A0A077ZL01_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZL01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M33.2Very low54.5Low238 Ų238106.3 Ų106.3100%1.17255%0.547SS*.  0126.70-79.5-179.9150.900108.8K3M1-K3 PolarHBondContact O-N 3.24Å
2S43.2Very low56.8Low60 Ų60100.2 Ų100.242%0.4252%0.516SS..  trans-65.1124.3172.750.40000108.9Q4 L5S2-Q4 PolarHBondContact O-N 2.93Å; S2-L5 PolarHBondContact O-N 3.13Å; S2-L5 WeakPolarHBondContact OG-CD1 3.49Å; S2-L5 WeakPolarHBondContact OG-CG 3.38Å
3K52.6Low58.8Low189 Ų18993.4 Ų93.482%0.82248%0.481SS*.G310 helixtrans-52.3-22.3175.6-68.1-173.7176.7-179.20113M1 L5 Q6M1-K3 PolarHBondContact O-N 3.24Å; K3-L5 VanDerWaalsContact C-N 3.26Å; K3-L5 PolarHBondContact O-N 3.37Å; K3-Q6 WeakPolarHBondContact O-CB 3.43Å; K3-Q6 PolarHBondContact O-N 3.11Å
4Q52.8Low60.4Low138 Ų13890.8 Ų90.865%0.64546%0.464SS*.G310 helixtrans-66.5-19176.6-66.2-178-13.800114.9S2 L10S2-Q4 PolarHBondContact O-N 2.93Å; Q4-L10 WeakPolarHBondContact O-CD1 3.48Å
5L45.1Very low61.9Low70 Ų7086.1 Ų86.137%0.36644%0.44SS..G310 helixtrans-93.64.9178.6-69.9174.6000113.2S2 K3 A7 L10S2-L5 PolarHBondContact O-N 3.13Å; S2-L5 WeakPolarHBondContact OG-CD1 3.49Å; S2-L5 WeakPolarHBondContact OG-CG 3.38Å; K3-L5 VanDerWaalsContact C-N 3.26Å; K3-L5 PolarHBondContact O-N 3.37Å; L5-A7 PolarHBondContact O-N 3.02Å; L5-L10 HydrophobicContact CD2-CD2 3.67Å
6Q50.5Low63.4Low149 Ų14983.4 Ų83.470%0.69642%0.424SS*.  trans-63.5125.9177.5-147.6171.2-40.600108.9K3 D8K3-Q6 WeakPolarHBondContact O-CB 3.43Å; K3-Q6 PolarHBondContact O-N 3.11Å; Q6-D8 VanDerWaalsContact C-N 3.32Å; Q6-D8 PolarHBondContact O-N 2.73Å; Q6-D8 VanDerWaalsContact O-N 3.12Å
7A53.4Low64.6Low55 Ų5583.1 Ų83.146%0.45543%0.432SS..G310 helixtrans-72.8-9.1-143.400000116.9L5 D9L5-A7 PolarHBondContact O-N 3.02Å; A7-D9 PolarHBondContact O-N 2.84Å
8D56Low65.6Low137 Ų13780.7 Ų80.773%0.73342%0.421SS*.G310 helixtrans-76.1-21.8-159.1-63-20.5000113.9Q6Q6-D8 VanDerWaalsContact C-N 3.32Å; Q6-D8 PolarHBondContact O-N 2.73Å; Q6-D8 VanDerWaalsContact O-N 3.12Å
9D62.8Low66.4Low105 Ų10577.2 Ų77.256%0.56140%0.403SS*.G310 helixtrans-130.919.4-176.9-61.9-47.3000115.1A7 N11 K14A7-D9 PolarHBondContact O-N 2.84Å; D9-N11 PolarHBondContact O-N 3.34Å; D9-K14 VanDerWaalsContact CB-NZ 3.29Å; D9-K14 VanDerWaalsContact O-CD 3.24Å; D9-K14 WeakPolarHBondContact O-CD 3.23Å; D9-K14 PolarHBondContact O-NZ 3.44Å
10L69.3Low67.4Low27 Ų2775.3 Ų75.314%0.14140%0.396CS..  trans-85.691.5-171.1-148.579.7000112Q4 L5 K14 I15Q4-L10 WeakPolarHBondContact O-CD1 3.48Å; L5-L10 HydrophobicContact CD2-CD2 3.67Å; L10-K14 HydrophobicContact CD1-CB 4.16Å; L10-I15 HydrophobicContact CD2-CD1 3.99Å; L10-I15 HydrophobicContact CD2-CG1 3.48Å; L10-I15 VanDerWaalsContact CD2-CG1 3.48Å; L10-I15 HydrophobicContact CG-CD1 4.24Å; L10-I15 HydrophobicContact CG-CG1 3.6Å
11N80.1Confident68.2Low1 Ų174.6 Ų74.61%0.00540%0.402CS..  trans-86.5168.2170.867.221.3000112.2D9 I13 K14 I15 Q118 L141D9-N11 PolarHBondContact O-N 3.34Å; N11-I13 PolarHBondContact O-N 3.07Å; N11-I13 WeakPolarHBondContact OD1-CB 3.48Å; N11-I13 PolarHBondContact OD1-N 3.28Å; N11-K14 PolarHBondContact O-N 3.12Å; N11-K14 VanDerWaalsContact O-N 3.12Å; N11-K14 WeakPolarHBondContact OD1-CG 3.4Å; N11-K14 PolarHBondContact OD1-N 3.13Å; N11-I15 VanDerWaalsContact O-CG1 3.31Å; N11-I15 WeakPolarHBondContact O-CG1 3.4Å; N11-I15 PolarHBondContact O-N 2.96Å; N11-Q118 PolarHBondContact ND2-NE2 2.92Å; N11-Q118 VanDerWaalsContact ND2-NE2 3.19Å; N11-L141 HydrophobicContact CB-CD2 4.37Å; N11-L141 VanDerWaalsContact ND2-CD2 3.33Å; N11-L141 WeakPolarHBondContact ND2-CD2 3.27Å
12L82.5Confident70.6Confident33 Ų3367.5 Ų67.517%0.17336%0.364CS..Hα-helixtrans-59.7-30.6-178.3-71.7176000112.8I15 K16 M81 N139 L140 L144L12-I15 HydrophobicContact CD2-CD1 4.39Å; L12-I15 PolarHBondContact O-N 2.91Å; L12-K16 VanDerWaalsContact O-CB 3.31Å; L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.14Å; L12-M81 HydrophobicContact CB-CE 3.82Å; L12-M81 HydrophobicContact CB-SD 3.98Å; L12-M81 HydrophobicContact CD1-SD 4.04Å; L12-N139 WeakPolarHBondContact CD1-O 3.41Å; L12-L140 PolarHBondContact N-O 3.37Å; L12-L140 VanDerWaalsContact N-O 3.15Å; L12-L144 HydrophobicContact CD2-CD1 4.04Å; L12-L144 HydrophobicContact CD2-CG 4.23Å
13I82.3Confident72.5Confident12 Ų1266.7 Ų66.76%0.06235%0.354CS..Hα-helixtrans-62.3-49.8176.3-57.3176.4000110.5N11 K16 S17 I83 V87 I88 Y117 L140N11-I13 PolarHBondContact O-N 3.07Å; N11-I13 WeakPolarHBondContact OD1-CB 3.48Å; N11-I13 PolarHBondContact OD1-N 3.28Å; I13-K16 PolarHBondContact O-N 3.47Å; I13-S17 WeakPolarHBondContact O-CB 3.43Å; I13-S17 PolarHBondContact O-N 3.27Å; I13-I83 HydrophobicContact CB-CD1 4.28Å; I13-I83 HydrophobicContact CG1-CD1 4.11Å; I13-I83 HydrophobicContact CG1-CG2 4.5Å; I13-I83 HydrophobicContact CG2-CD1 4.15Å; I13-V87 HydrophobicContact CD1-CG1 3.74Å; I13-I88 HydrophobicContact CG2-CD1 4.14Å; I13-I88 HydrophobicContact CG2-CG1 4.33Å; I13-Y117 HydrophobicContact CD1-CD2 4.45Å; I13-Y117 HydrophobicContact CD1-CE2 3.87Å; I13-L140 HydrophobicContact CD1-CB 4.17Å; I13-L140 HydrophobicContact CG1-CB 4.1Å
14K82.3Confident74Confident57 Ų5761.4 Ų61.425%0.24834%0.341CS..Hα-helixtrans-65.2-43.1177.1-73.7177.2-174.9174.80111.4D9 L10 N11 K16 S17 V18D9-K14 VanDerWaalsContact CB-NZ 3.29Å; D9-K14 VanDerWaalsContact O-CD 3.24Å; D9-K14 WeakPolarHBondContact O-CD 3.23Å; D9-K14 PolarHBondContact O-NZ 3.44Å; L10-K14 HydrophobicContact CD1-CB 4.16Å; N11-K14 PolarHBondContact O-N 3.12Å; N11-K14 VanDerWaalsContact O-N 3.12Å; N11-K14 WeakPolarHBondContact OD1-CG 3.4Å; N11-K14 PolarHBondContact OD1-N 3.13Å; K14-K16 VanDerWaalsContact C-N 3.34Å; K14-K16 PolarHBondContact O-N 2.87Å; K14-S17 WeakPolarHBondContact O-CB 3.29Å; K14-S17 PolarHBondContact O-N 2.84Å; K14-V18 WeakPolarHBondContact O-CG2 3.38Å; K14-V18 PolarHBondContact O-N 3.21Å
15I81.7Confident75.4Confident21 Ų2159.5 Ų59.511%0.10833%0.331CS..Hα-helixtrans-58-49.9177.2-64.3171.1000109.7L10 N11 L12 S17 V18 I19 I78 L144L10-I15 HydrophobicContact CD2-CD1 3.99Å; L10-I15 HydrophobicContact CD2-CG1 3.48Å; L10-I15 VanDerWaalsContact CD2-CG1 3.48Å; L10-I15 HydrophobicContact CG-CD1 4.24Å; L10-I15 HydrophobicContact CG-CG1 3.6Å; N11-I15 VanDerWaalsContact O-CG1 3.31Å; N11-I15 WeakPolarHBondContact O-CG1 3.4Å; N11-I15 PolarHBondContact O-N 2.96Å; L12-I15 HydrophobicContact CD2-CD1 4.39Å; L12-I15 PolarHBondContact O-N 2.91Å; I15-S17 VanDerWaalsContact C-N 3.31Å; I15-S17 PolarHBondContact O-N 3.33Å; I15-V18 PolarHBondContact O-N 2.88Å; I15-I19 HydrophobicContact CG2-CD1 3.54Å; I15-I19 HydrophobicContact CG2-CG1 4.29Å; I15-I19 WeakPolarHBondContact O-CB 3.37Å; I15-I19 VanDerWaalsContact O-CG1 3.27Å; I15-I19 WeakPolarHBondContact O-CG1 3.15Å; I15-I19 PolarHBondContact O-N 3.43Å; I15-I78 HydrophobicContact CG2-CD1 3.87Å; I15-I78 HydrophobicContact CG2-CG2 4.11Å; I15-L144 HydrophobicContact CD1-CD1 3.92Å
16K85.8Confident77.1Confident42 Ų4257.2 Ų57.218%0.18332%0.319CS..Hα-helixtrans-57.3-45.8176.7-174.2178.5-175.3174.60111.4L12 I13 K14 S20 I78 L79 M81 I83L12-K16 VanDerWaalsContact O-CB 3.31Å; L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.14Å; I13-K16 PolarHBondContact O-N 3.47Å; K14-K16 VanDerWaalsContact C-N 3.34Å; K14-K16 PolarHBondContact O-N 2.87Å; K16-S20 WeakPolarHBondContact O-CB 2.97Å; K16-S20 PolarHBondContact O-N 3.42Å; K16-S20 PolarHBondContact O-OG 2.88Å; K16-I78 HydrophobicContact CB-CG2 3.95Å; K16-I78 WeakPolarHBondContact CD-O 3.43Å; K16-I78 HydrophobicContact CG-CG2 4.46Å; K16-I78 WeakPolarHBondContact CG-O 3.49Å; K16-L79 WeakPolarHBondContact CE-O 3.34Å; K16-L79 PolarHBondContact NZ-O 3.37Å; K16-M81 HydrophobicContact CB-CE 4.14Å; K16-M81 HydrophobicContact CD-CE 4.13Å; K16-M81 PolarHBondContact NZ-O 2.93Å; K16-I83 HydrophobicContact CB-CD1 4.4Å; K16-I83 HydrophobicContact CD-CD1 3.72Å; K16-I83 HydrophobicContact CD-CG1 4.34Å
17S84.3Confident78.7Confident79 Ų7954 Ų5455%0.55231%0.306SS*.Hα-helixtrans-61.1-46.3178.9-173.80000112.3I13 K14 I15 S20 A21I13-S17 WeakPolarHBondContact O-CB 3.43Å; I13-S17 PolarHBondContact O-N 3.27Å; K14-S17 WeakPolarHBondContact O-CB 3.29Å; K14-S17 PolarHBondContact O-N 2.84Å; I15-S17 VanDerWaalsContact C-N 3.31Å; I15-S17 PolarHBondContact O-N 3.33Å; S17-S20 PolarHBondContact O-N 3.26Å; S17-A21 WeakPolarHBondContact O-CB 3.47Å; S17-A21 PolarHBondContact O-N 2.89Å
18V82.1Confident80Confident39 Ų3953.7 Ų53.724%0.23630%0.301CS..Hα-helixtrans-64.6-46.5-179.7170.20000110.7K14 I15 A21 F22K14-V18 WeakPolarHBondContact O-CG2 3.38Å; K14-V18 PolarHBondContact O-N 3.21Å; I15-V18 PolarHBondContact O-N 2.88Å; V18-A21 PolarHBondContact O-N 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.38Å; V18-F22 PolarHBondContact O-N 3.06Å
19I82.1Confident81.1Confident14 Ų1448.7 Ų48.77%0.07227%0.273CS..Hα-helixtrans-63.6-44177.7-63.7169.9000110.2I15 A21 F22 M23 F71 F75 I78 L79I15-I19 HydrophobicContact CG2-CD1 3.54Å; I15-I19 HydrophobicContact CG2-CG1 4.29Å; I15-I19 WeakPolarHBondContact O-CB 3.37Å; I15-I19 VanDerWaalsContact O-CG1 3.27Å; I15-I19 WeakPolarHBondContact O-CG1 3.15Å; I15-I19 PolarHBondContact O-N 3.43Å; I19-A21 PolarHBondContact O-N 3.49Å; I19-F22 WeakPolarHBondContact O-CB 3.43Å; I19-F22 PolarHBondContact O-N 3.18Å; I19-M23 HydrophobicContact CG2-CG 4.31Å; I19-M23 WeakPolarHBondContact O-CB 3.48Å; I19-M23 WeakPolarHBondContact O-CG 3.47Å; I19-M23 PolarHBondContact O-N 2.96Å; I19-F71 HydrophobicContact CG2-CE1 4.46Å; I19-F75 HydrophobicContact CD1-CB 4.24Å; I19-F75 HydrophobicContact CD1-CD1 3.43Å; I19-F75 VanDerWaalsContact CD1-CD1 3.43Å; I19-F75 HydrophobicContact CD1-CE1 3.77Å; I19-F75 HydrophobicContact CD1-CG 3.87Å; I19-F75 HydrophobicContact CG2-CB 4.05Å; I19-F75 HydrophobicContact CG2-CD2 4.48Å; I19-F75 HydrophobicContact CG2-CG 4.22Å; I19-I78 HydrophobicContact CD1-CD1 4.09Å; I19-I78 HydrophobicContact CD1-CG2 4.18Å; I19-L79 HydrophobicContact CB-CD2 4.44Å; I19-L79 HydrophobicContact CG2-CD1 4.32Å; I19-L79 HydrophobicContact CG2-CD2 3.82Å; I19-L79 HydrophobicContact CG2-CG 4.16Å
20S85.2Confident81.9Confident39 Ų3947.1 Ų47.127%0.27326%0.261SS..Hα-helixtrans-63.1-41.4179.4-590000112.2K16 S17 M23 S24K16-S20 WeakPolarHBondContact O-CB 2.97Å; K16-S20 PolarHBondContact O-N 3.42Å; K16-S20 PolarHBondContact O-OG 2.88Å; S17-S20 PolarHBondContact O-N 3.26Å; S20-M23 PolarHBondContact O-N 3.03Å; S20-S24 WeakPolarHBondContact O-CB 3.27Å; S20-S24 PolarHBondContact O-N 3.11Å; S20-S24 PolarHBondContact O-OG 3.04Å
21A84.4Confident82.5Confident62 Ų6252.4 Ų52.451%0.51228%0.279SS..Hα-helixtrans-64.5-43.4175.300000111.4S17 V18 I19 S24 K25S17-A21 WeakPolarHBondContact O-CB 3.47Å; S17-A21 PolarHBondContact O-N 2.89Å; V18-A21 PolarHBondContact O-N 3.26Å; I19-A21 PolarHBondContact O-N 3.49Å; A21-S24 PolarHBondContact O-N 3.37Å; A21-K25 WeakPolarHBondContact O-CB 3.4Å; A21-K25 PolarHBondContact O-N 3.36Å
