A0A5K4F6Z3_SCHMA Loading...

DUF1474 family protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F6Z3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 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
1M63Low84.2Confident127 Ų12760.9 Ų60.963%0.62631%0.311SS*.  0-650-154-171.4-63.400112.4V3 D4 I5 L79M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.35Å; M1-D4 WeakPolarHBondContact O-CB 3.36Å; M1-D4 PolarHBondContact O-N 3.38Å; M1-D4 VanDerWaalsContact O-N 3.13Å; M1-I5 HydrophobicContact CG-CD1 3.89Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.43Å; M1-I5 VanDerWaalsContact O-N 3.12Å; M1-I5 HydrophobicContact SD-CD1 4.47Å; M1-L79 HydrophobicContact CG-CD2 3.87Å
2I71Confident84.9Confident145 Ų14558.2 Ų58.274%0.74430%0.296SS*.Hα-helixtrans-56.3-41.4-175.6-61.4173.7000113.2D4 N6I2-D4 PolarHBondContact O-N 3.23Å; I2-N6 WeakPolarHBondContact O-CB 3.42Å; I2-N6 PolarHBondContact O-N 3.12Å; I2-N6 VanDerWaalsContact O-N 3.12Å
3V73Confident85.7Confident92 Ų9256.6 Ų56.656%0.55829%0.291SS*.Hα-helixtrans-64.7-39.3-179.1176.90000112M1 C7 L71M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.35Å; V3-C7 PolarHBondContact O-N 3.26Å; V3-C7 VanDerWaalsContact O-N 3.08Å; V3-L71 HydrophobicContact CG1-CB 4.34Å; V3-L71 HydrophobicContact CG1-CD1 3.94Å; V3-L71 HydrophobicContact CG1-CD2 3.92Å; V3-L71 HydrophobicContact CG1-CG 4.27Å
4D81.2Confident86.4Confident0 Ų052.6 Ų52.60%027%0.27CS..Hα-helixtrans-67.7-50.3178.4-17918.5000111.5M1 I2 N6 C7 K8 T72M1-D4 WeakPolarHBondContact O-CB 3.36Å; M1-D4 PolarHBondContact O-N 3.38Å; M1-D4 VanDerWaalsContact O-N 3.13Å; I2-D4 PolarHBondContact O-N 3.23Å; D4-N6 VanDerWaalsContact C-N 3.25Å; D4-N6 PolarHBondContact O-N 3.04Å; D4-C7 WeakPolarHBondContact O-CA 3.37Å; D4-C7 VanDerWaalsContact O-CB 3.31Å; D4-C7 WeakPolarHBondContact O-CB 3.35Å; D4-C7 PolarHBondContact O-N 3.39Å; D4-K8 PolarHBondContact O-N 3.24Å; D4-K8 WeakPolarHBondContact OD1-CE 3.37Å; D4-K8 IonicContact OD1-NZ 3.12Å; D4-K8 IonicContact OD2-NZ 3.22Å; D4-T72 PolarHBondContact OD1-OG1 3.47Å; D4-T72 WeakPolarHBondContact OD2-CB 3.45Å; D4-T72 WeakPolarHBondContact OD2-CG2 3.41Å; D4-T72 PolarHBondContact OD2-OG1 3.29Å
