContact O-N 2.92Å; A142-A146 WeakPolarHBondContact O-CB 3.19Å; A142-A146 PolarHBondContact O-N 3.42Å
143F90.3Very high85.3Confident33 Ų3378.7 Ų78.715%0.14539%0.39CS..Hα-helixtrans-61.8-48.8175.7175.7-100.6000112.3C28 L32 M128 P139 C140 L141 T145 A146 L147C28-F143 HydrophobicContact CB-CD2 3.78Å; C28-F143 HydrophobicContact CB-CE2 4.04Å; L32-F143 HydrophobicContact CD1-CD2 4.24Å; L32-F143 HydrophobicContact CD1-CE2 4.39Å; L32-F143 HydrophobicContact CD2-CD2 4.34Å; L32-F143 HydrophobicContact CD2-CE2 3.93Å; L32-F143 HydrophobicContact CD2-CZ 4.48Å; L32-F143 HydrophobicContact CG-CD2 4.13Å; L32-F143 HydrophobicContact CG-CE2 3.79Å; M128-F143 HydrophobicContact CE-CB 3.89Å; M128-F143 HydrophobicContact CE-CD2 4.04Å; M128-F143 HydrophobicContact CE-CG 4.48Å; M128-F143 HydrophobicContact SD-CD2 4.09Å; P139-F143 PolarHBondContact O-N 3.01Å; C140-F143 PolarHBondContact O-N 3.48Å; L141-F143 VanDerWaalsContact C-N 3.31Å; L141-F143 PolarHBondContact O-N 3.21Å; F143-T145 VanDerWaalsContact C-N 3.34Å; F143-T145 PolarHBondContact O-N 3.44Å; F143-A146 PolarHBondContact O-N 3.08Å; F143-L147 HydrophobicContact CE1-CD2 4.03Å; F143-L147 HydrophobicContact CZ-CD2 4.41Å; F143-L147 VanDerWaalsContact O-CB 3.29Å; F143-L147 WeakPolarHBondContact O-CB 3.26Å; F143-L147 PolarHBondContact O-N 2.78Å
144F91.1Very high83.5Confident121 Ų12176.2 Ų76.253%0.53139%0.391SS..Hα-helixtrans-65.7-36.3-179.8-79-66.5000112.5C140 L141 L147 L148C140-F144 WeakPolarHBondContact O-CD2 3.39Å; C140-F144 PolarHBondContact O-N 3.31Å; L141-F144 PolarHBondContact O-N 3.15Å; F144-L147 HydrophobicContact CD1-CD2 4.28Å; F144-L147 PolarHBondContact O-N 2.85Å; F144-L148 WeakPolarHBondContact O-CB 3.29Å; F144-L148 VanDerWaalsContact O-CG 3.27Å; F144-L148 WeakPolarHBondContact O-CG 3.32Å; F144-L148 PolarHBondContact O-N 3.15Å
145T88.6Confident81.7Confident52 Ų5268.8 Ų68.832%0.31937%0.365SS..Hα-helixtrans-62.1-46.3173.2-59.70000111.4F136 L141 A142 F143 L148 F149F136-T145 WeakPolarHBondContact CE2-OG1 3.24Å; L141-T145 PolarHBondContact O-N 3.26Å; L141-T145 PolarHBondContact O-OG1 2.9Å; A142-T145 PolarHBondContact O-N 2.92Å; F143-T145 VanDerWaalsContact C-N 3.34Å; F143-T145 PolarHBondContact O-N 3.44Å; T145-L148 PolarHBondContact O-N 3.29Å; T145-F149 PolarHBondContact O-N 3.4Å
146A87.6Confident79.7Confident0 Ų067 Ų670%035%0.354CS..Hα-helixtrans-67.7-37177.300000112.5L32 M128 A142 F143 F149 A150L32-A146 HydrophobicContact CD1-CB 3.76Å; M128-A146 HydrophobicContact CB-CB 3.64Å; M128-A146 HydrophobicContact CG-CB 4.29Å; A142-A146 WeakPolarHBondContact O-CB 3.19Å; A142-A146 PolarHBondContact O-N 3.42Å; F143-A146 PolarHBondContact O-N 3.08Å; A146-F149 WeakPolarHBondContact O-CB 3.36Å; A146-F149 PolarHBondContact O-N 2.76Å; A146-A150 WeakPolarHBondContact O-CB 3.22Å; A146-A150 PolarHBondContact O-N 3.19Å