22F83.8Confident82.5Confident88 Ų8853 Ų5339%0.38628%0.283SS..Hα-helixtrans-60.8-48175.4-178.7-106.1000111.7V18 I19 S24 K25 L26 F71V18-F22 WeakPolarHBondContact O-CB 3.38Å; V18-F22 PolarHBondContact O-N 3.06Å; I19-F22 WeakPolarHBondContact O-CB 3.43Å; I19-F22 PolarHBondContact O-N 3.18Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 2.86Å; F22-K25 WeakPolarHBondContact O-CA 3.47Å; F22-K25 WeakPolarHBondContact O-CB 3.45Å; F22-K25 PolarHBondContact O-N 3.07Å; F22-L26 HydrophobicContact CD1-CD1 4.02Å; F22-L26 HydrophobicContact CD1-CG 4.33Å; F22-L26 HydrophobicContact CE1-CD1 3.52Å; F22-L26 HydrophobicContact CE1-CD2 4.31Å; F22-L26 HydrophobicContact CE1-CG 4Å; F22-L26 HydrophobicContact CE2-CD2 4.32Å; F22-L26 HydrophobicContact CZ-CD1 3.99Å; F22-L26 HydrophobicContact CZ-CD2 3.94Å; F22-L26 HydrophobicContact CZ-CG 4.11Å; F22-L26 WeakPolarHBondContact O-CG 3.41Å; F22-L26 PolarHBondContact O-N 3.24Å; F22-F71 HydrophobicContact CD1-CD1 4.34Å; F22-F71 AromaticContact CD1-CE1 3.83Å; F22-F71 HydrophobicContact CD1-CE1 3.83Å; F22-F71 HydrophobicContact CD1-CZ 4.26Å; F22-F71 HydrophobicContact CE1-CD1 4.31Å; F22-F71 AromaticContact CE1-CE1 3.91Å; F22-F71 HydrophobicContact CE1-CE1 3.91Å; F22-F71 HydrophobicContact CE1-CE2 4.49Å; F22-F71 HydrophobicContact CE1-CZ 4Å
23M82.4Confident82.2Confident43 Ų4352.3 Ų52.321%0.21228%0.278CS..Hα-helixtrans-59.9-42176.6-73.6-59.3-63.500112.3I19 S20 K25 L26 L27 F71 T72I19-M23 HydrophobicContact CG2-CG 4.31Å; I19-M23 WeakPolarHBondContact O-CB 3.48Å; I19-M23 WeakPolarHBondContact O-CG 3.47Å; I19-M23 PolarHBondContact O-N 2.96Å; S20-M23 PolarHBondContact O-N 3.03Å; M23-K25 VanDerWaalsContact C-N 3.28Å; M23-K25 PolarHBondContact O-N 3.38Å; M23-L26 PolarHBondContact O-N 3.18Å; M23-L26 HydrophobicContact SD-CD1 4.24Å; M23-L27 PolarHBondContact O-N 3.2Å; M23-F71 HydrophobicContact SD-CB 4.43Å; M23-F71 HydrophobicContact SD-CD1 4.01Å; M23-T72 WeakPolarHBondContact CE-OG1 3.22Å
24S84.1Confident81.9Confident79 Ų7956.1 Ų56.155%0.55231%0.312SS*.Hα-helixtrans-62.3-38.1175.4-600000111.6S20 A21 F22 S28S20-S24 WeakPolarHBondContact O-CB 3.27Å; S20-S24 PolarHBondContact O-N 3.11Å; S20-S24 PolarHBondContact O-OG 3.04Å; A21-S24 PolarHBondContact O-N 3.37Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 2.86Å; S24-S28 WeakPolarHBondContact O-CB 3.47Å; S24-S28 PolarHBondContact O-N 2.89Å
25K83.4Confident81.8Confident97 Ų9761.1 Ų61.142%0.42233%0.329SS..Hα-helixtrans-68.1-41.8176.2-169.157.5165.9166.30111.9A21 F22 M23 S28 F29A21-K25 WeakPolarHBondContact O-CB 3.4Å; A21-K25 PolarHBondContact O-N 3.36Å; F22-K25 WeakPolarHBondContact O-CA 3.47Å; F22-K25 WeakPolarHBondContact O-CB 3.45Å; F22-K25 PolarHBondContact O-N 3.07Å; M23-K25 VanDerWaalsContact C-N 3.28Å; M23-K25 PolarHBondContact O-N 3.38Å; K25-S28 WeakPolarHBondContact O-CB 3.45Å; K25-S28 PolarHBondContact O-N 3.05Å; K25-F29 HydrophobicContact CD-CD1 4.36Å; K25-F29 HydrophobicContact CD-CE1 3.85Å; K25-F29 HydrophobicContact CD-CZ 3.98Å; K25-F29 VanDerWaalsContact CE-CZ 3.43Å; K25-F29 HydrophobicContact CG-CE1 4.17Å; K25-F29 HydrophobicContact CG-CE2 4Å; K25-F29 HydrophobicContact CG-CZ 3.84Å; K25-F29 VanDerWaalsContact O-CG 3.3Å; K25-F29 WeakPolarHBondContact O-CG 3.42Å; K25-F29 PolarHBondContact O-N 3.46Å
26L81.3Confident81.5Confident22 Ų2262.7 Ų62.712%0.11535%0.351CS..Hα-helixtrans-60.9-44.8174.1-65.8-177.7000111.8F22 M23 S28 F29 K30 L65 L68F22-L26 HydrophobicContact CD1-CD1 4.02Å; F22-L26 HydrophobicContact CD1-CG 4.33Å; F22-L26 HydrophobicContact CE1-CD1 3.52Å; F22-L26 HydrophobicContact CE1-CD2 4.31Å; F22-L26 HydrophobicContact CE1-CG 4Å; F22-L26 HydrophobicContact CE2-CD2 4.32Å; F22-L26 HydrophobicContact CZ-CD1 3.99Å; F22-L26 HydrophobicContact CZ-CD2 3.94Å; F22-L26 HydrophobicContact CZ-CG 4.11Å; F22-L26 WeakPolarHBondContact O-CG 3.41Å; F22-L26 PolarHBondContact O-N 3.24Å; M23-L26 PolarHBondContact O-N 3.18Å; M23-L26 HydrophobicContact SD-CD1 4.24Å; L26-S28 VanDerWaalsContact C-N 3.31Å; L26-S28 PolarHBondContact O-N 2.89Å; L26-F29 WeakPolarHBondContact O-CB 3.37Å; L26-F29 PolarHBondContact O-N 3.1Å; L26-F29 VanDerWaalsContact O-N 3.15Å; L26-K30 PolarHBondContact O-N 3.1Å; L26-L65 HydrophobicContact CD2-CD2 3.63Å; L26-L68 HydrophobicContact CD1-CB 4.42Å; L26-L68 HydrophobicContact CD1-CD1 4.22Å; L26-L68 HydrophobicContact CD2-CD1 4.2Å
27L83Confident81.1Confident83 Ų8365.2 Ų65.244%0.43536%0.363SS..Hα-helixtrans-63.5-39.4176.6-176.761.2000111.6M23 F29 K30 R31M23-L27 PolarHBondContact O-N 3.2Å; L27-F29 VanDerWaalsContact C-N 3.33Å; L27-K30 PolarHBondContact O-N 3.05Å; L27-R31 WeakPolarHBondContact O-CG 3.33Å; L27-R31 PolarHBondContact O-N 2.85Å; L27-R31 VanDerWaalsContact O-N 3.07Å
28S80.9Confident80.5Confident48 Ų4862.8 Ų62.834%0.33634%0.344SS..Hα-helixtrans-60.2-43.6172.7-171.30000111.3S24 K25 L26 R31 S32S24-S28 WeakPolarHBondContact O-CB 3.47Å; S24-S28 PolarHBondContact O-N 2.89Å; K25-S28 WeakPolarHBondContact O-CB 3.45Å; K25-S28 PolarHBondContact O-N 3.05Å; L26-S28 VanDerWaalsContact C-N 3.31Å; L26-S28 PolarHBondContact O-N 2.89Å; S28-R31 PolarHBondContact O-N 3.17Å; S28-S32 WeakPolarHBondContact O-CB 3.43Å; S28-S32 PolarHBondContact O-N 3.19Å; S28-S32 PolarHBondContact O-OG 2.94Å; S28-S32 VanDerWaalsContact O-OG 3.07Å
29F80.2Confident79.8Confident32 Ų3265.2 Ų65.214%0.1436%0.363CS..Hα-helixtrans-61.1-50.2176.5-68-19.8000111.5K25 L26 L27 R31 S32 F33 Q40 F41 Y61 L65K25-F29 HydrophobicContact CD-CD1 4.36Å; K25-F29 HydrophobicContact CD-CE1 3.85Å; K25-F29 HydrophobicContact CD-CZ 3.98Å; K25-F29 VanDerWaalsContact CE-CZ 3.43Å; K25-F29 HydrophobicContact CG-CE1 4.17Å; K25-F29 HydrophobicContact CG-CE2 4Å; K25-F29 HydrophobicContact CG-CZ 3.84Å; K25-F29 VanDerWaalsContact O-CG 3.3Å; K25-F29 WeakPolarHBondContact O-CG 3.42Å; K25-F29 PolarHBondContact O-N 3.46Å; L26-F29 WeakPolarHBondContact O-CB 3.37Å; L26-F29 PolarHBondContact O-N 3.1Å; L26-F29 VanDerWaalsContact O-N 3.15Å; L27-F29 VanDerWaalsContact C-N 3.33Å; F29-R31 VanDerWaalsContact C-N 3.26Å; F29-R31 PolarHBondContact O-N 3.32Å; F29-S32 WeakPolarHBondContact O-CB 3.3Å; F29-S32 PolarHBondContact O-N 3.38Å; F29-F33 HydrophobicContact CB-CE2 4.47Å; F29-F33 WeakPolarHBondContact O-CD2 3.25Å; F29-F33 PolarHBondContact O-N 2.88Å; F29-Q40 HydrophobicContact CE1-CG 4.25Å; F29-F41 HydrophobicContact CB-CZ 4.1Å; F29-F41 HydrophobicContact CD1-CE1 4.07Å; F29-F41 HydrophobicContact CD1-CE2 4.44Å; F29-F41 AromaticContact CD1-CZ 3.53Å; F29-F41 HydrophobicContact CD1-CZ 3.53Å; F29-F41 HydrophobicContact CD2-CE1 4.37Å; F29-F41 HydrophobicContact CD2-CZ 4.26Å; F29-F41 AromaticContact CE1-CE1 3.87Å; F29-F41 HydrophobicContact CE1-CE1 3.87Å; F29-F41 AromaticContact CE1-CZ 3.78Å; F29-F41 HydrophobicContact CE1-CZ 3.78Å; F29-F41 HydrophobicContact CE2-CE1 4.25Å; F29-F41 HydrophobicContact CG-CE1 4.26Å; F29-F41 AromaticContact CG-CZ 3.73Å; F29-F41 HydrophobicContact CG-CZ 3.73Å; F29-F41 AromaticContact CZ-CE1 3.96Å; F29-F41 HydrophobicContact CZ-CE1 3.96Å; F29-F41 HydrophobicContact CZ-CZ 4.28Å; F29-Y61 HydrophobicContact CB-CE1 4.41Å; F29-Y61 VanDerWaalsContact CD2-OH 3.25Å; F29-Y61 WeakPolarHBondContact CD2-OH 3.11Å; F29-L65 HydrophobicContact CB-CD1 4.1Å
30K78.9Confident79.2Confident72 Ų7268 Ų6831%0.31338%0.375SS..Hα-helixtrans-54.5-42.4177.2-174.9163.6177.1156.50112.1L26 L27 A34 L65 E66L26-K30 PolarHBondContact O-N 3.1Å; L27-K30 PolarHBondContact O-N 3.05Å; K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 3.33Å; K30-L65 HydrophobicContact CB-CD1 4.2Å; K30-E66 IonicContact NZ-OE1 2.84Å; K30-E66 PolarHBondContact NZ-OE1 3.49Å
31R82.5Confident78.3Confident137 Ų13768.6 Ų68.652%0.51737%0.373SS..Hα-helixtrans-67.3-42.4175.9-70.3173.2-175.6166.40.3112.8L27 S28 F29 F33 A34 R35L27-R31 WeakPolarHBondContact O-CG 3.33Å; L27-R31 PolarHBondContact O-N 2.85Å; L27-R31 VanDerWaalsContact O-N 3.07Å; S28-R31 PolarHBondContact O-N 3.17Å; F29-R31 VanDerWaalsContact C-N 3.26Å; F29-R31 PolarHBondContact O-N 3.32Å; R31-F33 VanDerWaalsContact C-N 3.35Å; R31-A34 PolarHBondContact O-N 3.06Å; R31-R35 WeakPolarHBondContact O-CG 3.36Å; R31-R35 PolarHBondContact O-N 3.43Å
32S79.9Confident77.1Confident13 Ų1373.5 Ų73.59%0.09139%0.385CS..Hα-helixtrans-60.3-44.6176.3-68.90000111.3S28 F29 R35 G36 E37 Q40S28-S32 WeakPolarHBondContact O-CB 3.43Å; S28-S32 PolarHBondContact O-N 3.19Å; S28-S32 PolarHBondContact O-OG 2.94Å; S28-S32 VanDerWaalsContact O-OG 3.07Å; F29-S32 WeakPolarHBondContact O-CB 3.3Å; F29-S32 PolarHBondContact O-N 3.38Å; S32-R35 CarbonylContact O-C 3.53Å; S32-R35 PolarHBondContact O-N 2.78Å; S32-G36 PolarHBondContact O-N 3.44Å; S32-E37 WeakPolarHBondContact CB-O 3.49Å; S32-E37 PolarHBondContact O-N 3.44Å; S32-Q40 VanDerWaalsContact CB-NE2 3.35Å; S32-Q40 PolarHBondContact OG-NE2 3.17Å; S32-Q40 VanDerWaalsContact OG-NE2 3.13Å
33F75.4Confident75.8Confident19 Ų1973.4 Ų73.48%0.08340%0.396CS..Hα-helixtrans-62.4-45.3175.4-80.4-73.9000112.4F29 R31 R35 G36 L38 F41 V58 Y61F29-F33 HydrophobicContact CB-CE2 4.47Å; F29-F33 WeakPolarHBondContact O-CD2 3.25Å; F29-F33 PolarHBondContact O-N 2.88Å; R31-F33 VanDerWaalsContact C-N 3.35Å; F33-R35 PolarHBondContact O-N 2.71Å; F33-R35 VanDerWaalsContact O-N 3.11Å; F33-G36 PolarHBondContact O-N 3.07Å; F33-L38 HydrophobicContact CD1-CD1 4.47Å; F33-L38 HydrophobicContact CD1-CD2 3.27Å; F33-L38 HydrophobicContact CD1-CG 4.5Å; F33-L38 HydrophobicContact CE1-CD1 4.31Å; F33-L38 HydrophobicContact CE1-CD2 3.34Å; F33-L38 HydrophobicContact CE1-CG 4.46Å; F33-L38 HydrophobicContact CG-CD2 3.94Å; F33-L38 HydrophobicContact CZ-CD2 3.99Å; F33-F41 HydrophobicContact CD2-CE2 4.09Å; F33-F41 HydrophobicContact CD2-CZ 4.27Å; F33-F41 HydrophobicContact CE1-CE2 4.26Å; F33-F41 HydrophobicContact CE2-CD2 4.19Å; F33-F41 HydrophobicContact CE2-CE1 4.21Å; F33-F41 AromaticContact CE2-CE2 3.24Å; F33-F41 HydrophobicContact CE2-CE2 3.24Å; F33-F41 AromaticContact CE2-CZ 3.27Å; F33-F41 HydrophobicContact CE2-CZ 3.27Å; F33-F41 AromaticContact CZ-CD2 3.86Å; F33-F41 HydrophobicContact CZ-CD2 3.86Å; F33-F41 HydrophobicContact CZ-CE1 4.34Å; F33-F41 AromaticContact CZ-CE2 3.37Å; F33-F41 HydrophobicContact CZ-CE2 3.37Å; F33-F41 AromaticContact CZ-CZ 3.66Å; F33-F41 HydrophobicContact CZ-CZ 3.66Å; F33-V58 HydrophobicContact CD1-CB 4.2Å; F33-V58 HydrophobicContact CD1-CG1 3.54Å; F33-V58 HydrophobicContact CD1-CG2 4.05Å; F33-V58 HydrophobicContact CE1-CB 4.37Å; F33-V58 HydrophobicContact CE1-CG1 4.18Å; F33-V58 HydrophobicContact CE1-CG2 4.03Å; F33-V58 HydrophobicContact CG-CG1 4.4Å; F33-Y61 AromaticContact CD2-CD1 3.79Å; F33-Y61 HydrophobicContact CD2-CD1 3.79Å; F33-Y61 AromaticContact CD2-CE1 3.99Å; F33-Y61 HydrophobicContact CD2-CE1 3.99Å; F33-Y61 HydrophobicContact CE1-CD1 4.28Å; F33-Y61 AromaticContact CE2-CD1 3.09Å; F33-Y61 HydrophobicContact CE2-CD1 3.09Å; F33-Y61 AromaticContact CE2-CE1 3.18Å; F33-Y61 HydrophobicContact CE2-CE1 3.18Å; F33-Y61 HydrophobicContact CE2-CG 4.07Å; F33-Y61 AromaticContact CZ-CD1 3.38Å; F33-Y61 HydrophobicContact CZ-CD1 3.38Å; F33-Y61 AromaticContact CZ-CE1 3.79Å; F33-Y61 HydrophobicContact CZ-CE1 3.79Å; F33-Y61 AromaticContact CZ-CG 3.89Å; F33-Y61 HydrophobicContact CZ-CG 3.89Å