5I84.9Confident86.9Confident46 Ų4650.9 Ų50.924%0.23626%0.262CS..Hα-helixtrans-55.2-42.9177.6-64.9169.5000111M1 S9 L79 I82 I86M1-I5 HydrophobicContact CG-CD1 3.89Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.43Å; M1-I5 VanDerWaalsContact O-N 3.12Å; M1-I5 HydrophobicContact SD-CD1 4.47Å; I5-S9 WeakPolarHBondContact O-CB 3.44Å; I5-S9 PolarHBondContact O-N 3.26Å; I5-L79 HydrophobicContact CG1-CD2 4.2Å; I5-I82 HydrophobicContact CD1-CD1 3.71Å; I5-I82 HydrophobicContact CD1-CG2 4.26Å; I5-I82 HydrophobicContact CG1-CD1 4.45Å; I5-I82 HydrophobicContact CG1-CG2 4.02Å; I5-I82 HydrophobicContact CG2-CG2 4.01Å; I5-I86 HydrophobicContact CG2-CD1 4.21Å
6N90.7Very high87.3Confident83 Ų8348.6 Ų48.644%0.44425%0.251SS..Hα-helixtrans-67.3-37.2177.3-176.254.1000112.4I2 D4 K10I2-N6 WeakPolarHBondContact O-CB 3.42Å; I2-N6 PolarHBondContact O-N 3.12Å; I2-N6 VanDerWaalsContact O-N 3.12Å; D4-N6 VanDerWaalsContact C-N 3.25Å; D4-N6 PolarHBondContact O-N 3.04Å; N6-K10 WeakPolarHBondContact O-CG 3.42Å; N6-K10 PolarHBondContact O-N 3.11Å; N6-K10 VanDerWaalsContact O-N 3.08Å
7C91.7Very high87.6Confident4 Ų446.6 Ų46.63%0.02724%0.243CC..Hα-helixtrans-61.8-56.1175.5-170.70000110.8V3 D4 S9 K10 R11 C68 L71V3-C7 PolarHBondContact O-N 3.26Å; V3-C7 VanDerWaalsContact O-N 3.08Å; D4-C7 WeakPolarHBondContact O-CA 3.37Å; D4-C7 VanDerWaalsContact O-CB 3.31Å; D4-C7 WeakPolarHBondContact O-CB 3.35Å; D4-C7 PolarHBondContact O-N 3.39Å; C7-S9 VanDerWaalsContact C-N 3.34Å; C7-S9 PolarHBondContact O-N 2.89Å; C7-K10 PolarHBondContact O-N 2.95Å; C7-K10 VanDerWaalsContact O-N 3.16Å; C7-R11 PolarHBondContact O-N 3.43Å; C7-C68 HydrophobicContact CB-CB 3.84Å; C7-C68 WeakPolarHBondContact CB-SG 3.26Å; C7-C68 WeakPolarHBondContact SG-CA 3.42Å; C7-C68 WeakPolarHBondContact SG-CB 3.48Å; C7-C68 CovalentContact SG-SG 2.05Å; C7-C68 PolarHBondContact SG-SG 3.47Å; C7-L71 HydrophobicContact CB-CD1 4.08Å
8K90.4Very high88Confident20 Ų2046.2 Ų46.29%0.08724%0.241CC..Hα-helixtrans-59-44.5179.4-66.5-176.6178.4175.70111.9D4 K10 R11 E12 C68 D83 I86D4-K8 PolarHBondContact O-N 3.24Å; D4-K8 WeakPolarHBondContact OD1-CE 3.37Å; D4-K8 IonicContact OD1-NZ 3.12Å; D4-K8 IonicContact OD2-NZ 3.22Å; K8-K10 PolarHBondContact O-N 3.19Å; K8-R11 WeakPolarHBondContact O-CB 3.24Å; K8-R11 PolarHBondContact O-N 3.17Å; K8-E12 WeakPolarHBondContact O-CG 3.36Å; K8-E12 PolarHBondContact O-N 2.98Å; K8-C68 HydrophobicContact CG-CB 4.03Å; K8-D83 WeakPolarHBondContact CD-OD1 3.4Å; K8-D83 IonicContact NZ-OD1 3.43Å; K8-D83 PolarHBondContact NZ-OD1 2.99Å; K8-D83 IonicContact NZ-OD2 2.6Å; K8-D83 PolarHBondContact NZ-OD2 2.83Å; K8-I86 HydrophobicContact CB-CD1 4.47Å