147L88.3Confident77.6Confident40 Ų4070.5 Ų70.521%0.20937%0.372CS..Hα-helixtrans-64.4-44.9175.7179.263.9000111.4L32 L35 F143 F144 A150 V151L32-L147 HydrophobicContact CD2-CB 3.81Å; L32-L147 HydrophobicContact CD2-CD1 3.94Å; L35-L147 HydrophobicContact CD1-CD1 3.74Å; F143-L147 HydrophobicContact CE1-CD2 4.03Å; F143-L147 HydrophobicContact CZ-CD2 4.41Å; F143-L147 VanDerWaalsContact O-CB 3.29Å; F143-L147 WeakPolarHBondContact O-CB 3.26Å; F143-L147 PolarHBondContact O-N 2.78Å; F144-L147 HydrophobicContact CD1-CD2 4.28Å; F144-L147 PolarHBondContact O-N 2.85Å; L147-A150 PolarHBondContact O-N 3.06Å; L147-V151 HydrophobicContact CD1-CG2 4.11Å; L147-V151 WeakPolarHBondContact O-CG2 3.3Å; L147-V151 PolarHBondContact O-N 2.78Å; L147-V151 VanDerWaalsContact O-N 3.1Å
148L86.4Confident76Confident118 Ų11862.1 Ų62.162%0.61834%0.337SS*.Hα-helixtrans-58.3-51.3173.3-74.7171.1000109.3F144 T145 A150 V151 H152F144-L148 WeakPolarHBondContact O-CB 3.29Å; F144-L148 VanDerWaalsContact O-CG 3.27Å; F144-L148 WeakPolarHBondContact O-CG 3.32Å; F144-L148 PolarHBondContact O-N 3.15Å; T145-L148 PolarHBondContact O-N 3.29Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 3.05Å; L148-V151 PolarHBondContact O-N 3.39Å; L148-H152 WeakPolarHBondContact O-CA 3.41Å; L148-H152 WeakPolarHBondContact O-CB 3.14Å; L148-H152 PolarHBondContact O-N 3.04Å
149F85.6Confident73.9Confident47 Ų4758.8 Ų58.821%0.20632%0.32CS..Hα-helixtrans-55.2-42.2176.8-179-89.6000113.5H120 V123 L127 T145 A146 V151 H155H120-F149 AromaticContact CE1-CE1 3.67Å; H120-F149 AromaticContact ND1-CE1 3.87Å; V123-F149 HydrophobicContact CB-CE1 4.45Å; V123-F149 HydrophobicContact CG1-CE1 3.78Å; V123-F149 HydrophobicContact CG1-CZ 3.68Å; L127-F149 HydrophobicContact CD2-CB 3.45Å; L127-F149 VanDerWaalsContact CD2-CB 3.45Å; L127-F149 HydrophobicContact CD2-CD1 3.93Å; L127-F149 HydrophobicContact CD2-CD2 3.71Å; L127-F149 HydrophobicContact CD2-CE2 4.44Å; L127-F149 HydrophobicContact CD2-CG 3.41Å; L127-F149 VanDerWaalsContact CD2-CG 3.41Å; T145-F149 PolarHBondContact O-N 3.4Å; A146-F149 WeakPolarHBondContact O-CB 3.36Å; A146-F149 PolarHBondContact O-N 2.76Å; F149-V151 PolarHBondContact O-N 3.16Å; F149-H155 AromaticContact CD2-CD2 3.9Å; F149-H155 AromaticContact CD2-NE2 3.28Å; F149-H155 VanDerWaalsContact