34A76.6Confident74.3Confident92 Ų9279.3 Ų79.376%0.7642%0.423SS*.Hα-helixtrans-60.1-23.2176.800000113.7K30 R31K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 3.33Å; R31-A34 PolarHBondContact O-N 3.06Å
35R80.7Confident72.4Confident162 Ų16281 Ų8161%0.61144%0.441SS*.THydrogen-bonded Turntrans-97.3-6175.2-62.5177.7-157174.62.3114R31 S32 F33 E37R31-R35 WeakPolarHBondContact O-CG 3.36Å; R31-R35 PolarHBondContact O-N 3.43Å; S32-R35 CarbonylContact O-C 3.53Å; S32-R35 PolarHBondContact O-N 2.78Å; F33-R35 PolarHBondContact O-N 2.71Å; F33-R35 VanDerWaalsContact O-N 3.11Å; R35-E37 HydrophobicContact CB-CB 4.38Å; R35-E37 HydrophobicContact CB-CG 3.84Å; R35-E37 VanDerWaalsContact CD-OE1 3.29Å; R35-E37 WeakPolarHBondContact CD-OE1 3.29Å; R35-E37 IonicContact NH1-OE1 3.67Å; R35-E37 IonicContact NH1-OE2 3.44Å; R35-E37 PolarHBondContact NH1-OE2 3.26Å; R35-E37 PolarHBondContact O-N 3Å
36G74.4Confident70.6Confident55 Ų5585.2 Ų85.257%0.56746%0.462SS*.THydrogen-bonded Turntrans6914.3-169.500000114.5S32 F33 L38S32-G36 PolarHBondContact O-N 3.44Å; F33-G36 PolarHBondContact O-N 3.07Å; G36-L38 PolarHBondContact O-N 2.94Å
37E78.1Confident68.8Low94 Ų9493.1 Ų93.144%0.43950%0.501SS..  trans-82.475.8-178.6-70.6173-171.700111.1S32 R35S32-E37 WeakPolarHBondContact CB-O 3.49Å; S32-E37 PolarHBondContact O-N 3.44Å; R35-E37 HydrophobicContact CB-CB 4.38Å; R35-E37 HydrophobicContact CB-CG 3.84Å; R35-E37 VanDerWaalsContact CD-OE1 3.29Å; R35-E37 WeakPolarHBondContact CD-OE1 3.29Å; R35-E37 IonicContact NH1-OE1 3.67Å; R35-E37 IonicContact NH1-OE2 3.44Å; R35-E37 PolarHBondContact NH1-OE2 3.26Å; R35-E37 PolarHBondContact O-N 3Å
38L70.5Confident66.9Low28 Ų2891.9 Ų91.915%0.14751%0.509CS..  trans-95.810.6-172.3-52.5179.9000114.5F33 G36 Q40 F41 I53 V58F33-L38 HydrophobicContact CD1-CD1 4.47Å; F33-L38 HydrophobicContact CD1-CD2 3.27Å; F33-L38 HydrophobicContact CD1-CG 4.5Å; F33-L38 HydrophobicContact CE1-CD1 4.31Å; F33-L38 HydrophobicContact CE1-CD2 3.34Å; F33-L38 HydrophobicContact CE1-CG 4.46Å; F33-L38 HydrophobicContact CG-CD2 3.94Å; F33-L38 HydrophobicContact CZ-CD2 3.99Å; G36-L38 PolarHBondContact O-N 2.94Å; L38-Q40 PolarHBondContact O-N 2.92Å; L38-F41 HydrophobicContact CB-CD2 4.2Å; L38-F41 HydrophobicContact CD2-CD2 3.97Å; L38-F41 HydrophobicContact CD2-CE2 4.12Å; L38-F41 WeakPolarHBondContact O-CB 3.42Å; L38-F41 PolarHBondContact O-N 3.43Å; L38-I53 HydrophobicContact CB-CD1 3.98Å; L38-I53 HydrophobicContact CD1-CB 3.8Å; L38-I53 HydrophobicContact CD1-CD1 3.84Å; L38-I53 HydrophobicContact CD1-CG1 4.05Å; L38-I53 HydrophobicContact CD1-CG2 4.37Å; L38-I53 HydrophobicContact CG-CD1 4.41Å; L38-V58 HydrophobicContact CD1-CG2 3.85Å
39S68.8Low65.4Low91 Ų9196.9 Ų96.964%0.63653%0.531SS*.G310 helixtrans-57.6-33.6-176.956.40000113.4F41 Q42S39-F41 PolarHBondContact O-N 3.13Å; S39-Q42 WeakPolarHBondContact O-CB 3.47Å; S39-Q42 PolarHBondContact O-N 3.19Å; S39-Q42 VanDerWaalsContact O-N 3.17Å
40Q68.5Low63.9Low72 Ų72105.4 Ų105.434%0.33657%0.572SS.*G310 helixtrans-67.2-20176.172.6-168.8-24.600113.8F29 S32 L38F29-Q40 HydrophobicContact CE1-CG 4.25Å; S32-Q40 VanDerWaalsContact CB-NE2 3.35Å; S32-Q40 PolarHBondContact OG-NE2 3.17Å; S32-Q40 VanDerWaalsContact OG-NE2 3.13Å; L38-Q40 PolarHBondContact O-N 2.92Å
41F66.2Low62.7Low52 Ų52105.1 Ų105.123%0.22859%0.59CS.*G310 helixtrans-93.1-3.4177.1-57.5-71.4000112.6F29 F33 L38 S39 S43 I53 Y61F29-F41 HydrophobicContact CB-CZ 4.1Å; F29-F41 HydrophobicContact CD1-CE1 4.07Å; F29-F41 HydrophobicContact CD1-CE2 4.44Å; F29-F41 AromaticContact CD1-CZ 3.53Å; F29-F41 HydrophobicContact CD1-CZ 3.53Å; F29-F41 HydrophobicContact CD2-CE1 4.37Å; F29-F41 HydrophobicContact CD2-CZ 4.26Å; F29-F41 AromaticContact CE1-CE1 3.87Å; F29-F41 HydrophobicContact CE1-CE1 3.87Å; F29-F41 AromaticContact CE1-CZ 3.78Å; F29-F41 HydrophobicContact CE1-CZ 3.78Å; F29-F41 HydrophobicContact CE2-CE1 4.25Å; F29-F41 HydrophobicContact CG-CE1 4.26Å; F29-F41 AromaticContact CG-CZ 3.73Å; F29-F41 HydrophobicContact CG-CZ 3.73Å; F29-F41 AromaticContact CZ-CE1 3.96Å; F29-F41 HydrophobicContact CZ-CE1 3.96Å; F29-F41 HydrophobicContact CZ-CZ 4.28Å; F33-F41 HydrophobicContact CD2-CE2 4.09Å; F33-F41 HydrophobicContact CD2-CZ 4.27Å; F33-F41 HydrophobicContact CE1-CE2 4.26Å; F33-F41 HydrophobicContact CE2-CD2 4.19Å; F33-F41 HydrophobicContact CE2-CE1 4.21Å; F33-F41 AromaticContact CE2-CE2 3.24Å; F33-F41 HydrophobicContact CE2-CE2 3.24Å; F33-F41 AromaticContact CE2-CZ 3.27Å; F33-F41 HydrophobicContact CE2-CZ 3.27Å; F33-F41 AromaticContact CZ-CD2 3.86Å; F33-F41 HydrophobicContact CZ-CD2 3.86Å; F33-F41 HydrophobicContact CZ-CE1 4.34Å; F33-F41 AromaticContact CZ-CE2 3.37Å; F33-F41 HydrophobicContact CZ-CE2 3.37Å; F33-F41 AromaticContact CZ-CZ 3.66Å; F33-F41 HydrophobicContact CZ-CZ 3.66Å; L38-F41 HydrophobicContact CB-CD2 4.2Å; L38-F41 HydrophobicContact CD2-CD2 3.97Å; L38-F41 HydrophobicContact CD2-CE2 4.12Å; L38-F41 WeakPolarHBondContact O-CB 3.42Å; L38-F41 PolarHBondContact O-N 3.43Å; S39-F41 PolarHBondContact O-N 3.13Å; F41-S43 PolarHBondContact O-N 3.41Å; F41-I53 HydrophobicContact CB-CD1 4.02Å; F41-Y61 HydrophobicContact CZ-CE1 4.42Å
42Q60.3Low61.5Low164 Ų164102 Ų10277%0.76660%0.6SS**  trans-74.147.3171.6-67.2-172.6-10.900111.6S39 H44S39-Q42 WeakPolarHBondContact O-CB 3.47Å; S39-Q42 PolarHBondContact O-N 3.19Å; S39-Q42 VanDerWaalsContact O-N 3.17Å; Q42-H44 PolarHBondContact O-N 3.28Å
43S56.4Low60.8Low87 Ų87105 Ų10561%0.60862%0.615SS**  trans-75.1114.8169.166.70000108.9F41F41-S43 PolarHBondContact O-N 3.41Å
44H49.3Very low60.7Low167 Ų167106.8 Ų106.877%0.77363%0.629SS**  trans89.396.2169.4-55.6-74.1000116.6Q42 Q46Q42-H44 PolarHBondContact O-N 3.28Å; H44-Q46 PolarHBondContact O-N 2.96Å
45A45Very low60.6Low113 Ų113110.5 Ų110.593%0.93463%0.631SS**THydrogen-bonded Turntrans-63.448.8169.600000114.2
46Q46.3Very low60.5Low187 Ų187105.9 Ų105.987%0.87463%0.627SS**THydrogen-bonded Turntrans-138.315.3177.1-122.9167.27.500114.6H44H44-Q46 PolarHBondContact O-N 2.96Å
47M43.7Very low60.7Low187 Ų187107.8 Ų107.892%0.92163%0.625SS**SBendtrans-98.897.6159.7-153.1136.8-142.400107.4
48G42.2Very low60.6Low58 Ų58104.9 Ų104.960%0.59861%0.613SS**  trans-55.6150.9171.300000110.8
49N48.8Very low61.1Low152 Ų152109.3 Ų109.381%0.81363%0.633SS**SBendtrans81.587.9167.8-52.7-14.1000115.9G51N49-G51 PolarHBondContact O-N 3.3Å
50E50.2Low61.8Low211 Ų211110.2 Ų110.299%0.98663%0.63SS**  51.31.7129.8-64.9-174.1160.100121.8
51G53Low62.3Low67 Ų67110.5 Ų110.569%0.69163%0.629SS**  trans-93.1113.9172.800000110.9N49N49-G51 PolarHBondContact O-N 3.3Å
52G58.1Low62.8Low72 Ų72109.9 Ų109.974%0.74263%0.63SS**PPolyproline II helixtrans-53.2171.215700000111.3S54G52-S54 PolarHBondContact O-N 3.15Å; G52-S54 VanDerWaalsContact O-N 3.11Å
53I64.9Low63.9Low76 Ų76107.5 Ų107.539%0.3962%0.619SS.*PPolyproline II helixtrans-58.2122.4171.9-56.1-169.7000107.6L38 F41 N57 V58L38-I53 HydrophobicContact CB-CD1 3.98Å; L38-I53 HydrophobicContact CD1-CB 3.8Å; L38-I53 HydrophobicContact CD1-CD1 3.84Å; L38-I53 HydrophobicContact CD1-CG1 4.05Å; L38-I53 HydrophobicContact CD1-CG2 4.37Å; L38-I53 HydrophobicContact CG-CD1 4.41Å; F41-I53 HydrophobicContact CB-CD1 4.02Å; I53-N57 HydrophobicContact CG2-CB 3.81Å; I53-V58 HydrophobicContact CB-CG2 4.36Å; I53-V58 HydrophobicContact CG2-CG2 3.75Å
54S72.4Confident65.1Low56 Ų56109.2 Ų109.239%0.39262%0.617SS.*PPolyproline II helixtrans-61.5146.4178.464.80000110.4G52 A56 N57 V58G52-S54 PolarHBondContact O-N 3.15Å; G52-S54 VanDerWaalsContact O-N 3.11Å; S54-A56 PolarHBondContact O-N 3.31Å; S54-N57 WeakPolarHBondContact O-CB 3.4Å; S54-N57 PolarHBondContact O-N 3.32Å; S54-N57 WeakPolarHBondContact OG-CB 3.49Å; S54-N57 PolarHBondContact OG-N 3.05Å; S54-N57 PolarHBondContact OG-ND2 2.9Å; S54-N57 VanDerWaalsContact OG-ND2 3.14Å; S54-V58 PolarHBondContact O-N 2.97Å; S54-V58 VanDerWaalsContact O-N 3.12Å
55E74.9Confident66.5Low169 Ų169101.8 Ų101.879%0.7958%0.584SS**Hα-helixtrans-55.4-39.5179.9-172.4171.9-167.600112N57 V58 E59E55-N57 VanDerWaalsContact C-N 3.33Å; E55-N57 PolarHBondContact O-N 2.92Å; E55-V58 WeakPolarHBondContact O-CB 3.4Å; E55-V58 PolarHBondContact O-N 2.82Å; E55-V58 VanDerWaalsContact O-N 3.13Å; E55-E59 PolarHBondContact O-N 2.8Å
56A79.3Confident68Low66 Ų66101.6 Ų101.655%0.54556%0.563SS.*Hα-helixtrans-60.9-37.2174.900000113.3S54 E59 L60S54-A56 PolarHBondContact O-N 3.31Å; A56-E59 PolarHBondContact O-N 3.36Å; A56-L60 WeakPolarHBondContact O-CB 3.5Å; A56-L60 PolarHBondContact O-N 3.01Å
57N77.1Confident69.5Low95 Ų9596.3 Ų96.351%0.50855%0.551SS.*Hα-helixtrans-70.5-34.9176.2-72.9-13000111.5I53 S54 E55 Y61I53-N57 HydrophobicContact CG2-CB 3.81Å; S54-N57 WeakPolarHBondContact O-CB 3.4Å; S54-N57 PolarHBondContact O-N 3.32Å; S54-N57 WeakPolarHBondContact OG-CB 3.49Å; S54-N57 PolarHBondContact OG-N 3.05Å; S54-N57 PolarHBondContact OG-ND2 2.9Å; S54-N57 VanDerWaalsContact OG-ND2 3.14Å; E55-N57 VanDerWaalsContact C-N 3.33Å; E55-N57 PolarHBondContact O-N 2.92Å; N57-Y61 WeakPolarHBondContact O-CB 3.33Å; N57-Y61 PolarHBondContact O-N 3.3Å; N57-Y61 VanDerWaalsContact O-N 3.13Å
58V76Confident71Confident33 Ų3389.4 Ų89.420%0.252%0.518CS..Hα-helixtrans-63.7-47173.3169.30000110.5F33 L38 I53 S54 E55 Y61 C62F33-V58 HydrophobicContact CD1-CB 4.2Å; F33-V58 HydrophobicContact CD1-CG1 3.54Å; F33-V58 HydrophobicContact CD1-CG2 4.05Å; F33-V58 HydrophobicContact CE1-CB 4.37Å; F33-V58 HydrophobicContact CE1-CG1 4.18Å; F33-V58 HydrophobicContact CE1-CG2 4.03Å; F33-V58 HydrophobicContact CG-CG1 4.4Å; L38-V58 HydrophobicContact CD1-CG2 3.85Å; I53-V58 HydrophobicContact CB-CG2 4.36Å; I53-V58 HydrophobicContact CG2-CG2 3.75Å; S54-V58 PolarHBondContact O-N 2.97Å; S54-V58 VanDerWaalsContact O-N 3.12Å; E55-V58 WeakPolarHBondContact O-CB 3.4Å; E55-V58 PolarHBondContact O-N 2.82Å; E55-V58 VanDerWaalsContact O-N 3.13Å; V58-Y61 PolarHBondContact O-N 3.46Å; V58-C62 PolarHBondContact O-N 3.12Å; V58-C62 PolarHBondContact O-SG 2.91Å; V58-C62 VanDerWaalsContact O-SG 3.34Å
59E80.8Confident72.3Confident120 Ų12092.3 Ų92.356%0.56152%0.516SS*.Hα-helixtrans-61.6-49.4-179.8-169.7168.5-153.300111.5E55 A56 Y61 C62 E63E55-E59 PolarHBondContact O-N 2.8Å; A56-E59 PolarHBondContact O-N 3.36Å; E59-Y61 VanDerWaalsContact C-N 3.26Å; E59-Y61 PolarHBondContact O-N 3.31Å; E59-C62 WeakPolarHBondContact O-CB 3.3Å; E59-C62 PolarHBondContact O-N 3.39Å; E59-C62 VanDerWaalsContact O-N 3.07Å; E59-E63 WeakPolarHBondContact O-CG 3.48Å; E59-E63 PolarHBondContact O-N 3.06Å
60L83.4Confident73.6Confident111 Ų11187.8 Ų87.858%0.58149%0.492SS*.Hα-helixtrans-57.4-39.4176.2-177.168.6000112.4A56 H64A56-L60 WeakPolarHBondContact O-CB 3.5Å; A56-L60 PolarHBondContact O-N 3.01Å; L60-H64 PolarHBondContact O-N 2.94Å