9S92.5Very high88.3Confident26 Ų2649.7 Ų49.718%0.18226%0.26CS..Hα-helixtrans-56.3-46.9175.7-179.40000112.4I5 C7 E12 V13 Y90I5-S9 WeakPolarHBondContact O-CB 3.44Å; I5-S9 PolarHBondContact O-N 3.26Å; C7-S9 VanDerWaalsContact C-N 3.34Å; C7-S9 PolarHBondContact O-N 2.89Å; S9-E12 PolarHBondContact O-N 3.16Å; S9-V13 VanDerWaalsContact O-CG2 3.28Å; S9-V13 WeakPolarHBondContact O-CG2 3.1Å; S9-V13 PolarHBondContact O-N 3.26Å; S9-Y90 PolarHBondContact OG-OH 2.99Å
10K94.8Very high88.4Confident75 Ų7547.9 Ų47.933%0.32625%0.252SS..Hα-helixtrans-67-36.5178-75.2178.4177.8-175.50113N6 C7 K8 V13 A14 M59 H63N6-K10 WeakPolarHBondContact O-CG 3.42Å; N6-K10 PolarHBondContact O-N 3.11Å; N6-K10 VanDerWaalsContact O-N 3.08Å; C7-K10 PolarHBondContact O-N 2.95Å; C7-K10 VanDerWaalsContact O-N 3.16Å; K8-K10 PolarHBondContact O-N 3.19Å; K10-V13 WeakPolarHBondContact O-CB 3.28Å; K10-V13 PolarHBondContact O-N 2.72Å; K10-A14 PolarHBondContact O-N 2.73Å; K10-A14 VanDerWaalsContact O-N 3.09Å; K10-M59 HydrophobicContact CB-CG 4.45Å; K10-M59 HydrophobicContact CB-SD 4.44Å; K10-H63 HydrophobicContact CB-CB 4.37Å; K10-H63 WeakPolarHBondContact CD-NE2 3.47Å; K10-H63 PolarHBondContact NZ-NE2 3.39Å
11R93.5Very high88.6Confident52 Ų5247 Ų4720%0.19625%0.246CC..Hα-helixtrans-59.8-49.4172.6-168.9-167.769.5152-9.1110.8C7 K8 V13 A14 D15 H63 E65C7-R11 PolarHBondContact O-N 3.43Å; K8-R11 WeakPolarHBondContact O-CB 3.24Å; K8-R11 PolarHBondContact O-N 3.17Å; R11-V13 PolarHBondContact O-N 3.35Å; R11-A14 WeakPolarHBondContact O-CB 3.43Å; R11-A14 PolarHBondContact O-N 3.48Å; R11-A14 VanDerWaalsContact O-N 3.07Å; R11-D15 PolarHBondContact O-N 3.39Å; R11-H63 HydrophobicContact CB-CB 4.35Å; R11-H63 WeakPolarHBondContact CB-O 3.12Å; R11-H63 VanDerWaalsContact CG-O 3.3Å; R11-H63 WeakPolarHBondContact CG-O 3.2Å; R11-E65 IonicContact CZ-OE2 3.75Å; R11-E65 IonicContact NE-OE2 2.82Å; R11-E65 IonicContact NH1-OE2 3.11Å; R11-E65 PolarHBondContact NH1-OE2 3.46Å; R11-E65 IonicContact NH2-OE2 2.96Å
12E92.8Very high90Very high28 Ų2844.8 Ų44.813%0.13124%0.244CC..Hα-helixtrans-64.7-36.1179.7-67.9-56.3143.900112.9K8 S9 A14 T16 I86 N87 Y90K8-E12 WeakPolarHBondContact O-CG 3.36Å; K8-E12 PolarHBondContact O-N 2.98Å; S9-E12 PolarHBondContact O-N 3.16Å; E12-A14 VanDerWaalsContact C-N 3.33Å; E12-A14 PolarHBondContact O-N 2.84Å; E12-T16 WeakPolarHBondContact O-CB 3.47Å; E12-T16 PolarHBondContact O-N 3.39Å; E12-T16 PolarHBondContact O-OG1 2.98Å; E12-I86 HydrophobicContact CB-CG2 3.76Å; E12-I86 HydrophobicContact CG-CG2 3.61Å; E12-N87 WeakPolarHBondContact CG-OD1 3.07Å; E12-N87 PolarHBondContact OE1-OD1 3.16Å; E12-N87 PolarHBondContact OE2-OD1 3.38Å; E12-Y90 HydrophobicContact CB-CD2 3.58Å; E12-Y90 HydrophobicContact CB-CE2 4.15Å; E12-Y90 HydrophobicContact CB-CG 4.26Å