CD2-NE2 3.28Å; F149-H155 WeakPolarHBondContact CD2-NE2 3.43Å; F149-H155 AromaticContact CE2-CD2 3.86Å; F149-H155 AromaticContact CE2-CE1 3.44Å; F149-H155 VanDerWaalsContact CE2-CE1 3.44Å; F149-H155 WeakPolarHBondContact CE2-CE1 3.5Å; F149-H155 AromaticContact CE2-NE2 3.17Å; F149-H155 WeakPolarHBondContact CE2-NE2 3.25Å; F149-H155 AromaticContact CZ-NE2 3.95Å; F149-H155 PolarHBondContact O-CD2 3.06Å
150A82.6Confident72Confident0 Ų058.4 Ų58.40%032%0.318CS..Hα-helixtrans-62.5-41.2-179.700000112.6C36 Y40 H120 T124 A146 L147 L148C36-A150 HydrophobicContact CB-CB 4.28Å; Y40-A150 WeakPolarHBondContact CE2-O 3.38Å; Y40-A150 PolarHBondContact OH-O 3.04Å; H120-A150 PolarHBondContact NE2-O 3Å; H120-A150 VanDerWaalsContact NE2-O 3.13Å; T124-A150 HydrophobicContact CG2-CB 3.66Å; A146-A150 WeakPolarHBondContact O-CB 3.22Å; A146-A150 PolarHBondContact O-N 3.19Å; L147-A150 PolarHBondContact O-N 3.06Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 3.05Å
151V80.6Confident69.9Low70 Ų7057.4 Ų57.442%0.42431%0.31SS..Hα-helixtrans-99.6-15.4-171.5-175.50000112.1L147 L148 F149L147-V151 HydrophobicContact CD1-CG2 4.11Å; L147-V151 WeakPolarHBondContact O-CG2 3.3Å; L147-V151 PolarHBondContact O-N 2.78Å; L147-V151 VanDerWaalsContact O-N 3.1Å; L148-V151 PolarHBondContact O-N 3.39Å; F149-V151 PolarHBondContact O-N 3.16Å
152H72.8Confident68.1Low93 Ų9353.3 Ų53.343%0.43129%0.289SS..  trans-67.5125.5-170.1-165-85.7000111.8L148 V154 H155L148-H152 WeakPolarHBondContact O-CA 3.41Å; L148-H152 WeakPolarHBondContact O-CB 3.14Å; L148-H152 PolarHBondContact O-N 3.04Å; H152-V154 WeakPolarHBondContact ND1-CB 3.37Å; H152-V154 WeakPolarHBondContact ND1-CG1 3.42Å; H152-V154 PolarHBondContact ND1-N 2.91Å; H152-V154 VanDerWaalsContact ND1-N 3.17Å; H152-V154 PolarHBondContact O-N 2.72Å; H152-H155 PolarHBondContact O-N 3.2Å; H152-H155 VanDerWaalsContact O-N 3.12Å
153P53.5Low66.2Low91 Ų9154 Ų5459%0.59129%0.292SS*.G310 helixtrans-69.2-9.3-172.124.7-32.9000114.8H155 T156P153-H155 PolarHBondContact O-N 2.6Å; P153-T156 WeakPolarHBondContact CA-OG1 3.42Å; P153-T156 WeakPolarHBondContact O-CB 3.08Å; P153-T156 PolarHBondContact O-N 2.94Å; P153-T156 PolarHBondContact O-OG1 2.97Å; P153-T156 VanDerWaalsContact O-OG1 3.14Å
154V50.8Low64.1Low97 Ų9757.3 Ų57.359%0.58831%0.305SS*.G310 helixtrans-62.1-25.4171.582.70000112.4H152 T156H152-V154 WeakPolarHBondContact ND1-CB 3.37Å; H152-V154 WeakPolarHBondContact ND1-CG1 3.42Å; H152-V154 PolarHBondContact ND1-N 2.91Å; H152-V154 VanDerWaalsContact ND1-N 3.17Å; H152-V154 PolarHBondContact O-N 2.72Å; V154-T156 VanDerWaalsContact C-N 3.35Å