61Y79Confident75Confident77 Ų7779.8 Ų79.830%0.30245%0.454SS..Hα-helixtrans-69.5-40.7177.2-169.7-90.9000111.8F29 F33 F41 N57 V58 E59 H64 L65F29-Y61 HydrophobicContact CB-CE1 4.41Å; F29-Y61 VanDerWaalsContact CD2-OH 3.25Å; F29-Y61 WeakPolarHBondContact CD2-OH 3.11Å; F33-Y61 AromaticContact CD2-CD1 3.79Å; F33-Y61 HydrophobicContact CD2-CD1 3.79Å; F33-Y61 AromaticContact CD2-CE1 3.99Å; F33-Y61 HydrophobicContact CD2-CE1 3.99Å; F33-Y61 HydrophobicContact CE1-CD1 4.28Å; F33-Y61 AromaticContact CE2-CD1 3.09Å; F33-Y61 HydrophobicContact CE2-CD1 3.09Å; F33-Y61 AromaticContact CE2-CE1 3.18Å; F33-Y61 HydrophobicContact CE2-CE1 3.18Å; F33-Y61 HydrophobicContact CE2-CG 4.07Å; F33-Y61 AromaticContact CZ-CD1 3.38Å; F33-Y61 HydrophobicContact CZ-CD1 3.38Å; F33-Y61 AromaticContact CZ-CE1 3.79Å; F33-Y61 HydrophobicContact CZ-CE1 3.79Å; F33-Y61 AromaticContact CZ-CG 3.89Å; F33-Y61 HydrophobicContact CZ-CG 3.89Å; F41-Y61 HydrophobicContact CZ-CE1 4.42Å; N57-Y61 WeakPolarHBondContact O-CB 3.33Å; N57-Y61 PolarHBondContact O-N 3.3Å; N57-Y61 VanDerWaalsContact O-N 3.13Å; V58-Y61 PolarHBondContact O-N 3.46Å; E59-Y61 VanDerWaalsContact C-N 3.26Å; E59-Y61 PolarHBondContact O-N 3.31Å; Y61-H64 WeakPolarHBondContact O-CB 3.5Å; Y61-H64 PolarHBondContact O-N 3.39Å; Y61-L65 HydrophobicContact CD1-CD1 3.83Å; Y61-L65 HydrophobicContact CD1-CG 3.84Å; Y61-L65 HydrophobicContact CE1-CD1 3.5Å; Y61-L65 VanDerWaalsContact CE1-CD1 3.5Å; Y61-L65 HydrophobicContact CE1-CD2 3.81Å; Y61-L65 HydrophobicContact CE1-CG 3.53Å; Y61-L65 WeakPolarHBondContact O-CG 3.12Å; Y61-L65 PolarHBondContact O-N 3.15Å
62C77.7Confident76.3Confident39 Ų3979.5 Ų79.526%0.26444%0.439SS..Hα-helixtrans-60.1-45.3173.8-74.50000111.5V58 E59 H64 L65 E66V58-C62 PolarHBondContact O-N 3.12Å; V58-C62 PolarHBondContact O-SG 2.91Å; V58-C62 VanDerWaalsContact O-SG 3.34Å; E59-C62 WeakPolarHBondContact O-CB 3.3Å; E59-C62 PolarHBondContact O-N 3.39Å; E59-C62 VanDerWaalsContact O-N 3.07Å; C62-H64 VanDerWaalsContact C-N 3.31Å; C62-H64 PolarHBondContact O-N 3.2Å; C62-L65 WeakPolarHBondContact O-CB 3.39Å; C62-L65 PolarHBondContact O-N 3.44Å; C62-E66 WeakPolarHBondContact O-CG 3.27Å; C62-E66 PolarHBondContact O-N 2.96Å
63E82.7Confident77.5Confident115 Ų11585.7 Ų85.754%0.53744%0.44SS..Hα-helixtrans-58.5-43.3174.2-71.4-178.217000111.7E59 L65 E66 A67E59-E63 WeakPolarHBondContact O-CG 3.48Å; E59-E63 PolarHBondContact O-N 3.06Å; E63-L65 PolarHBondContact O-N 2.83Å; E63-E66 PolarHBondContact O-N 3.07Å; E63-A67 PolarHBondContact O-N 3.29Å
64H82Confident78.3Confident122 Ų12289.7 Ų89.757%0.56545%0.45SS*.Hα-helixtrans-62.6-43.5175.9-165.3119.9000111.8L60 Y61 C62 E66 A67 L68L60-H64 PolarHBondContact O-N 2.94Å; Y61-H64 WeakPolarHBondContact O-CB 3.5Å; Y61-H64 PolarHBondContact O-N 3.39Å; C62-H64 VanDerWaalsContact C-N 3.31Å; C62-H64 PolarHBondContact O-N 3.2Å; H64-E66 VanDerWaalsContact C-N 3.28Å; H64-E66 PolarHBondContact O-N 3.29Å; H64-A67 PolarHBondContact O-N 2.76Å; H64-L68 WeakPolarHBondContact O-CG 3.37Å; H64-L68 PolarHBondContact O-N 3.36Å
65L77.9Confident78.8Confident12 Ų1288.2 Ų88.26%0.06344%0.436CS..Hα-helixtrans-62.8-35.1175.1-73-174.2000112.2L26 F29 K30 Y61 C62 E63 L68 H69L26-L65 HydrophobicContact CD2-CD2 3.63Å; F29-L65 HydrophobicContact CB-CD1 4.1Å; K30-L65 HydrophobicContact CB-CD1 4.2Å; Y61-L65 HydrophobicContact CD1-CD1 3.83Å; Y61-L65 HydrophobicContact CD1-CG 3.84Å; Y61-L65 HydrophobicContact CE1-CD1 3.5Å; Y61-L65 VanDerWaalsContact CE1-CD1 3.5Å; Y61-L65 HydrophobicContact CE1-CD2 3.81Å; Y61-L65 HydrophobicContact CE1-CG 3.53Å; Y61-L65 WeakPolarHBondContact O-CG 3.12Å; Y61-L65 PolarHBondContact O-N 3.15Å; C62-L65 WeakPolarHBondContact O-CB 3.39Å; C62-L65 PolarHBondContact O-N 3.44Å; E63-L65 PolarHBondContact O-N 2.83Å; L65-L68 HydrophobicContact CD2-CD1 4.37Å; L65-L68 WeakPolarHBondContact O-CB 3.5Å; L65-L68 PolarHBondContact O-N 3.47Å; L65-H69 PolarHBondContact O-N 3.43Å
66E76.8Confident79.3Confident108 Ų10885.2 Ų85.251%0.50542%0.422SS..Hα-helixtrans-73.3-37176-71.5-167.3162.900112.3K30 C62 E63 H64 L68 H69K30-E66 IonicContact NZ-OE1 2.84Å; K30-E66 PolarHBondContact NZ-OE1 3.49Å; C62-E66 WeakPolarHBondContact O-CG 3.27Å; C62-E66 PolarHBondContact O-N 2.96Å; E63-E66 PolarHBondContact O-N 3.07Å; H64-E66 VanDerWaalsContact C-N 3.28Å; H64-E66 PolarHBondContact O-N 3.29Å; E66-L68 PolarHBondContact O-N 3.17Å; E66-H69 VanDerWaalsContact O-CB 3.23Å; E66-H69 WeakPolarHBondContact O-CB 3.42Å; E66-H69 PolarHBondContact O-N 3.47Å
67A79.1Confident79.5Confident76 Ų7688.1 Ų88.163%0.62843%0.429SS*.Hα-helixtrans-60.1-31.9169.600000111.7E63 H64 H69E63-A67 PolarHBondContact O-N 3.29Å; H64-A67 PolarHBondContact O-N 2.76Å; A67-H69 PolarHBondContact O-N 2.86Å
68L74.9Confident79.9Confident43 Ų4385.1 Ų85.123%0.22541%0.412CS..THydrogen-bonded Turntrans-71.8-4.8171.2-71.5169.7000114L26 H64 L65 E66 D70 F71L26-L68 HydrophobicContact CD1-CB 4.42Å; L26-L68 HydrophobicContact CD1-CD1 4.22Å; L26-L68 HydrophobicContact CD2-CD1 4.2Å; H64-L68 WeakPolarHBondContact O-CG 3.37Å; H64-L68 PolarHBondContact O-N 3.36Å; L65-L68 HydrophobicContact CD2-CD1 4.37Å; L65-L68 WeakPolarHBondContact O-CB 3.5Å; L65-L68 PolarHBondContact O-N 3.47Å; E66-L68 PolarHBondContact O-N 3.17Å; L68-D70 PolarHBondContact O-N 2.93Å; L68-D70 VanDerWaalsContact O-N 3.17Å; L68-F71 HydrophobicContact CD2-CD2 4.13Å; L68-F71 WeakPolarHBondContact O-CA 3.34Å; L68-F71 WeakPolarHBondContact O-CB 3.5Å; L68-F71 PolarHBondContact O-N 2.85Å
69H69.8Low80.2Confident119 Ų11985.6 Ų85.655%0.55141%0.413SS*.THydrogen-bonded Turntrans-57.8-29.5171-95.1-138.5000112.1L65 E66 A67 F71 T72L65-H69 PolarHBondContact O-N 3.43Å; E66-H69 VanDerWaalsContact O-CB 3.23Å; E66-H69 WeakPolarHBondContact O-CB 3.42Å; E66-H69 PolarHBondContact O-N 3.47Å; A67-H69 PolarHBondContact O-N 2.86Å; H69-F71 PolarHBondContact O-N 3.45Å; H69-F71 VanDerWaalsContact O-N 3.1Å; H69-T72 PolarHBondContact O-N 3.25Å; H69-T72 VanDerWaalsContact O-N 3.1Å; H69-T72 PolarHBondContact O-OG1 2.94Å
70D76.4Confident80.4Confident57 Ų5783 Ų8331%0.30541%0.408SS..Hα-helixtrans-60.4-19.2173.4-166.943.4000112.2L68 T72 R73 R74L68-D70 PolarHBondContact O-N 2.93Å; L68-D70 VanDerWaalsContact O-N 3.17Å; D70-T72 VanDerWaalsContact C-N 3.33Å; D70-T72 PolarHBondContact O-N 3.16Å; D70-R73 WeakPolarHBondContact O-CB 3.47Å; D70-R73 PolarHBondContact O-N 3.1Å; D70-R74 VanDerWaalsContact O-CG 3.27Å; D70-R74 WeakPolarHBondContact O-CG 3.41Å; D70-R74 PolarHBondContact O-N 2.98Å; D70-R74 IonicContact OD2-CZ 3.16Å; D70-R74 IonicContact OD2-NE 2.71Å; D70-R74 PolarHBondContact OD2-NE 3.31Å; D70-R74 IonicContact OD2-NH2 2.78Å; D70-R74 PolarHBondContact OD2-NH2 3.2Å
71F79.3Confident80.5Confident42 Ų4279.2 Ų79.218%0.18439%0.388CS..Hα-helixtrans-62.7-38.6174.9-144.9-96.5000111.9I19 F22 M23 L68 H69 R73 R74 F75I19-F71 HydrophobicContact CG2-CE1 4.46Å; F22-F71 HydrophobicContact CD1-CD1 4.34Å; F22-F71 AromaticContact CD1-CE1 3.83Å; F22-F71 HydrophobicContact CD1-CE1 3.83Å; F22-F71 HydrophobicContact CD1-CZ 4.26Å; F22-F71 HydrophobicContact CE1-CD1 4.31Å; F22-F71 AromaticContact CE1-CE1 3.91Å; F22-F71 HydrophobicContact CE1-CE1 3.91Å; F22-F71 HydrophobicContact CE1-CE2 4.49Å; F22-F71 HydrophobicContact CE1-CZ 4Å; M23-F71 HydrophobicContact SD-CB 4.43Å; M23-F71 HydrophobicContact SD-CD1 4.01Å; L68-F71 HydrophobicContact CD2-CD2 4.13Å; L68-F71 WeakPolarHBondContact O-CA 3.34Å; L68-F71 WeakPolarHBondContact O-CB 3.5Å; L68-F71 PolarHBondContact O-N 2.85Å; H69-F71 PolarHBondContact O-N 3.45Å; H69-F71 VanDerWaalsContact O-N 3.1Å; F71-R73 VanDerWaalsContact C-N 3.27Å; F71-R73 PolarHBondContact O-N 2.89Å; F71-R74 PolarHBondContact O-N 3.19Å; F71-F75 AromaticContact CD1-CD2 3.38Å; F71-F75 HydrophobicContact CD1-CD2 3.38Å; F71-F75 AromaticContact CD1-CE2 3.55Å; F71-F75 HydrophobicContact CD1-CE2 3.55Å; F71-F75 HydrophobicContact CD2-CD2 4.38Å; F71-F75 AromaticContact CD2-CE2 3.92Å; F71-F75 HydrophobicContact CD2-CE2 3.92Å; F71-F75 AromaticContact CE1-CD2 3.41Å; F71-F75 HydrophobicContact CE1-CD2 3.41Å; F71-F75 VanDerWaalsContact CE1-CD2 3.41Å; F71-F75 AromaticContact CE1-CE2 3.19Å; F71-F75 HydrophobicContact CE1-CE2 3.19Å; F71-F75 HydrophobicContact CE1-CZ 4.13Å; F71-F75 HydrophobicContact CE2-CD2 4.42Å; F71-F75 AromaticContact CE2-CE2 3.61Å; F71-F75 HydrophobicContact CE2-CE2 3.61Å; F71-F75 HydrophobicContact CE2-CZ 4.47Å; F71-F75 AromaticContact CG-CD2 3.9Å; F71-F75 HydrophobicContact CG-CD2 3.9Å; F71-F75 AromaticContact CG-CE2 3.9Å; F71-F75 HydrophobicContact CG-CE2 3.9Å; F71-F75 AromaticContact CZ-CD2 3.97Å; F71-F75 HydrophobicContact CZ-CD2 3.97Å; F71-F75 AromaticContact CZ-CE2 3.24Å; F71-F75 HydrophobicContact CZ-CE2 3.24Å; F71-F75 AromaticContact CZ-CZ 3.97Å; F71-F75 HydrophobicContact CZ-CZ 3.97Å; F71-F75 VanDerWaalsContact O-CD2 3.29Å; F71-F75 WeakPolarHBondContact O-CD2 3.37Å; F71-F75 PolarHBondContact O-N 2.81Å
72T78.8Confident80.7Confident62 Ų6280.5 Ų80.538%0.3840%0.404SS..Hα-helixtrans-61.8-40.3175.9-44.80000110.8M23 H69 D70 H76 L79M23-T72 WeakPolarHBondContact CE-OG1 3.22Å; H69-T72 PolarHBondContact O-N 3.25Å; H69-T72 VanDerWaalsContact O-N 3.1Å; H69-T72 PolarHBondContact O-OG1 2.94Å; D70-T72 VanDerWaalsContact C-N 3.33Å; D70-T72 PolarHBondContact O-N 3.16Å; T72-H76 WeakPolarHBondContact O-CA 3.31Å; T72-H76 PolarHBondContact O-N 3.33Å; T72-L79 HydrophobicContact CG2-CD1 4.44Å
73R83.4Confident80.8Confident202 Ų20280.3 Ų80.376%0.76240%0.4SS*.Hα-helixtrans-68-45177.5-175.4-177.1177.2-168.50.4111.4D70 F71 F75 H76D70-R73 WeakPolarHBondContact O-CB 3.47Å; D70-R73 PolarHBondContact O-N 3.1Å; F71-R73 VanDerWaalsContact C-N 3.27Å; F71-R73 PolarHBondContact O-N 2.89Å; R73-F75 VanDerWaalsContact C-N 3.25Å; R73-F75 PolarHBondContact O-N 3.29Å; R73-H76 WeakPolarHBondContact O-CB 3.33Å; R73-H76 PolarHBondContact O-N 2.81Å
74R82.1Confident80.7Confident159 Ų15975.4 Ų75.460%0.638%0.378SS*.Hα-helixtrans-62.8-29.9179.8-72.9175.8-169.3-164.74.5113.7D70 F71D70-R74 VanDerWaalsContact O-CG 3.27Å; D70-R74 WeakPolarHBondContact O-CG 3.41Å; D70-R74 PolarHBondContact O-N 2.98Å; D70-R74 IonicContact OD2-CZ 3.16Å; D70-R74 IonicContact OD2-NE 2.71Å; D70-R74 PolarHBondContact OD2-NE 3.31Å; D70-R74 IonicContact OD2-NH2 2.78Å; D70-R74 PolarHBondContact OD2-NH2 3.2Å; F71-R74 PolarHBondContact O-N 3.19Å