13V94.3Very high91Very high38 Ų3839 Ų3923%0.2322%0.217CC..Hα-helixtrans-55.1-51.8169172.80000110.2S9 K10 R11 A17 Y56 M59 Y90S9-V13 VanDerWaalsContact O-CG2 3.28Å; S9-V13 WeakPolarHBondContact O-CG2 3.1Å; S9-V13 PolarHBondContact O-N 3.26Å; K10-V13 WeakPolarHBondContact O-CB 3.28Å; K10-V13 PolarHBondContact O-N 2.72Å; R11-V13 PolarHBondContact O-N 3.35Å; V13-A17 VanDerWaalsContact O-CB 3.28Å; V13-A17 WeakPolarHBondContact O-CB 3.11Å; V13-A17 PolarHBondContact O-N 3.34Å; V13-Y56 HydrophobicContact CG1-CE1 3.98Å; V13-M59 HydrophobicContact CB-SD 4.41Å; V13-M59 HydrophobicContact CG1-SD 4.21Å; V13-Y90 HydrophobicContact CB-CE1 4.16Å; V13-Y90 HydrophobicContact CG2-CD1 4.17Å; V13-Y90 HydrophobicContact CG2-CE1 3.27Å; V13-Y90 HydrophobicContact CG2-CE2 4Å; V13-Y90 WeakPolarHBondContact CG2-OH 3.47Å
14A95.7Very high91.9Very high0 Ų034.8 Ų34.80%019%0.191CC..Hα-helixtrans-66.1-44.9-174.900000111.8K10 R11 E12 A17 L18 Y56 M59 K60K10-A14 PolarHBondContact O-N 2.73Å; K10-A14 VanDerWaalsContact O-N 3.09Å; R11-A14 WeakPolarHBondContact O-CB 3.43Å; R11-A14 PolarHBondContact O-N 3.48Å; R11-A14 VanDerWaalsContact O-N 3.07Å; E12-A14 VanDerWaalsContact C-N 3.33Å; E12-A14 PolarHBondContact O-N 2.84Å; A14-A17 PolarHBondContact O-N 2.87Å; A14-L18 VanDerWaalsContact O-CG 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.33Å; A14-L18 PolarHBondContact O-N 3.41Å; A14-Y56 HydrophobicContact CB-CD1 4.28Å; A14-Y56 WeakPolarHBondContact CB-O 3.27Å; A14-M59 HydrophobicContact CB-CB 4.07Å; A14-M59 HydrophobicContact CB-CG 4.04Å; A14-M59 HydrophobicContact CB-SD 4.14Å; A14-K60 HydrophobicContact CB-CB 3.83Å
15D94.1Very high92.3Very high28 Ų2836.7 Ų36.715%0.1520%0.201CC..Hα-helixtrans-60.6-49176.9-85.6-35.5000112.1R11 A17 L18 L19 K60R11-D15 PolarHBondContact O-N 3.39Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.09Å; D15-L18 PolarHBondContact O-N 2.05Å; D15-L19 WeakPolarHBondContact O-CB 3.3Å; D15-L19 VanDerWaalsContact O-CG 3.3Å; D15-L19 WeakPolarHBondContact O-CG 3.4Å; D15-L19 PolarHBondContact O-N 3.38Å; D15-K60 WeakPolarHBondContact OD1-CD 3.33Å; D15-K60 WeakPolarHBondContact OD1-CE 3.31Å; D15-K60 IonicContact OD1-NZ 3.94Å; D15-K60 PolarHBondContact OD1-NZ 2.86Å; D15-K60 IonicContact OD2-NZ 3.81Å