155H53Low62Low51 Ų5152.9 Ų52.924%0.23629%0.286CS..G310 helixtrans-87.5-8.5173.3-61.7-58.2000112.2F149 H152 P153 E157 A158 V159F149-H155 AromaticContact CD2-CD2 3.9Å; F149-H155 AromaticContact CD2-NE2 3.28Å; F149-H155 VanDerWaalsContact CD2-NE2 3.28Å; F149-H155 WeakPolarHBondContact CD2-NE2 3.43Å; F149-H155 AromaticContact CE2-CD2 3.86Å; F149-H155 AromaticContact CE2-CE1 3.44Å; F149-H155 VanDerWaalsContact CE2-CE1 3.44Å; F149-H155 WeakPolarHBondContact CE2-CE1 3.5Å; F149-H155 AromaticContact CE2-NE2 3.17Å; F149-H155 WeakPolarHBondContact CE2-NE2 3.25Å; F149-H155 AromaticContact CZ-NE2 3.95Å; F149-H155 PolarHBondContact O-CD2 3.06Å; H152-H155 PolarHBondContact O-N 3.2Å; H152-H155 VanDerWaalsContact O-N 3.12Å; P153-H155 PolarHBondContact O-N 2.6Å; H155-E157 VanDerWaalsContact C-N 3.27Å; H155-E157 PolarHBondContact O-N 3.1Å; H155-A158 CarbonylContact O-C 3.57Å; H155-A158 WeakPolarHBondContact O-CA 3.42Å; H155-A158 PolarHBondContact O-N 3.32Å; H155-V159 HydrophobicContact CB-CG2 4.49Å; H155-V159 WeakPolarHBondContact O-CB 3.32Å; H155-V159 VanDerWaalsContact O-CG2 3.26Å; H155-V159 WeakPolarHBondContact O-CG2 3.5Å; H155-V159 PolarHBondContact O-N 2.93Å
156T50.1Low59.8Low51 Ų5156.1 Ų56.131%0.31330%0.296SS..Hα-helixtrans-63.9-31.7178.1-55.10000111.6P153 V154 A158 S160P153-T156 WeakPolarHBondContact CA-OG1 3.42Å; P153-T156 WeakPolarHBondContact O-CB 3.08Å; P153-T156 PolarHBondContact O-N 2.94Å; P153-T156 PolarHBondContact O-OG1 2.97Å; P153-T156 VanDerWaalsContact O-OG1 3.14Å; V154-T156 VanDerWaalsContact C-N 3.35Å; T156-A158 VanDerWaalsContact C-N 3.35Å; T156-S160 WeakPolarHBondContact CG2-OG 3.43Å; T156-S160 WeakPolarHBondContact O-CA 3.39Å; T156-S160 WeakPolarHBondContact O-CB 3.41Å; T156-S160 PolarHBondContact O-N 3.02Å; T156-S160 PolarHBondContact O-OG 3.15Å
157E45.1Very low57.3Low140 Ų14059.9 Ų59.965%0.65432%0.323SS*.Hα-helixtrans-70.4-29.5171.5-70.9-169.1173.600112.6H155 T161H155-E157 VanDerWaalsContact C-N 3.27Å; H155-E157 PolarHBondContact O-N 3.1Å; E157-T161 VanDerWaalsContact O-CB 3.23Å; E157-T161 WeakPolarHBondContact O-CB 3.32Å; E157-T161 PolarHBondContact O-N 2.81Å; E157-T161 PolarHBondContact O-OG1 3.35Å
158A50Low55Low29 Ų2964.4 Ų64.424%0.2435%0.346CS..Hα-helixtrans-82-27.517600000113.4H155 T156 Y164H155-A158 CarbonylContact O-C 3.57Å; H155-A158 WeakPolarHBondContact O-CA 3.42Å; H155-A158 PolarHBondContact O-N 3.32Å; T156-A158 VanDerWaalsContact C-N 3.35Å; A158-Y164 HydrophobicContact CB-CD2 4.39Å; A158-Y164 HydrophobicContact CB-CG 4.36Å