75F83.7Confident80.4Confident25 Ų2573.7 Ų73.711%0.1137%0.373CS..THydrogen-bonded Turntrans-113.518.1-178.9-64.3-73.7000112.9I19 F71 R73 D77 I78 L79I19-F75 HydrophobicContact CD1-CB 4.24Å; I19-F75 HydrophobicContact CD1-CD1 3.43Å; I19-F75 VanDerWaalsContact CD1-CD1 3.43Å; I19-F75 HydrophobicContact CD1-CE1 3.77Å; I19-F75 HydrophobicContact CD1-CG 3.87Å; I19-F75 HydrophobicContact CG2-CB 4.05Å; I19-F75 HydrophobicContact CG2-CD2 4.48Å; I19-F75 HydrophobicContact CG2-CG 4.22Å; F71-F75 AromaticContact CD1-CD2 3.38Å; F71-F75 HydrophobicContact CD1-CD2 3.38Å; F71-F75 AromaticContact CD1-CE2 3.55Å; F71-F75 HydrophobicContact CD1-CE2 3.55Å; F71-F75 HydrophobicContact CD2-CD2 4.38Å; F71-F75 AromaticContact CD2-CE2 3.92Å; F71-F75 HydrophobicContact CD2-CE2 3.92Å; F71-F75 AromaticContact CE1-CD2 3.41Å; F71-F75 HydrophobicContact CE1-CD2 3.41Å; F71-F75 VanDerWaalsContact CE1-CD2 3.41Å; F71-F75 AromaticContact CE1-CE2 3.19Å; F71-F75 HydrophobicContact CE1-CE2 3.19Å; F71-F75 HydrophobicContact CE1-CZ 4.13Å; F71-F75 HydrophobicContact CE2-CD2 4.42Å; F71-F75 AromaticContact CE2-CE2 3.61Å; F71-F75 HydrophobicContact CE2-CE2 3.61Å; F71-F75 HydrophobicContact CE2-CZ 4.47Å; F71-F75 AromaticContact CG-CD2 3.9Å; F71-F75 HydrophobicContact CG-CD2 3.9Å; F71-F75 AromaticContact CG-CE2 3.9Å; F71-F75 HydrophobicContact CG-CE2 3.9Å; F71-F75 AromaticContact CZ-CD2 3.97Å; F71-F75 HydrophobicContact CZ-CD2 3.97Å; F71-F75 AromaticContact CZ-CE2 3.24Å; F71-F75 HydrophobicContact CZ-CE2 3.24Å; F71-F75 AromaticContact CZ-CZ 3.97Å; F71-F75 HydrophobicContact CZ-CZ 3.97Å; F71-F75 VanDerWaalsContact O-CD2 3.29Å; F71-F75 WeakPolarHBondContact O-CD2 3.37Å; F71-F75 PolarHBondContact O-N 2.81Å; R73-F75 VanDerWaalsContact C-N 3.25Å; R73-F75 PolarHBondContact O-N 3.29Å; F75-D77 VanDerWaalsContact C-N 3.3Å; F75-D77 PolarHBondContact O-N 3.24Å; F75-I78 HydrophobicContact CD1-CD1 3.97Å; F75-I78 PolarHBondContact O-N 3.27Å; F75-L79 HydrophobicContact CB-CD1 4.25Å; F75-L79 HydrophobicContact CB-CG 4.35Å; F75-L79 WeakPolarHBondContact O-CB 3.49Å; F75-L79 VanDerWaalsContact O-CG 3.3Å; F75-L79 WeakPolarHBondContact O-CG 3.33Å; F75-L79 PolarHBondContact O-N 2.91Å
76H85.1Confident80.3Confident106 Ų10673.2 Ų73.249%0.49137%0.371SS..Hα-helixtrans-51.9-51-178.4174.9-89000110.9T72 R73 I78 L79 S80T72-H76 WeakPolarHBondContact O-CA 3.31Å; T72-H76 PolarHBondContact O-N 3.33Å; R73-H76 WeakPolarHBondContact O-CB 3.33Å; R73-H76 PolarHBondContact O-N 2.81Å; H76-I78 VanDerWaalsContact C-N 3.3Å; H76-I78 PolarHBondContact O-N 2.89Å; H76-L79 CarbonylContact O-C 3.34Å; H76-L79 PolarHBondContact O-N 2.6Å; H76-L79 VanDerWaalsContact O-N 3.1Å; H76-S80 WeakPolarHBondContact O-CB 3.42Å; H76-S80 PolarHBondContact O-N 2.69Å; H76-S80 PolarHBondContact O-OG 3.19Å
77D83.7Confident80.2Confident127 Ų12768.1 Ų68.168%0.67935%0.347SS*.Hα-helixtrans-62.4-37-175.4-55.2-25.2000112.6F75 S80 M81F75-D77 VanDerWaalsContact C-N 3.3Å; F75-D77 PolarHBondContact O-N 3.24Å; D77-S80 WeakPolarHBondContact CA-OG 3.43Å; D77-S80 PolarHBondContact O-OG 3.37Å; D77-M81 PolarHBondContact O-N 3.41Å
78I84.2Confident79.9Confident33 Ų3367.7 Ų67.717%0.16933%0.333CS..Hα-helixtrans-73.2-40.6176.8-52.4-171.5000110.7I15 K16 I19 F75 H76 M81I15-I78 HydrophobicContact CG2-CD1 3.87Å; I15-I78 HydrophobicContact CG2-CG2 4.11Å; K16-I78 HydrophobicContact CB-CG2 3.95Å; K16-I78 WeakPolarHBondContact CD-O 3.43Å; K16-I78 HydrophobicContact CG-CG2 4.46Å; K16-I78 WeakPolarHBondContact CG-O 3.49Å; I19-I78 HydrophobicContact CD1-CD1 4.09Å; I19-I78 HydrophobicContact CD1-CG2 4.18Å; F75-I78 HydrophobicContact CD1-CD1 3.97Å; F75-I78 PolarHBondContact O-N 3.27Å; H76-I78 VanDerWaalsContact C-N 3.3Å; H76-I78 PolarHBondContact O-N 2.89Å; I78-M81 WeakPolarHBondContact O-CB 3.42Å; I78-M81 PolarHBondContact O-N 2.93Å
79L82.4Confident79.8Confident42 Ų4270.5 Ų70.522%0.2234%0.344CS..Hα-helixtrans-71-35.3-179.8-71173.9000112K16 I19 T72 F75 H76 M81K16-L79 WeakPolarHBondContact CE-O 3.34Å; K16-L79 PolarHBondContact NZ-O 3.37Å; I19-L79 HydrophobicContact CB-CD2 4.44Å; I19-L79 HydrophobicContact CG2-CD1 4.32Å; I19-L79 HydrophobicContact CG2-CD2 3.82Å; I19-L79 HydrophobicContact CG2-CG 4.16Å; T72-L79 HydrophobicContact CG2-CD1 4.44Å; F75-L79 HydrophobicContact CB-CD1 4.25Å; F75-L79 HydrophobicContact CB-CG 4.35Å; F75-L79 WeakPolarHBondContact O-CB 3.49Å; F75-L79 VanDerWaalsContact O-CG 3.3Å; F75-L79 WeakPolarHBondContact O-CG 3.33Å; F75-L79 PolarHBondContact O-N 2.91Å; H76-L79 CarbonylContact O-C 3.34Å; H76-L79 PolarHBondContact O-N 2.6Å; H76-L79 VanDerWaalsContact O-N 3.1Å; L79-M81 VanDerWaalsContact C-N 3.3Å
80S86.6Confident79.3Confident65 Ų6565 Ų6546%0.45532%0.319SS..Hα-helixtrans-77.4-14177.762.90000113.6H76 D77 V82H76-S80 WeakPolarHBondContact O-CB 3.42Å; H76-S80 PolarHBondContact O-N 2.69Å; H76-S80 PolarHBondContact O-OG 3.19Å; D77-S80 WeakPolarHBondContact CA-OG 3.43Å; D77-S80 PolarHBondContact O-OG 3.37Å; S80-V82 PolarHBondContact O-N 2.97Å
81M84.2Confident78.4Confident32 Ų3267.7 Ų67.716%0.15833%0.332CS..  trans-58.1117.4-178.7-174.7176.56900111.5L12 K16 D77 I78 L79 I83 L140L12-M81 HydrophobicContact CB-CE 3.82Å; L12-M81 HydrophobicContact CB-SD 3.98Å; L12-M81 HydrophobicContact CD1-SD 4.04Å; K16-M81 HydrophobicContact CB-CE 4.14Å; K16-M81 HydrophobicContact CD-CE 4.13Å; K16-M81 PolarHBondContact NZ-O 2.93Å; D77-M81 PolarHBondContact O-N 3.41Å; I78-M81 WeakPolarHBondContact O-CB 3.42Å; I78-M81 PolarHBondContact O-N 2.93Å; L79-M81 VanDerWaalsContact C-N 3.3Å; M81-I83 HydrophobicContact CE-CD1 3.69Å; M81-I83 HydrophobicContact CE-CG1 3.75Å; M81-I83 PolarHBondContact O-N 2.86Å; M81-L140 HydrophobicContact CE-CD2 4.02Å; M81-L140 HydrophobicContact CG-CD2 4.16Å; M81-L140 HydrophobicContact SD-CD2 3.49Å; M81-L140 WeakPolarHBondContact SD-CD2 3.36Å
82V83Confident77.4Confident105 Ų10573.9 Ų73.964%0.63636%0.355SS*.  trans-76.8119.7176-179.80000108.6S80S80-V82 PolarHBondContact O-N 2.97Å
83I81.5Confident76.2Confident34 Ų3474.5 Ų74.517%0.17436%0.356CS..  trans-108.9111.9172-53.9169.4000105.9I13 K16 M81 V87 I88 L140I13-I83 HydrophobicContact CB-CD1 4.28Å; I13-I83 HydrophobicContact CG1-CD1 4.11Å; I13-I83 HydrophobicContact CG1-CG2 4.5Å; I13-I83 HydrophobicContact CG2-CD1 4.15Å; K16-I83 HydrophobicContact CB-CD1 4.4Å; K16-I83 HydrophobicContact CD-CD1 3.72Å; K16-I83 HydrophobicContact CD-CG1 4.34Å; M81-I83 HydrophobicContact CE-CD1 3.69Å; M81-I83 HydrophobicContact CE-CG1 3.75Å; M81-I83 PolarHBondContact O-N 2.86Å; I83-V87 HydrophobicContact CG2-CB 4.26Å; I83-I88 HydrophobicContact CG2-CD1 3.86Å; I83-I88 HydrophobicContact CG2-CG1 4.13Å; I83-L140 HydrophobicContact CG2-CD1 4.39Å
84S78.9Confident74.8Confident12 Ų1268.4 Ų68.48%0.08434%0.338CS..  trans-66145.6177.1-66.60000111.3W86 V87 D96S84-W86 PolarHBondContact O-N 3.44Å; S84-V87 WeakPolarHBondContact O-CB 3.31Å; S84-V87 PolarHBondContact O-N 3.27Å; S84-D96 VanDerWaalsContact CB-OD2 3.31Å; S84-D96 WeakPolarHBondContact CB-OD2 3.31Å
85D76.3Confident73.6Confident86 Ų8667.2 Ų67.246%0.4634%0.343SS..Hα-helixtrans-60.3-33.3-175.8-87.4-16.5000111.6V87 I88 K89 D96D85-V87 PolarHBondContact O-N 2.85Å; D85-I88 PolarHBondContact O-N 3.46Å; D85-K89 CarbonylContact O-C 3.59Å; D85-K89 WeakPolarHBondContact O-CA 3.5Å; D85-K89 PolarHBondContact O-N 3.37Å; D85-D96 PolarHBondContact N-OD2 3.44Å
86W75.2Confident72.2Confident3 Ų368.7 Ų68.71%0.01135%0.353CS..Hα-helixtrans-64.2-25.4179.970.8-96.7000113.3S84 I88 K89 P90 I99 L105 W121 A133 V136 V137S84-W86 PolarHBondContact O-N 3.44Å; W86-I88 VanDerWaalsContact C-N 3.32Å; W86-I88 PolarHBondContact O-N 2.96Å; W86-K89 CarbonylContact O-C 3.58Å; W86-P90 VanDerWaalsContact O-CA 3.29Å; W86-P90 WeakPolarHBondContact O-CA 3.4Å; W86-P90 WeakPolarHBondContact O-CD 3.42Å; W86-P90 WeakPolarHBondContact O-CG 3.42Å; W86-I99 HydrophobicContact CH2-CD1 4Å; W86-I99 HydrophobicContact CZ2-CD1 3.09Å; W86-L105 HydrophobicContact CB-CD2 4.03Å; W86-L105 HydrophobicContact CD2-CD2 3.77Å; W86-L105 HydrophobicContact CE3-CD2 3.74Å; W86-L105 HydrophobicContact CG-CD2 3.87Å; W86-L105 HydrophobicContact CZ3-CD2 4.48Å; W86-W121 HydrophobicContact CE3-CH2 4.49Å; W86-W121 HydrophobicContact CE3-CZ2 4.13Å; W86-W121 AromaticContact CZ3-CH2 3.65Å; W86-W121 HydrophobicContact CZ3-CH2 3.65Å; W86-W121 AromaticContact CZ3-CZ2 3.54Å; W86-W121 HydrophobicContact CZ3-CZ2 3.54Å; W86-A133 HydrophobicContact CH2-CB 3.98Å; W86-A133 HydrophobicContact CZ3-CB 3.91Å; W86-V136 HydrophobicContact CH2-CB 4.42Å; W86-V136 HydrophobicContact CZ2-CB 4.31Å; W86-V136 HydrophobicContact CZ2-CG1 4.13Å; W86-V137 HydrophobicContact CH2-CG2 3.47Å; W86-V137 VanDerWaalsContact CH2-CG2 3.47Å; W86-V137 HydrophobicContact CZ2-CG2 4.42Å; W86-V137 HydrophobicContact CZ3-CG2 3.74Å
87V75.9Confident70.8Confident1 Ų173 Ų731%0.00637%0.373CS..Hα-helixtrans-66.7-38.4177.8178.10000110.9I13 I83 S84 D85 Y117 W121 V137 L140I13-V87 HydrophobicContact CD1-CG1 3.74Å; I83-V87 HydrophobicContact CG2-CB 4.26Å; S84-V87 WeakPolarHBondContact O-CB 3.31Å; S84-V87 PolarHBondContact O-N 3.27Å; D85-V87 PolarHBondContact O-N 2.85Å; V87-Y117 WeakPolarHBondContact O-CB 3.49Å; V87-W121 PolarHBondContact O-NE1 3.34Å; V87-V137 HydrophobicContact CG1-CG1 4.4Å; V87-V137 HydrophobicContact CG1-CG2 4.03Å; V87-V137 HydrophobicContact CG2-CG2 4.05Å; V87-L140 HydrophobicContact CG1-CD1 4.03Å; V87-L140 HydrophobicContact CG2-CD1 4.14Å
88I72.4Confident69.4Low66 Ų6673.7 Ų73.734%0.33837%0.372SS..Hα-helixtrans-93.2-34.6-178.4-56.5168.9000110.5I13 I83 D85 W86I13-I88 HydrophobicContact CG2-CD1 4.14Å; I13-I88 HydrophobicContact CG2-CG1 4.33Å; I83-I88 HydrophobicContact CG2-CD1 3.86Å; I83-I88 HydrophobicContact CG2-CG1 4.13Å; D85-I88 PolarHBondContact O-N 3.46Å; W86-I88 VanDerWaalsContact C-N 3.32Å; W86-I88 PolarHBondContact O-N 2.96Å
89K72Confident67.9Low102 Ų10273.3 Ų73.344%0.44337%0.37SS..  trans-145.679.1-175.9-63-178.8-173.21670110.6D85 W86 L91 R92D85-K89 CarbonylContact O-C 3.59Å; D85-K89 WeakPolarHBondContact O-CA 3.5Å; D85-K89 PolarHBondContact O-N 3.37Å; W86-K89 CarbonylContact O-C 3.58Å; K89-L91 PolarHBondContact O-N 3.07Å; K89-R92 HydrophobicContact CB-CB 4.2Å; K89-R92 HydrophobicContact CB-CG 4.31Å; K89-R92 HydrophobicContact CD-CG 4.38Å; K89-R92 PolarHBondContact O-N 2.6Å
90P59.3Low66.1Low5 Ų576.3 Ų76.33%0.03239%0.394CS..G310 helixtrans-53.3-33.5178-19.727.3000112.4W86 R92 Q109 L113W86-P90 VanDerWaalsContact O-CA 3.29Å; W86-P90 WeakPolarHBondContact O-CA 3.4Å; W86-P90 WeakPolarHBondContact O-CD 3.42Å; W86-P90 WeakPolarHBondContact O-CG 3.42Å; P90-R92 VanDerWaalsContact C-N 3.26Å; P90-R92 PolarHBondContact O-N 2.98Å; P90-Q109 WeakPolarHBondContact O-CG 3.43Å; P90-Q109 PolarHBondContact O-NE2 3.26Å; P90-L113 HydrophobicContact CG-CD1 3.37Å; P90-L113 HydrophobicContact CG-CG 3.77Å
91L57.6Low64.6Low112 Ų11275.2 Ų75.259%0.58639%0.386SS*.G310 helixtrans-68.4-14.6-177.8-63176.4000114.9K89 Q109K89-L91 PolarHBondContact O-N 3.07Å; L91-Q109 HydrophobicContact CD2-CB 3.95Å; L91-Q109 HydrophobicContact CD2-CG 4.26Å; L91-Q109 WeakPolarHBondContact CD2-O 3.24Å
92R58.5Low63.6Low172 Ų17281 Ų8165%0.64941%0.41SS*.G310 helixtrans-101.7-20.2-166.2-77.4-160.8-174.8179-2.5117.1K89 P90K89-R92 HydrophobicContact CB-CB 4.2Å; K89-R92 HydrophobicContact CB-CG 4.31Å; K89-R92 HydrophobicContact CD-CG 4.38Å; K89-R92 PolarHBondContact O-N 2.6Å; P90-R92 VanDerWaalsContact C-N 3.26Å; P90-R92 PolarHBondContact O-N 2.98Å
93N53.7Low62.8Low76 Ų7682 Ų8241%0.40641%0.412SS..  trans-162.5128178.1-104.9-23.6000113
94L54.7Low62.4Low73 Ų7381.7 Ų81.738%0.38241%0.41SS..  trans-102.52.7174.1-80.6164.6000112.7D96 L105 L106L94-D96 PolarHBondContact O-N 2.94Å; L94-L105 HydrophobicContact CD2-CB 3.75Å; L94-L105 HydrophobicContact CD2-CD1 4.3Å; L94-L106 HydrophobicContact CD1-CD2 4.13Å
95D57.3Low62Low134 Ų13481.7 Ų81.772%0.71741%0.409SS*.  trans-78-4.4-176.3-68.9-27.5000113.4E97D95-E97 PolarHBondContact O-N 3.29Å