16T92.9Very high92.6Very high14 Ų1439.3 Ų39.39%0.08622%0.215CC..Hα-helixtrans-62.9-40.8179.3-62.80000111.6E12 S20 Y90E12-T16 WeakPolarHBondContact O-CB 3.47Å; E12-T16 PolarHBondContact O-N 3.39Å; E12-T16 PolarHBondContact O-OG1 2.98Å; T16-S20 WeakPolarHBondContact O-CB 3.44Å; T16-S20 PolarHBondContact O-N 3.29Å; T16-S20 PolarHBondContact O-OG 3.09Å; T16-Y90 WeakPolarHBondContact CG2-O 3.5Å; T16-Y90 VanDerWaalsContact OG1-CB 3.31Å; T16-Y90 WeakPolarHBondContact OG1-CB 3.46Å
17A93.4Very high92.6Very high14 Ų1436.7 Ų36.712%0.11620%0.2CC..Hα-helixtrans-64.3-45.9177.700000111.9V13 A14 D15 S20 M21 Y56V13-A17 VanDerWaalsContact O-CB 3.28Å; V13-A17 WeakPolarHBondContact O-CB 3.11Å; V13-A17 PolarHBondContact O-N 3.34Å; A14-A17 PolarHBondContact O-N 2.87Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.09Å; A17-S20 WeakPolarHBondContact O-CB 2.88Å; A17-S20 PolarHBondContact O-N 3.37Å; A17-M21 VanDerWaalsContact O-CG 3.31Å; A17-M21 WeakPolarHBondContact O-CG 3.43Å; A17-M21 PolarHBondContact O-N 3.05Å; A17-Y56 HydrophobicContact CB-CD1 3.78Å; A17-Y56 HydrophobicContact CB-CD2 3.58Å; A17-Y56 HydrophobicContact CB-CE1 3.73Å; A17-Y56 HydrophobicContact CB-CE2 3.54Å; A17-Y56 HydrophobicContact CB-CG 3.7Å
18L94.7Very high92.5Very high39 Ų3936.5 Ų36.520%0.20420%0.199CC..Hα-helixtrans-62.8-43.5177.7-70.1169.6000111.7A14 D15 M21 S22 A53 K57 K60A14-L18 VanDerWaalsContact O-CG 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.33Å; A14-L18 PolarHBondContact O-N 3.41Å; D15-L18 PolarHBondContact O-N 2.05Å; L18-M21 PolarHBondContact O-N 2.91Å; L18-S22 WeakPolarHBondContact O-CB 3.5Å; L18-S22 PolarHBondContact O-N 3.16Å; L18-A53 HydrophobicContact CD2-CB 4.07Å; L18-K57 HydrophobicContact CD1-CG 4.25Å; L18-K57 HydrophobicContact CD2-CG 4.11Å; L18-K60 HydrophobicContact CD1-CD 4.34Å
19L93.2Very high92.4Very high113 Ų11340.2 Ų40.259%0.59222%0.216SC*.Hα-helixtrans-61.5-45.1174.5-74.2170.2000111.7D15 M21 S22 A23D15-L19 WeakPolarHBondContact O-CB 3.3Å; D15-L19 VanDerWaalsContact O-CG 3.3Å; D15-L19 WeakPolarHBondContact O-CG 3.4Å; D15-L19 PolarHBondContact O-N 3.38Å; L19-M21 PolarHBondContact O-N 2.99Å; L19-S22 PolarHBondContact O-N 2.94Å; L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.33Å; L19-A23 PolarHBondContact O-N 3.08Å