159V43.8Very low52.6Low8 Ų867.5 Ų67.55%0.04835%0.35CS..Hα-helixtrans-95.6-33-176.9179.30000112.1Y40 H120 H155Y40-V159 HydrophobicContact CD1-CB 3.95Å; Y40-V159 HydrophobicContact CD1-CG1 3.24Å; Y40-V159 HydrophobicContact CD2-CG1 4.32Å; Y40-V159 HydrophobicContact CE1-CB 3.67Å; Y40-V159 HydrophobicContact CE1-CG1 3.51Å; Y40-V159 HydrophobicContact CE1-CG2 4.15Å; Y40-V159 HydrophobicContact CG-CG1 3.69Å; H120-V159 HydrophobicContact CB-CG2 4.1Å; H155-V159 HydrophobicContact CB-CG2 4.49Å; H155-V159 WeakPolarHBondContact O-CB 3.32Å; H155-V159 VanDerWaalsContact O-CG2 3.26Å; H155-V159 WeakPolarHBondContact O-CG2 3.5Å; H155-V159 PolarHBondContact O-N 2.93Å
160S43.5Very low50.1Low44 Ų4473.6 Ų73.631%0.30838%0.379SS..Hα-helixtrans-96.5-27.7-177-42.50000113.4T156T156-S160 WeakPolarHBondContact CG2-OG 3.43Å; T156-S160 WeakPolarHBondContact O-CA 3.39Å; T156-S160 WeakPolarHBondContact O-CB 3.41Å; T156-S160 PolarHBondContact O-N 3.02Å; T156-S160 PolarHBondContact O-OG 3.15Å
161T45.1Very low47.6Very low32 Ų3279.8 Ų79.820%0.19642%0.417CS..SBendtrans-100.7126.3166.5-1.10000107E157 Q163E157-T161 VanDerWaalsContact O-CB 3.23Å; E157-T161 WeakPolarHBondContact O-CB 3.32Å; E157-T161 PolarHBondContact O-N 2.81Å; E157-T161 PolarHBondContact O-OG1 3.35Å; T161-Q163 PolarHBondContact O-N 3.29Å
162V52.6Low45.4Very low3 Ų388 Ų882%0.01846%0.457CS..THydrogen-bonded Turntrans-73.335.9179.5-167.10000110.8L48 D52 I56 F98 F112L48-V162 HydrophobicContact CD2-CG2 3.86Å; D52-V162 HydrophobicContact CB-CB 4.32Å; D52-V162 VanDerWaalsContact CG-CB 3.48Å; D52-V162 VanDerWaalsContact CG-N 3.26Å; D52-V162 VanDerWaalsContact OD1-CA 3.23Å; D52-V162 WeakPolarHBondContact OD1-CA 3.23Å; D52-V162 WeakPolarHBondContact OD1-CB 3.33Å; D52-V162 PolarHBondContact OD1-N 3.21Å; D52-V162 WeakPolarHBondContact OD2-CB 3.47Å; D52-V162 PolarHBondContact OD2-N 3.47Å; I56-V162 HydrophobicContact CD1-CB 4.14Å; I56-V162 HydrophobicContact CD1-CG1 3.68Å; F98-V162 HydrophobicContact CE1-CG1 3.75Å; F98-V162 HydrophobicContact CZ-CG1 4.25Å; F98-V162 WeakPolarHBondContact CZ-O 3.5Å; F112-V162 HydrophobicContact CB-CG1 4.25Å; F112-V162 HydrophobicContact CB-CG2 4.32Å; F112-V162 HydrophobicContact CD1-CG1 4.14Å
163Q48.2Very low44Very low14 Ų1487.8 Ų87.87%0.06546%0.459CS..THydrogen-bonded Turntrans-96.9-15-173.9-166.667.4-11.700112.5D51 D52 T161D51-Q163 HydrophobicContact CB-CG 4.32Å; D51-Q163 VanDerWaalsContact CB-OE1 3.26Å; D51-Q163 PolarHBondContact OD2-NE2 3.02Å; D52-Q163 PolarHBondContact OD1-N 3.07Å; T161-Q163 PolarHBondContact O-N 3.29Å