96D54.3Low61.6Low57 Ų5781.9 Ų81.931%0.30541%0.409SS..  trans-74.991.5176.5-77.7-25.8000110.3S84 D85 L94 Q98S84-D96 VanDerWaalsContact CB-OD2 3.31Å; S84-D96 WeakPolarHBondContact CB-OD2 3.31Å; D85-D96 PolarHBondContact N-OD2 3.44Å; L94-D96 PolarHBondContact O-N 2.94Å; D96-Q98 PolarHBondContact O-N 2.96Å
97E55.7Low61.3Low195 Ų19586.3 Ų86.391%0.91143%0.43SS*.THydrogen-bonded Turntrans-59.5-4.6178.1-72.2176.4148.100115D95 I99D95-E97 PolarHBondContact O-N 3.29Å; E97-I99 VanDerWaalsContact C-N 3.27Å; E97-I99 PolarHBondContact O-N 3.44Å
98Q54.8Low61Low142 Ų14286.4 Ų86.466%0.66443%0.43SS*.THydrogen-bonded Turntrans-71.4-18.2-173.1-75.2-169.982.200114D96D96-Q98 PolarHBondContact O-N 2.96Å
99I50.7Low60.6Low26 Ų2685.6 Ų85.613%0.13343%0.425CS..SBendtrans-140.2106.6-176.4-55164.7000109.5W86 E97 V136W86-I99 HydrophobicContact CH2-CD1 4Å; W86-I99 HydrophobicContact CZ2-CD1 3.09Å; E97-I99 VanDerWaalsContact C-N 3.27Å; E97-I99 PolarHBondContact O-N 3.44Å; I99-V136 HydrophobicContact CD1-CB 3.96Å; I99-V136 HydrophobicContact CD1-CG1 3.95Å; I99-V136 HydrophobicContact CD1-CG2 3.58Å; I99-V136 HydrophobicContact CG1-CG2 4.08Å
100S45.9Very low60.3Low104 Ų10485.2 Ų85.273%0.72744%0.436SS*.  trans-99.6126.6156.669.70000107.6
101P54Low60.5Low43 Ų4387.9 Ų87.928%0.27945%0.45SS..  -109.8125.559.3-2.223000111.4D103 E104 L105P101-D103 HydrophobicContact CB-CB 4.5Å; P101-D103 PolarHBondContact O-N 3.17Å; P101-E104 HydrophobicContact CB-CG 4.34Å; P101-E104 HydrophobicContact CG-CG 3.9Å; P101-E104 PolarHBondContact O-N 2.85Å; P101-E104 VanDerWaalsContact O-N 3.11Å; P101-L105 PolarHBondContact O-N 3.12Å
102K63.2Low60.5Low154 Ų15483.8 Ų83.867%0.6743%0.434SS*.Hα-helixtrans-50.6-28.3169.9-77.5-178.9173177.70111.8L105 L106K102-L105 PolarHBondContact O-N 3.27Å; K102-L106 WeakPolarHBondContact O-CB 3.44Å; K102-L106 WeakPolarHBondContact O-CD1 3.24Å; K102-L106 WeakPolarHBondContact O-CG 3.5Å; K102-L106 PolarHBondContact O-N 3.17Å
103D67.1Low60.4Low126 Ų12677.2 Ų77.267%0.67441%0.412SS*.Hα-helixtrans-65.3-47.5179.2-54.9-45.4000112.6P101 L105 L106 E107P101-D103 HydrophobicContact CB-CB 4.5Å; P101-D103 PolarHBondContact O-N 3.17Å; D103-L105 VanDerWaalsContact C-N 3.3Å; D103-L105 PolarHBondContact O-N 3.08Å; D103-L106 PolarHBondContact O-N 3.12Å; D103-E107 PolarHBondContact O-N 3.2Å; D103-E107 VanDerWaalsContact O-N 3.09Å
104E73.8Confident60.7Low27 Ų2779.1 Ų79.113%0.12643%0.431CS..Hα-helixtrans-60.1-43.4176.9-70.9-175.7-164.200110.4P101 E107 L108 Y130 P131 G132 A133P101-E104 HydrophobicContact CB-CG 4.34Å; P101-E104 HydrophobicContact CG-CG 3.9Å; P101-E104 PolarHBondContact O-N 2.85Å; P101-E104 VanDerWaalsContact O-N 3.11Å; E104-E107 PolarHBondContact O-N 3.33Å; E104-L108 WeakPolarHBondContact O-CB 3.46Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 WeakPolarHBondContact O-CG 3.47Å; E104-L108 PolarHBondContact O-N 2.93Å; E104-Y130 HydrophobicContact CB-CD1 3.91Å; E104-Y130 HydrophobicContact CG-CD1 4.13Å; E104-Y130 WeakPolarHBondContact OE2-CA 3.37Å; E104-P131 WeakPolarHBondContact OE1-CD 3.2Å; E104-G132 PolarHBondContact OE1-N 3.15Å; E104-G132 PolarHBondContact OE2-N 3.38Å; E104-A133 PolarHBondContact OE2-N 3.33Å
105L69Low61.2Low12 Ų1282 Ų826%0.06344%0.443CS..Hα-helixtrans-67.8-39.5179.6-78.6166.4000113.2W86 L94 P101 K102 D103 E107 L108 Q109W86-L105 HydrophobicContact CB-CD2 4.03Å; W86-L105 HydrophobicContact CD2-CD2 3.77Å; W86-L105 HydrophobicContact CE3-CD2 3.74Å; W86-L105 HydrophobicContact CG-CD2 3.87Å; W86-L105 HydrophobicContact CZ3-CD2 4.48Å; L94-L105 HydrophobicContact CD2-CB 3.75Å; L94-L105 HydrophobicContact CD2-CD1 4.3Å; P101-L105 PolarHBondContact O-N 3.12Å; K102-L105 PolarHBondContact O-N 3.27Å; D103-L105 VanDerWaalsContact C-N 3.3Å; D103-L105 PolarHBondContact O-N 3.08Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-L108 HydrophobicContact CD2-CD1 4.28Å; L105-L108 WeakPolarHBondContact O-CB 3.47Å; L105-L108 PolarHBondContact O-N 3.15Å; L105-Q109 WeakPolarHBondContact O-CG 3.48Å; L105-Q109 PolarHBondContact O-N 3.19Å
106L68.3Low61.9Low90 Ų9077.1 Ų77.147%0.47143%0.425SS..Hα-helixtrans-62.9-41176.3-79165000111.2L94 K102 D103 Q109 S110L94-L106 HydrophobicContact CD1-CD2 4.13Å; K102-L106 WeakPolarHBondContact O-CB 3.44Å; K102-L106 WeakPolarHBondContact O-CD1 3.24Å; K102-L106 WeakPolarHBondContact O-CG 3.5Å; K102-L106 PolarHBondContact O-N 3.17Å; D103-L106 PolarHBondContact O-N 3.12Å; L106-Q109 WeakPolarHBondContact O-CB 3.33Å; L106-Q109 PolarHBondContact O-N 3.34Å; L106-S110 PolarHBondContact O-N 3.28Å
107E68.9Low62.8Low96 Ų9676.3 Ų76.345%0.44942%0.418SS..Hα-helixtrans-69.8-39177.7-161.8-177.3157.500111.8D103 E104 L105 Q109 S110 N111 Y130D103-E107 PolarHBondContact O-N 3.2Å; D103-E107 VanDerWaalsContact O-N 3.09Å; E104-E107 PolarHBondContact O-N 3.33Å; L105-E107 VanDerWaalsContact C-N 3.32Å; E107-Q109 PolarHBondContact O-N 3.22Å; E107-S110 WeakPolarHBondContact O-CA 3.32Å; E107-S110 WeakPolarHBondContact O-CB 3.41Å; E107-S110 PolarHBondContact O-N 3.07Å; E107-S110 PolarHBondContact O-OG 3.46Å; E107-N111 PolarHBondContact O-N 3.45Å; E107-Y130 HydrophobicContact CB-CE1 3.94Å; E107-Y130 HydrophobicContact CG-CE1 4.17Å; E107-Y130 PolarHBondContact OE1-OH 3.19Å
108L69.5Low63.7Low2 Ų269.3 Ų69.31%0.0139%0.385CS..Hα-helixtrans-58.9-28.4171.7-76.3169.7000113.7E104 L105 N111 F120 W121 Y130 A133E104-L108 WeakPolarHBondContact O-CB 3.46Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 WeakPolarHBondContact O-CG 3.47Å; E104-L108 PolarHBondContact O-N 2.93Å; L105-L108 HydrophobicContact CD2-CD1 4.28Å; L105-L108 WeakPolarHBondContact O-CB 3.47Å; L105-L108 PolarHBondContact O-N 3.15Å; L108-N111 VanDerWaalsContact C-OD1 3.28Å; L108-N111 VanDerWaalsContact CA-OD1 3.27Å; L108-N111 WeakPolarHBondContact CA-OD1 3.11Å; L108-N111 PolarHBondContact O-OD1 2.71Å; L108-F120 HydrophobicContact CD2-CE1 3.3Å; L108-F120 HydrophobicContact CD2-CE2 4.3Å; L108-F120 HydrophobicContact CD2-CZ 3.14Å; L108-W121 HydrophobicContact CD1-CH2 3.82Å; L108-W121 HydrophobicContact CD2-CH2 4.03Å; L108-Y130 HydrophobicContact CD1-CD1 4.45Å; L108-Y130 HydrophobicContact CD1-CG 4.26Å; L108-Y130 HydrophobicContact CD2-CD1 4.36Å; L108-Y130 HydrophobicContact CD2-CD2 3.52Å; L108-Y130 HydrophobicContact CD2-CE1 4.45Å; L108-Y130 HydrophobicContact CD2-CE2 3.59Å; L108-Y130 HydrophobicContact CD2-CG 3.93Å; L108-Y130 HydrophobicContact CG-CD1 4.03Å; L108-Y130 HydrophobicContact CG-CD2 4.09Å; L108-Y130 HydrophobicContact CG-CE1 4.17Å; L108-Y130 HydrophobicContact CG-CE2 4.2Å; L108-Y130 HydrophobicContact CG-CG 4.01Å; L108-A133 HydrophobicContact CD1-CB 3.95Å
109Q64.7Low64.6Low49 Ų4968 Ų6823%0.22938%0.379CS..Hα-helixtrans-72.9-32.7172.3-72.3-175.3-16.600111.8P90 L91 L105 L106 E107P90-Q109 WeakPolarHBondContact O-CG 3.43Å; P90-Q109 PolarHBondContact O-NE2 3.26Å; L91-Q109 HydrophobicContact CD2-CB 3.95Å; L91-Q109 HydrophobicContact CD2-CG 4.26Å; L91-Q109 WeakPolarHBondContact CD2-O 3.24Å; L105-Q109 WeakPolarHBondContact O-CG 3.48Å; L105-Q109 PolarHBondContact O-N 3.19Å; L106-Q109 WeakPolarHBondContact O-CB 3.33Å; L106-Q109 PolarHBondContact O-N 3.34Å; E107-Q109 PolarHBondContact O-N 3.22Å
110S64.4Low65.9Low95 Ų9567.2 Ų67.266%0.66437%0.374SS*.Hα-helixtrans-78.5-36.5-177.479.10000113.3L106 E107 G112L106-S110 PolarHBondContact O-N 3.28Å; E107-S110 WeakPolarHBondContact O-CA 3.32Å; E107-S110 WeakPolarHBondContact O-CB 3.41Å; E107-S110 PolarHBondContact O-N 3.07Å; E107-S110 PolarHBondContact O-OG 3.46Å; S110-G112 VanDerWaalsContact C-N 3.27Å; S110-G112 PolarHBondContact O-N 3.21Å
111N63.4Low67.5Low61 Ų6162.3 Ų62.333%0.32634%0.34SS..SBendtrans-81.5-3.9-173.566.37.6000113.9E107 L108 Y130E107-N111 PolarHBondContact O-N 3.45Å; L108-N111 VanDerWaalsContact C-OD1 3.28Å; L108-N111 VanDerWaalsContact CA-OD1 3.27Å; L108-N111 WeakPolarHBondContact CA-OD1 3.11Å; L108-N111 PolarHBondContact O-OD1 2.71Å; N111-Y130 WeakPolarHBondContact ND2-CE2 3.29Å; N111-Y130 PolarHBondContact ND2-OH 3.28Å
112G57.6Low68.7Low26 Ų2666.5 Ų66.527%0.26836%0.359SS..  trans63.5104.3158.900000115.3S110 S114S110-G112 VanDerWaalsContact C-N 3.27Å; S110-G112 PolarHBondContact O-N 3.21Å; G112-S114 PolarHBondContact O-N 3.48Å; G112-S114 PolarHBondContact O-OG 3.16Å
113L58.4Low69.5Low33 Ų3362.8 Ų62.817%0.17334%0.344CS..  trans-63.941.3165.8-69.8-167.3000114.4P90 Q115 G116 F120P90-L113 HydrophobicContact CG-CD1 3.37Å; P90-L113 HydrophobicContact CG-CG 3.77Å; L113-Q115 PolarHBondContact O-N 3.36Å; L113-Q115 VanDerWaalsContact O-N 3.15Å; L113-G116 PolarHBondContact O-N 3.03Å; L113-F120 HydrophobicContact CD2-CB 3.04Å; L113-F120 HydrophobicContact CD2-CD1 3.42Å; L113-F120 VanDerWaalsContact CD2-CD1 3.42Å; L113-F120 HydrophobicContact CD2-CD2 3.72Å; L113-F120 HydrophobicContact CD2-CE1 4.33Å; L113-F120 HydrophobicContact CD2-CG 3.07Å; L113-F120 HydrophobicContact CG-CG 4.48Å
114S59.8Low70.3Confident117 Ų11765 Ų6582%0.81835%0.348SS*.THydrogen-bonded Turntrans-56.2-30.3178.851.90000112.6G112G112-S114 PolarHBondContact O-N 3.48Å; G112-S114 PolarHBondContact O-OG 3.16Å
115Q65.3Low70.7Confident132 Ų13268.5 Ų68.562%0.61736%0.364SS*.THydrogen-bonded Turntrans-951.8179.7-70.7-174-11.500114.7L113 Q119L113-Q115 PolarHBondContact O-N 3.36Å; L113-Q115 VanDerWaalsContact O-N 3.15Å; Q115-Q119 HydrophobicContact CB-CB 4.32Å
116G70.4Confident71.3Confident33 Ų3368 Ų6834%0.3436%0.362SS..  trans91.2151.1-177.200000113.8L113 Q118 Q119 F120L113-G116 PolarHBondContact O-N 3.03Å; G116-Q118 PolarHBondContact O-N 3.23Å; G116-Q119 PolarHBondContact O-N 3.42Å; G116-F120 PolarHBondContact O-N 2.84Å
117Y74.6Confident71.9Confident40 Ų4065.9 Ų65.916%0.15735%0.353CS..Hα-helixtrans-57.6-41.8-169.373.9-86.9000113.5I13 V87 Q119 F120 W121 L141I13-Y117 HydrophobicContact CD1-CD2 4.45Å; I13-Y117 HydrophobicContact CD1-CE2 3.87Å; V87-Y117 WeakPolarHBondContact O-CB 3.49Å; Y117-Q119 PolarHBondContact O-N 3.05Å; Y117-F120 PolarHBondContact O-N 2.92Å; Y117-W121 WeakPolarHBondContact O-CB 3.47Å; Y117-W121 PolarHBondContact O-N 3.28Å; Y117-L141 HydrophobicContact CE2-CD2 4.27Å
118Q73.6Confident72.7Confident47 Ų4768.8 Ų68.822%0.2237%0.367CS..Hα-helixtrans-62-46.4-178.2-65.2-169.3-81.400112.2N11 G116 F120 W121 L122N11-Q118 PolarHBondContact ND2-NE2 2.92Å; N11-Q118 VanDerWaalsContact ND2-NE2 3.19Å; G116-Q118 PolarHBondContact O-N 3.23Å; Q118-F120 VanDerWaalsContact C-N 3.33Å; Q118-F120 PolarHBondContact O-N 3.28Å; Q118-W121 PolarHBondContact O-N 2.9Å; Q118-L122 WeakPolarHBondContact O-CB 3.12Å; Q118-L122 WeakPolarHBondContact O-CD1 3.39Å; Q118-L122 WeakPolarHBondContact O-CG 3.5Å; Q118-L122 PolarHBondContact O-N 3.19Å; Q118-L122 VanDerWaalsContact O-N 3.12Å
119Q74.8Confident73.2Confident116 Ų11673 Ų7354%0.54239%0.389SS..Hα-helixtrans-66.4-39.5-178-70.6-159.9-21.800111.7Q115 G116 Y117 L122 Q123Q115-Q119 HydrophobicContact CB-CB 4.32Å; G116-Q119 PolarHBondContact O-N 3.42Å; Y117-Q119 PolarHBondContact O-N 3.05Å; Q119-L122 PolarHBondContact O-N 2.79Å; Q119-Q123 PolarHBondContact O-N 2.89Å
120F78.2Confident74Confident9 Ų970.8 Ų70.84%0.03938%0.378CS..Hα-helixtrans-60.4-52.9175.2173.8-95.5000112L108 L113 G116 Y117 Q118 L122 Q123 V126 Y130L108-F120 HydrophobicContact CD2-CE1 3.3Å; L108-F120 HydrophobicContact CD2-CE2 4.3Å; L108-F120 HydrophobicContact CD2-CZ 3.14Å; L113-F120 HydrophobicContact CD2-CB 3.04Å; L113-F120 HydrophobicContact CD2-CD1 3.42Å; L113-F120 VanDerWaalsContact CD2-CD1 3.42Å; L113-F120 HydrophobicContact CD2-CD2 3.72Å; L113-F120 HydrophobicContact CD2-CE1 4.33Å; L113-F120 HydrophobicContact CD2-CG 3.07Å; L113-F120 HydrophobicContact CG-CG 4.48Å; G116-F120 PolarHBondContact O-N 2.84Å; Y117-F120 PolarHBondContact O-N 2.92Å; Q118-F120 VanDerWaalsContact C-N 3.33Å; Q118-F120 PolarHBondContact O-N 3.28Å; F120-L122 PolarHBondContact O-N 2.78Å; F120-L122 VanDerWaalsContact O-N 3.16Å; F120-Q123 VanDerWaalsContact O-CB 3.22Å; F120-Q123 WeakPolarHBondContact O-CB 3.16Å; F120-Q123 VanDerWaalsContact O-CG 3.28Å; F120-Q123 WeakPolarHBondContact O-CG 3.47Å; F120-Q123 PolarHBondContact O-N 3.09Å; F120-V126 HydrophobicContact CD1-CG2 4.38Å; F120-V126 HydrophobicContact CE1-CG1 4.17Å; F120-V126 HydrophobicContact CE1-CG2 3.85Å; F120-V126 HydrophobicContact CE2-CG2 4Å; F120-V126 HydrophobicContact CZ-CG2 3.59Å; F120-V126 WeakPolarHBondContact O-CG2 3.47Å; F120-Y130 HydrophobicContact CZ-CD2 4.29Å; F120-Y130 HydrophobicContact CZ-CE2 4.01Å
121W79.6Confident74.9Confident0 Ų069.8 Ų69.80%037%0.37CS..Hα-helixtrans-66.2-20.6-177.1-71.7122.9000113.2W86 V87 L108 Y117 Q118 Q123 V126 A133 W134 V137 L141W86-W121 HydrophobicContact CE3-CH2 4.49Å; W86-W121 HydrophobicContact CE3-CZ2 4.13Å; W86-W121 AromaticContact CZ3-CH2 3.65Å; W86-W121 HydrophobicContact CZ3-CH2 3.65Å; W86-W121 AromaticContact CZ3-CZ2 3.54Å; W86-W121 HydrophobicContact CZ3-CZ2 3.54Å; V87-W121 PolarHBondContact O-NE1 3.34Å; L108-W121 HydrophobicContact CD1-CH2 3.82Å; L108-W121 HydrophobicContact CD2-CH2 4.03Å; Y117-W121 WeakPolarHBondContact O-CB 3.47Å; Y117-W121 PolarHBondContact O-N 3.28Å; Q118-W121 PolarHBondContact O-N 2.9Å; W121-Q123 VanDerWaalsContact C-N 3.32Å; W121-V126 HydrophobicContact CD2-CG1 4.48Å; W121-V126 HydrophobicContact CE3-CG1 3.37Å; W121-V126 HydrophobicContact CZ3-CG1 3.59Å; W121-A133 HydrophobicContact CH2-CB 3.88Å; W121-A133 HydrophobicContact CZ3-CB 4.18Å; W121-W134 HydrophobicContact CB-CZ3 4.06Å; W121-W134 AromaticContact CE3-CE3 3.96Å; W121-W134 HydrophobicContact CE3-CE3 3.96Å; W121-W134 HydrophobicContact CE3-CZ3 4.43Å; W121-W134 WeakPolarHBondContact O-CH2 3.46Å; W121-W134 WeakPolarHBondContact O-CZ3 3.22Å; W121-V137 HydrophobicContact CB-CG1 4.18Å; W121-V137 HydrophobicContact CD2-CB 4.12Å; W121-V137 HydrophobicContact CD2-CG1 3.66Å; W121-V137 HydrophobicContact CD2-CG2 4.07Å; W121-V137 HydrophobicContact CE3-CB 4.18Å; W121-V137 HydrophobicContact CE3-CG1 4.14Å; W121-V137 HydrophobicContact CE3-CG2 4.23Å; W121-V137 HydrophobicContact CG-CG1 3.63Å; W121-V137 HydrophobicContact CH2-CG2 4.04Å; W121-V137 HydrophobicContact CZ2-CG2 3.79Å; W121-V137 HydrophobicContact CZ3-CG2 4.22Å; W121-L141 HydrophobicContact CB-CD1 3.37Å; W121-L141 HydrophobicContact CG-CD1 4.06Å
122L78.6Confident75.8Confident131 Ų13168.4 Ų68.469%0.68637%0.37SS*.THydrogen-bonded Turntrans-85-1.4174.5-68.7172.2000113.8Q118 Q119 F120Q118-L122 WeakPolarHBondContact O-CB 3.12Å; Q118-L122 WeakPolarHBondContact O-CD1 3.39Å; Q118-L122 WeakPolarHBondContact O-CG 3.5Å; Q118-L122 PolarHBondContact O-N 3.19Å; Q118-L122 VanDerWaalsContact O-N 3.12Å; Q119-L122 PolarHBondContact O-N 2.79Å; F120-L122 PolarHBondContact O-N 2.78Å; F120-L122 VanDerWaalsContact O-N 3.16Å
123Q79.3Confident76.9Confident76 Ų7667.2 Ų67.236%0.35536%0.358SS..SBendtrans-65.5143.8174.3-68.8177.44.500110.6Q119 F120 W121 E125 V126 P127Q119-Q123 PolarHBondContact O-N 2.89Å; F120-Q123 VanDerWaalsContact O-CB 3.22Å; F120-Q123 WeakPolarHBondContact O-CB 3.16Å; F120-Q123 VanDerWaalsContact O-CG 3.28Å; F120-Q123 WeakPolarHBondContact O-CG 3.47Å; F120-Q123 PolarHBondContact O-N 3.09Å; W121-Q123 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.04Å; Q123-V126 HydrophobicContact CB-CB 4.48Å; Q123-V126 HydrophobicContact CB-CG2 3.87Å; Q123-V126 PolarHBondContact O-N 3.25Å; Q123-P127 VanDerWaalsContact O-CD 3.3Å; Q123-P127 WeakPolarHBondContact O-CD 3.18Å
124K83.9Confident78Confident172 Ų17268.5 Ų68.575%0.74836%0.36SS*.SBendtrans-68.1-29.4-174.2-172.1-177.7175-170.60111.9
125E82.2Confident79.1Confident102 Ų10264.6 Ų64.648%0.47734%0.338SS..SBendtrans-78.8-25.9-175.9-56.975.9-166.100111.9Q123 E128 L129Q123-E125 PolarHBondContact O-N 3.04Å; E125-E128 PolarHBondContact O-N 3.05Å; E125-E128 VanDerWaalsContact O-N 3.09Å; E125-L129 HydrophobicContact CB-CD1 3.94Å; E125-L129 HydrophobicContact CB-CG 4.44Å; E125-L129 WeakPolarHBondContact O-CB 3.44Å; E125-L129 WeakPolarHBondContact O-CG 2.96Å; E125-L129 PolarHBondContact O-N 3.11Å
126V81.3Confident79.8Confident1 Ų161 Ų611%0.00633%0.325CS..Hα-helixtrans-63.5-43.7-172.3164.60000113.8F120 W121 Q123 E128 L129 Y130 W134F120-V126 HydrophobicContact CD1-CG2 4.38Å; F120-V126 HydrophobicContact CE1-CG1 4.17Å; F120-V126 HydrophobicContact CE1-CG2 3.85Å; F120-V126 HydrophobicContact CE2-CG2 4Å; F120-V126 HydrophobicContact CZ-CG2 3.59Å; F120-V126 WeakPolarHBondContact O-CG2 3.47Å; W121-V126 HydrophobicContact CD2-CG1 4.48Å; W121-V126 HydrophobicContact CE3-CG1 3.37Å; W121-V126 HydrophobicContact CZ3-CG1 3.59Å; Q123-V126 HydrophobicContact CB-CB 4.48Å; Q123-V126 HydrophobicContact CB-CG2 3.87Å; Q123-V126 PolarHBondContact O-N 3.25Å; V126-E128 PolarHBondContact O-N 3.46Å; V126-L129 PolarHBondContact O-N 3.26Å; V126-Y130 HydrophobicContact CG1-CD2 4.25Å; V126-Y130 HydrophobicContact CG2-CD2 4.38Å; V126-Y130 PolarHBondContact O-N 3.29Å; V126-W134 HydrophobicContact CG1-CE3 4.33Å
127P82.2Confident80.2Confident45 Ų4559.4 Ų59.429%0.29231%0.309SS..Hα-helixtrans-59.3-28.5173.1-2634.8000114.3Q123 W134Q123-P127 VanDerWaalsContact O-CD 3.3Å; Q123-P127 WeakPolarHBondContact O-CD 3.18Å; P127-W134 HydrophobicContact CB-CD2 4.36Å; P127-W134 HydrophobicContact CB-CG 4.02Å; P127-W134 HydrophobicContact CG-CD2 3.98Å; P127-W134 HydrophobicContact CG-CG 4.17Å; P127-W134 HydrophobicContact CG-CZ2 4.12Å
128E84.2Confident80.5Confident158 Ų15859.5 Ų59.574%0.73831%0.314SS*.Hα-helixtrans-86-39.6-179.5-63.4-176.6176.300111.9E125 V126E125-E128 PolarHBondContact O-N 3.05Å; E125-E128 VanDerWaalsContact O-N 3.09Å; V126-E128 PolarHBondContact O-N 3.46Å
129L81.2Confident80.8Confident89 Ų8962.5 Ų62.547%0.46633%0.331SS..Hα-helixtrans-76.8-36.9-179.4-67.7174.2000112.7E125 V126 P131E125-L129 HydrophobicContact CB-CD1 3.94Å; E125-L129 HydrophobicContact CB-CG 4.44Å; E125-L129 WeakPolarHBondContact O-CB 3.44Å; E125-L129 WeakPolarHBondContact O-CG 2.96Å; E125-L129 PolarHBondContact O-N 3.11Å; V126-L129 PolarHBondContact O-N 3.26Å; L129-P131 VanDerWaalsContact C-CD 3.46Å
130Y82.2Confident80.9Confident3 Ų357.7 Ų57.71%0.01231%0.309CS..  trans-130.661.1-172.2-45.2-62.4000111E104 E107 L108 N111 F120 V126 G132 A133 W134E104-Y130 HydrophobicContact CB-CD1 3.91Å; E104-Y130 HydrophobicContact CG-CD1 4.13Å; E104-Y130 WeakPolarHBondContact OE2-CA 3.37Å; E107-Y130 HydrophobicContact CB-CE1 3.94Å; E107-Y130 HydrophobicContact CG-CE1 4.17Å; E107-Y130 PolarHBondContact OE1-OH 3.19Å; L108-Y130 HydrophobicContact CD1-CD1 4.45Å; L108-Y130 HydrophobicContact CD1-CG 4.26Å; L108-Y130 HydrophobicContact CD2-CD1 4.36Å; L108-Y130 HydrophobicContact CD2-CD2 3.52Å; L108-Y130 HydrophobicContact CD2-CE1 4.45Å; L108-Y130 HydrophobicContact CD2-CE2 3.59Å; L108-Y130 HydrophobicContact CD2-CG 3.93Å; L108-Y130 HydrophobicContact CG-CD1 4.03Å; L108-Y130 HydrophobicContact CG-CD2 4.09Å; L108-Y130 HydrophobicContact CG-CE1 4.17Å; L108-Y130 HydrophobicContact CG-CE2 4.2Å; L108-Y130 HydrophobicContact CG-CG 4.01Å; N111-Y130 WeakPolarHBondContact ND2-CE2 3.29Å; N111-Y130 PolarHBondContact ND2-OH 3.28Å; F120-Y130 HydrophobicContact CZ-CD2 4.29Å; F120-Y130 HydrophobicContact CZ-CE2 4.01Å; V126-Y130 HydrophobicContact CG1-CD2 4.25Å; V126-Y130 HydrophobicContact CG2-CD2 4.38Å; V126-Y130 PolarHBondContact O-N 3.29Å; Y130-G132 VanDerWaalsContact C-N 3.29Å; Y130-G132 PolarHBondContact O-N 2.81Å; Y130-A133 PolarHBondContact O-N 3.22Å; Y130-W134 WeakPolarHBondContact O-CB 3.37Å; Y130-W134 PolarHBondContact O-N 3Å
131P82Confident80.7Confident74 Ų7458.3 Ų58.348%0.48131%0.313SS..Hα-helixtrans-62.2-35.7-174.225.5-35.1000112.7E104 L129 G135E104-P131 WeakPolarHBondContact OE1-CD 3.2Å; L129-P131 VanDerWaalsContact C-CD 3.46Å; P131-G135 PolarHBondContact O-N 3.46Å
132G82.6Confident80.2Confident33 Ų3362 Ų6234%0.3434%0.335SS..Hα-helixtrans-66.8-51.6177.400000111.7E104 Y130 W134 G135E104-G132 PolarHBondContact OE1-N 3.15Å; E104-G132 PolarHBondContact OE2-N 3.38Å; Y130-G132 VanDerWaalsContact C-N 3.29Å; Y130-G132 PolarHBondContact O-N 2.81Å; G132-W134 PolarHBondContact O-N 3.38Å; G132-G135 PolarHBondContact O-N 2.99Å
133A80.1Confident79.3Confident1 Ų158.5 Ų58.51%0.00832%0.321CS..Hα-helixtrans-62.5-42.217700000112.1W86 E104 L108 W121 Y130 G135 V136 V137W86-A133 HydrophobicContact CH2-CB 3.98Å; W86-A133 HydrophobicContact CZ3-CB 3.91Å; E104-A133 PolarHBondContact OE2-N 3.33Å; L108-A133 HydrophobicContact CD1-CB 3.95Å; W121-A133 HydrophobicContact CH2-CB 3.88Å; W121-A133 HydrophobicContact CZ3-CB 4.18Å; Y130-A133 PolarHBondContact O-N 3.22Å; A133-G135 VanDerWaalsContact C-N 3.34Å; A133-G135 PolarHBondContact O-N 3.44Å; A133-V136 PolarHBondContact O-N 3.48Å; A133-V136 VanDerWaalsContact O-N 3.16Å; A133-V137 WeakPolarHBondContact O-CG2 3.39Å; A133-V137 PolarHBondContact O-N 3.4Å
134W83.1Confident78.1Confident60 Ų6058.2 Ų58.223%0.22732%0.322CS..Hα-helixtrans-61.2-40.2178.2178.6-117.3000112.4W121 V126 P127 Y130 G132 V136 V137 T138 L141W121-W134 HydrophobicContact CB-CZ3 4.06Å; W121-W134 AromaticContact CE3-CE3 3.96Å; W121-W134 HydrophobicContact CE3-CE3 3.96Å; W121-W134 HydrophobicContact CE3-CZ3 4.43Å; W121-W134 WeakPolarHBondContact O-CH2 3.46Å; W121-W134 WeakPolarHBondContact O-CZ3 3.22Å; V126-W134 HydrophobicContact CG1-CE3 4.33Å; P127-W134 HydrophobicContact CB-CD2 4.36Å; P127-W134 HydrophobicContact CB-CG 4.02Å; P127-W134 HydrophobicContact CG-CD2 3.98Å; P127-W134 HydrophobicContact CG-CG 4.17Å; P127-W134 HydrophobicContact CG-CZ2 4.12Å; Y130-W134 WeakPolarHBondContact O-CB 3.37Å; Y130-W134 PolarHBondContact O-N 3Å; G132-W134 PolarHBondContact O-N 3.38Å; W134-V136 PolarHBondContact O-N 3.12Å; W134-V137 PolarHBondContact O-N 3.01Å; W134-T138 VanDerWaalsContact O-CB 3.24Å; W134-T138 WeakPolarHBondContact O-CB 3.47Å; W134-T138 WeakPolarHBondContact O-CG2 3.11Å; W134-T138 PolarHBondContact O-N 3.29Å; W134-L141 HydrophobicContact CZ3-CD1 4.09Å
135G82.3Confident76.3Confident34 Ų3454.5 Ų54.535%0.35132%0.315SS..Hα-helixtrans-58.9-29.8176.600000113.7P131 G132 A133 N139P131-G135 PolarHBondContact O-N 3.46Å; G132-G135 PolarHBondContact O-N 2.99Å; A133-G135 VanDerWaalsContact C-N 3.34Å; A133-G135 PolarHBondContact O-N 3.44Å; G135-N139 PolarHBondContact O-ND2 2.93Å; G135-N139 VanDerWaalsContact O-ND2 3.15Å