164Y46.1Very low43.5Very low103 Ų10387.6 Ų87.640%0.40445%0.452SS..  trans-132.566.6-170.9-63.6-82.2000114.2A158 F166A158-Y164 HydrophobicContact CB-CD2 4.39Å; A158-Y164 HydrophobicContact CB-CG 4.36Å; Y164-F166 VanDerWaalsContact C-N 3.27Å; Y164-F166 PolarHBondContact O-N 3.39Å
165L47.6Very low43.1Very low28 Ų2887.1 Ų87.115%0.14744%0.444CS..SBendtrans-76.7-8.3166.5-153.469.3000114T97 N116 L119T97-L165 VanDerWaalsContact CB-CD2 3.46Å; T97-L165 HydrophobicContact CG2-CD2 3.09Å; N116-L165 WeakPolarHBondContact OD1-CD1 3.25Å; L119-L165 HydrophobicContact CD1-CD1 3.3Å; L119-L165 HydrophobicContact CD1-CG 4.13Å
166F42.8Very low42.5Very low119 Ų11989.2 Ų89.252%0.52246%0.456SS..  trans-15972.9-176.4-127.7-102.7000112.4Y164 Y169Y164-F166 VanDerWaalsContact C-N 3.27Å; Y164-F166 PolarHBondContact O-N 3.39Å; F166-Y169 AromaticContact CD1-CD2 3.54Å; F166-Y169 HydrophobicContact CD1-CD2 3.54Å; F166-Y169 AromaticContact CD1-CE2 3.99Å; F166-Y169 HydrophobicContact CD1-CE2 3.99Å; F166-Y169 AromaticContact CE1-CD2 3.17Å; F166-Y169 HydrophobicContact CE1-CD2 3.17Å; F166-Y169 AromaticContact CE1-CE2 3.15Å; F166-Y169 HydrophobicContact CE1-CE2 3.15Å; F166-Y169 HydrophobicContact CE1-CG 4.25Å; F166-Y169 HydrophobicContact CZ-CD2 4.16Å; F166-Y169 AromaticContact CZ-CE2 3.72Å; F166-Y169 HydrophobicContact CZ-CE2 3.72Å
167S35.8Very low42Very low80 Ų8091.6 Ų91.656%0.55947%0.465SS*.  trans-113.648171-164.70000112.1
168I40.1Very low41.8Very low134 Ų13488.3 Ų88.369%0.68745%0.453SS*.SBendtrans-113-7.2170.1-66179.2000112
169Y34.6Very low41.2Very low184 Ų18492.6 Ų92.672%0.72247%0.468SS*.SBendtrans-106.46.3-177.2-76-90.8000115.5F166F166-Y169 AromaticContact CD1-CD2 3.54Å; F166-Y169 HydrophobicContact CD1-CD2 3.54Å; F166-Y169 AromaticContact CD1-CE2 3.99Å; F166-Y169 HydrophobicContact CD1-CE2 3.99Å; F166-Y169 AromaticContact CE1-CD2 3.17Å; F166-Y169 HydrophobicContact CE1-CD2 3.17Å; F166-Y169 AromaticContact CE1-CE2 3.15Å; F166-Y169 HydrophobicContact CE1-CE2 3.15Å; F166-Y169 HydrophobicContact CE1-CG 4.25Å; F166-Y169 HydrophobicContact CZ-CD2 4.16Å; F166-Y169 AromaticContact CZ-CE2 3.72Å; F166-Y169 HydrophobicContact CZ-CE2 3.72Å
170H33.9Very low41Very low174 Ų17499.1 Ų99.181%0.80650%0.5SS*.SBendtrans-116.335.3-177.4-144.274.9000113.3
171T29.6Very low40.8Very low130 Ų130103.7 Ų103.780%0.79852%0.516SS*.  trans-136.252169.4-39.90000110.6
172L33.7Very low40.4Very low243 Ų243110.2 Ų110.2100%1.27255%0.545SS*.  trans-143.90152.3-76.7178.9000108.3

Retrieved 172 of 172 residues in 253.5 ms (Link to these results)