136V79.4Confident74.7Confident56 Ų5652.6 Ų52.634%0.33931%0.313SS..Hα-helixtrans-82.2-46.2174.9179.10000111.2W86 I99 A133 W134W86-V136 HydrophobicContact CH2-CB 4.42Å; W86-V136 HydrophobicContact CZ2-CB 4.31Å; W86-V136 HydrophobicContact CZ2-CG1 4.13Å; I99-V136 HydrophobicContact CD1-CB 3.96Å; I99-V136 HydrophobicContact CD1-CG1 3.95Å; I99-V136 HydrophobicContact CD1-CG2 3.58Å; I99-V136 HydrophobicContact CG1-CG2 4.08Å; A133-V136 PolarHBondContact O-N 3.48Å; A133-V136 VanDerWaalsContact O-N 3.16Å; W134-V136 PolarHBondContact O-N 3.12Å
137V79.8Confident73.1Confident0 Ų055.5 Ų55.50%033%0.333CS..Hα-helixtrans-71.3-34.3-175177.40000112.4W86 V87 W121 A133 W134 N139 L140 L141W86-V137 HydrophobicContact CH2-CG2 3.47Å; W86-V137 VanDerWaalsContact CH2-CG2 3.47Å; W86-V137 HydrophobicContact CZ2-CG2 4.42Å; W86-V137 HydrophobicContact CZ3-CG2 3.74Å; V87-V137 HydrophobicContact CG1-CG1 4.4Å; V87-V137 HydrophobicContact CG1-CG2 4.03Å; V87-V137 HydrophobicContact CG2-CG2 4.05Å; W121-V137 HydrophobicContact CB-CG1 4.18Å; W121-V137 HydrophobicContact CD2-CB 4.12Å; W121-V137 HydrophobicContact CD2-CG1 3.66Å; W121-V137 HydrophobicContact CD2-CG2 4.07Å; W121-V137 HydrophobicContact CE3-CB 4.18Å; W121-V137 HydrophobicContact CE3-CG1 4.14Å; W121-V137 HydrophobicContact CE3-CG2 4.23Å; W121-V137 HydrophobicContact CG-CG1 3.63Å; W121-V137 HydrophobicContact CH2-CG2 4.04Å; W121-V137 HydrophobicContact CZ2-CG2 3.79Å; W121-V137 HydrophobicContact CZ3-CG2 4.22Å; A133-V137 WeakPolarHBondContact O-CG2 3.39Å; A133-V137 PolarHBondContact O-N 3.4Å; W134-V137 PolarHBondContact O-N 3.01Å; V137-N139 PolarHBondContact O-N 3.42Å; V137-L140 CarbonylContact O-C 3.59Å; V137-L140 WeakPolarHBondContact O-CA 3.16Å; V137-L140 WeakPolarHBondContact O-CB 3.39Å; V137-L140 PolarHBondContact O-N 3.09Å; V137-L141 HydrophobicContact CG1-CD1 3.48Å; V137-L141 VanDerWaalsContact CG1-CD1 3.48Å; V137-L141 HydrophobicContact CG1-CG 3.61Å; V137-L141 WeakPolarHBondContact O-CG 3.48Å; V137-L141 PolarHBondContact O-N 3.39Å
138T80.8Confident71.7Confident43 Ų4356.1 Ų56.126%0.26434%0.338SS..Hα-helixtrans-57-42.5180-164.40000110.8W134 L140 L141 V142W134-T138 VanDerWaalsContact O-CB 3.24Å; W134-T138 WeakPolarHBondContact O-CB 3.47Å; W134-T138 WeakPolarHBondContact O-CG2 3.11Å; W134-T138 PolarHBondContact O-N 3.29Å; T138-L140 PolarHBondContact O-N 3.33Å; T138-L141 PolarHBondContact O-N 3.06Å; T138-L141 VanDerWaalsContact O-N 3.09Å; T138-V142 VanDerWaalsContact O-CG2 3.32Å; T138-V142 WeakPolarHBondContact O-CG2 3.42Å; T138-V142 PolarHBondContact O-N 3.26Å
139N78.8Confident69.9Low110 Ų11052.4 Ų52.459%0.58832%0.324SS*.Hα-helixtrans-62.2-29.4176.8-65.1-30.5000112.8L12 G135 V137L12-N139 WeakPolarHBondContact CD1-O 3.41Å; G135-N139 PolarHBondContact O-ND2 2.93Å; G135-N139 VanDerWaalsContact O-ND2 3.15Å; V137-N139 PolarHBondContact O-N 3.42Å
140L77.3Confident68.5Low15 Ų1551.4 Ų51.48%0.07932%0.321CS..Hα-helixtrans-84.4-29.1177.1-60.5175.9000112.8L12 I13 M81 I83 V87 V137 T138L12-L140 PolarHBondContact N-O 3.37Å; L12-L140 VanDerWaalsContact N-O 3.15Å; I13-L140 HydrophobicContact CD1-CB 4.17Å; I13-L140 HydrophobicContact CG1-CB 4.1Å; M81-L140 HydrophobicContact CE-CD2 4.02Å; M81-L140 HydrophobicContact CG-CD2 4.16Å; M81-L140 HydrophobicContact SD-CD2 3.49Å; M81-L140 WeakPolarHBondContact SD-CD2 3.36Å; I83-L140 HydrophobicContact CG2-CD1 4.39Å; V87-L140 HydrophobicContact CG1-CD1 4.03Å; V87-L140 HydrophobicContact CG2-CD1 4.14Å; V137-L140 CarbonylContact O-C 3.59Å; V137-L140 WeakPolarHBondContact O-CA 3.16Å; V137-L140 WeakPolarHBondContact O-CB 3.39Å; V137-L140 PolarHBondContact O-N 3.09Å; T138-L140 PolarHBondContact O-N 3.33Å
141L75.1Confident66.8Low22 Ų2257.7 Ų57.712%0.11535%0.35CS..Hα-helixtrans-89.4-16.8-178.3-72.8-174.5000114.3N11 Y117 W121 W134 V137 T138 C143N11-L141 HydrophobicContact CB-CD2 4.37Å; N11-L141 VanDerWaalsContact ND2-CD2 3.33Å; N11-L141 WeakPolarHBondContact ND2-CD2 3.27Å; Y117-L141 HydrophobicContact CE2-CD2 4.27Å; W121-L141 HydrophobicContact CB-CD1 3.37Å; W121-L141 HydrophobicContact CG-CD1 4.06Å; W134-L141 HydrophobicContact CZ3-CD1 4.09Å; V137-L141 HydrophobicContact CG1-CD1 3.48Å; V137-L141 VanDerWaalsContact CG1-CD1 3.48Å; V137-L141 HydrophobicContact CG1-CG 3.61Å; V137-L141 WeakPolarHBondContact O-CG 3.48Å; V137-L141 PolarHBondContact O-N 3.39Å; T138-L141 PolarHBondContact O-N 3.06Å; T138-L141 VanDerWaalsContact O-N 3.09Å; L141-C143 VanDerWaalsContact C-N 3.34Å; L141-C143 PolarHBondContact O-N 3.48Å
142V68.6Low65.2Low77 Ų7759.8 Ų59.847%0.46735%0.348SS..  trans-52.4104.6170.3169.10000107.2T138 L144T138-V142 VanDerWaalsContact O-CG2 3.32Å; T138-V142 WeakPolarHBondContact O-CG2 3.42Å; T138-V142 PolarHBondContact O-N 3.26Å; V142-L144 PolarHBondContact O-N 2.83Å; V142-L144 VanDerWaalsContact O-N 3.08Å
143C60Low63.6Low57 Ų5761.1 Ų61.139%0.38536%0.356SS..PPolyproline II helixtrans-58.1117.2163.9-69.40000104.1L141 P145L141-C143 VanDerWaalsContact C-N 3.34Å; L141-C143 PolarHBondContact O-N 3.48Å; C143-P145 WeakPolarHBondContact O-CD 3.4Å
144L52.4Low62.1Low71 Ų7166.1 Ų66.137%0.37238%0.379SS..PPolyproline II helixtrans-52.1118.5166.6-70.2173.9000104.7L12 I15 V142 S146L12-L144 HydrophobicContact CD2-CD1 4.04Å; L12-L144 HydrophobicContact CD2-CG 4.23Å; I15-L144 HydrophobicContact CD1-CD1 3.92Å; V142-L144 PolarHBondContact O-N 2.83Å; V142-L144 VanDerWaalsContact O-N 3.08Å; L144-S146 PolarHBondContact O-N 3.39Å
145P46.3Very low60.2Low93 Ų9369.6 Ų69.660%0.60440%0.402SS*.PPolyproline II helixtrans-51.1138162.422.9-29.3000104.3C143 S147C143-P145 WeakPolarHBondContact O-CD 3.4Å; P145-S147 PolarHBondContact O-N 2.97Å; P145-S147 PolarHBondContact O-OG 3.06Å; P145-S147 VanDerWaalsContact O-OG 3.07Å
146S49.7Very low58.7Low62 Ų6274 Ų7443%0.43442%0.422SS..THydrogen-bonded Turntrans-53.911.1-171.4530000115.8L144 S148 L149 V150L144-S146 PolarHBondContact O-N 3.39Å; S146-S148 PolarHBondContact O-N 2.91Å; S146-L149 CarbonylContact O-C 3.54Å; S146-L149 WeakPolarHBondContact O-CA 3.28Å; S146-L149 WeakPolarHBondContact O-CB 3.22Å; S146-L149 PolarHBondContact O-N 2.98Å; S146-V150 PolarHBondContact O-N 3.4Å
147S46.9Very low57.5Low62 Ų6275.3 Ų75.343%0.43443%0.433SS..Hα-helixtrans-48.9-36.5174.759.80000113.6P145 L149 V150 E151P145-S147 PolarHBondContact O-N 2.97Å; P145-S147 PolarHBondContact O-OG 3.06Å; P145-S147 VanDerWaalsContact O-OG 3.07Å; S147-L149 VanDerWaalsContact C-N 3.25Å; S147-L149 PolarHBondContact O-N 3.16Å; S147-V150 PolarHBondContact O-N 3.15Å; S147-E151 WeakPolarHBondContact O-CB 3.3Å; S147-E151 WeakPolarHBondContact O-CG 3.46Å; S147-E151 PolarHBondContact O-N 2.71Å
148S52.3Low55.9Low58 Ų5882.1 Ų82.141%0.40647%0.469SS..Hα-helixtrans-68.6-22.9173.866.60000113.7S146 R152S146-S148 PolarHBondContact O-N 2.91Å; S148-R152 WeakPolarHBondContact O-CG 3.49Å
149L46.8Very low53.8Low81 Ų8182 Ų8242%0.42448%0.475SS..Hα-helixtrans-86.2-35.1169.9-66.6177.7000111.9S146 S147 R152 A153S146-L149 CarbonylContact O-C 3.54Å; S146-L149 WeakPolarHBondContact O-CA 3.28Å; S146-L149 WeakPolarHBondContact O-CB 3.22Å; S146-L149 PolarHBondContact O-N 2.98Å; S147-L149 VanDerWaalsContact C-N 3.25Å; S147-L149 PolarHBondContact O-N 3.16Å; L149-R152 PolarHBondContact O-N 2.88Å; L149-A153 PolarHBondContact O-N 3.47Å
150V52.4Low52Low67 Ų6787.2 Ų87.241%0.40651%0.512SS..Hα-helixtrans-68.4-39.9176.5175.50000111.3S146 S147 R152 A153 H154S146-V150 PolarHBondContact O-N 3.4Å; S147-V150 PolarHBondContact O-N 3.15Å; V150-R152 VanDerWaalsContact C-N 3.26Å; V150-R152 PolarHBondContact O-N 3.25Å; V150-A153 PolarHBondContact O-N 3.42Å; V150-H154 PolarHBondContact O-N 3.09Å
151E46.7Very low50.7Low135 Ų13590.8 Ų90.863%0.63153%0.533SS*.Hα-helixtrans-64.6-31.7174.2-78.1-176.8166.400112.1S147 L155S147-E151 WeakPolarHBondContact O-CB 3.3Å; S147-E151 WeakPolarHBondContact O-CG 3.46Å; S147-E151 PolarHBondContact O-N 2.71Å; E151-L155 WeakPolarHBondContact O-CG 3.33Å; E151-L155 PolarHBondContact O-N 3.38Å
152R47.7Very low49.4Very low118 Ų11894.4 Ų94.445%0.44556%0.555SS.*Hα-helixtrans-78-32.9174.4-71-174.6-173.9-173.44.3113.4S148 L149 V150 H154 L155 V156S148-R152 WeakPolarHBondContact O-CG 3.49Å; L149-R152 PolarHBondContact O-N 2.88Å; V150-R152 VanDerWaalsContact C-N 3.26Å; V150-R152 PolarHBondContact O-N 3.25Å; R152-H154 VanDerWaalsContact C-N 3.31Å; R152-L155 PolarHBondContact O-N 3.33Å; R152-V156 PolarHBondContact O-N 3.06Å
153A49.6Very low48.3Very low61 Ų6195.4 Ų95.450%0.50456%0.56SS.*Hα-helixtrans-65.3-38.2170.400000111L149 V150 V156 S157L149-A153 PolarHBondContact O-N 3.47Å; V150-A153 PolarHBondContact O-N 3.42Å; A153-V156 PolarHBondContact O-N 2.72Å; A153-S157 PolarHBondContact O-N 3.36Å; A153-S157 VanDerWaalsContact O-N 3.15Å
154H48Very low47.7Very low106 Ų10697.6 Ų97.649%0.49157%0.571SS.*Hα-helixtrans-69.5-35.9174.7-75.7160.8000113.6V150 R152 V156 S157 L158V150-H154 PolarHBondContact O-N 3.09Å; R152-H154 VanDerWaalsContact C-N 3.31Å; H154-V156 VanDerWaalsContact C-N 3.29Å; H154-V156 PolarHBondContact O-N 2.91Å; H154-S157 WeakPolarHBondContact CA-OG 3.42Å; H154-S157 PolarHBondContact O-N 3.17Å; H154-S157 VanDerWaalsContact O-N 3.12Å; H154-S157 PolarHBondContact O-OG 2.86Å; H154-S157 VanDerWaalsContact O-OG 3.06Å; H154-L158 WeakPolarHBondContact O-CB 3.48Å; H154-L158 PolarHBondContact O-N 3.37Å
155L43.2Very low47.4Very low134 Ų13499.3 Ų99.370%0.70258%0.583SS**Hα-helixtrans-66.3-30.9173.7-80.6169.1000112.9E151 R152 S157E151-L155 WeakPolarHBondContact O-CG 3.33Å; E151-L155 PolarHBondContact O-N 3.38Å; R152-L155 PolarHBondContact O-N 3.33Å; L155-S157 VanDerWaalsContact C-N 3.34Å
156V51.7Low47.4Very low126 Ų12699.7 Ų99.776%0.76458%0.582SS**Hα-helixtrans-74.1-25.5172172.20000111.9R152 A153 H154R152-V156 PolarHBondContact O-N 3.06Å; A153-V156 PolarHBondContact O-N 2.72Å; H154-V156 VanDerWaalsContact C-N 3.29Å; H154-V156 PolarHBondContact O-N 2.91Å
157S52.2Low47.3Very low83 Ų83102.4 Ų102.458%0.5859%0.592SS**Hα-helixtrans-89.6-15178.271.70000115A153 H154 L155A153-S157 PolarHBondContact O-N 3.36Å; A153-S157 VanDerWaalsContact O-N 3.15Å; H154-S157 WeakPolarHBondContact CA-OG 3.42Å; H154-S157 PolarHBondContact O-N 3.17Å; H154-S157 VanDerWaalsContact O-N 3.12Å; H154-S157 PolarHBondContact O-OG 2.86Å; H154-S157 VanDerWaalsContact O-OG 3.06Å; L155-S157 VanDerWaalsContact C-N 3.34Å
158L46.5Very low47.3Very low144 Ų144105.5 Ų105.575%0.75460%0.604SS**Hα-helixtrans-114.13-171.1-87.7153.4000116.4H154H154-L158 WeakPolarHBondContact O-CB 3.48Å; H154-L158 PolarHBondContact O-N 3.37Å
159G37.7Very low46.9Very low39 Ų39109.5 Ų109.540%0.40262%0.621SS.*  trans-140.110516600000109.3
160T40Very low46.9Very low220 Ų220112.1 Ų112.1100%1.3564%0.639SS**  58.7094.555.10000113

Retrieved 160 of 160 residues in 167.2 ms (Link to these results)

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