20S91.2Very high92.4Very high14 Ų1443.8 Ų43.810%0.09823%0.233CC..Hα-helixtrans-57.2-49.3177.5-570000111.6T16 A17 A23 F24 Y94T16-S20 WeakPolarHBondContact O-CB 3.44Å; T16-S20 PolarHBondContact O-N 3.29Å; T16-S20 PolarHBondContact O-OG 3.09Å; A17-S20 WeakPolarHBondContact O-CB 2.88Å; A17-S20 PolarHBondContact O-N 3.37Å; S20-A23 PolarHBondContact O-N 3.12Å; S20-F24 WeakPolarHBondContact O-CB 3.1Å; S20-F24 PolarHBondContact O-N 3.49Å; S20-Y94 WeakPolarHBondContact OG-CD2 3.31Å
21M91.7Very high92Very high28 Ų2841 Ų4114%0.13822%0.221CC..Hα-helixtrans-63.4-45.8-179.2-69.2171.5-170.800111.5A17 L18 L19 F24 M25 F49 Q52 A53 Y56A17-M21 VanDerWaalsContact O-CG 3.31Å; A17-M21 WeakPolarHBondContact O-CG 3.43Å; A17-M21 PolarHBondContact O-N 3.05Å; L18-M21 PolarHBondContact O-N 2.91Å; L19-M21 PolarHBondContact O-N 2.99Å; M21-F24 PolarHBondContact O-N 3.13Å; M21-M25 WeakPolarHBondContact O-CG 3.45Å; M21-M25 PolarHBondContact O-N 3.12Å; M21-F49 HydrophobicContact CB-CD2 3.81Å; M21-F49 HydrophobicContact CB-CE2 4.08Å; M21-F49 HydrophobicContact CB-CG 4.42Å; M21-F49 HydrophobicContact CG-CD1 4.47Å; M21-F49 HydrophobicContact CG-CD2 3.85Å; M21-F49 HydrophobicContact CG-CE2 4.01Å; M21-F49 HydrophobicContact CG-CG 4.08Å; M21-F49 HydrophobicContact CG-CZ 4.41Å; M21-Q52 HydrophobicContact CE-CB 3.54Å; M21-Q52 HydrophobicContact CE-CG 4.5Å; M21-Q52 HydrophobicContact SD-CB 4.38Å; M21-A53 HydrophobicContact SD-CB 4.34Å; M21-Y56 HydrophobicContact CE-CD2 3.7Å; M21-Y56 HydrophobicContact CE-CE2 3.53Å
22S92.7Very high91.6Very high82 Ų8242.2 Ų42.257%0.57323%0.228SC*.Hα-helixtrans-63.3-43.6178.4-1720000111.9L18 L19 M25 N26L18-S22 WeakPolarHBondContact O-CB 3.5Å; L18-S22 PolarHBondContact O-N 3.16Å; L19-S22 PolarHBondContact O-N 2.94Å; S22-M25 PolarHBondContact O-N 2.6Å; S22-N26 WeakPolarHBondContact O-CB 3.47Å; S22-N26 PolarHBondContact O-N 2.69Å
23A92.3Very high91.5Very high22 Ų2244.7 Ų44.718%0.18225%0.253CS..Hα-helixtrans-62.9-44178.900000111.3L19 S20 N26 H27 Y94 F98L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.33Å; L19-A23 PolarHBondContact O-N 3.08Å; S20-A23 PolarHBondContact O-N 3.12Å; A23-N26 PolarHBondContact O-N 3Å; A23-H27 WeakPolarHBondContact O-CB 2.98Å; A23-H27 PolarHBondContact O-N 3.22Å; A23-Y94 HydrophobicContact CB-CE2 3.96Å; A23-F98 HydrophobicContact CB-CD2 4.08Å; A23-F98 HydrophobicContact CB-CE2 4.06Å
24F90.6Very high91.3Very high5 Ų548.7 Ų48.72%0.02227%0.27CS..Hα-helixtrans-63.3-47.1177.2174.7-95.8000112.2S20 M21 N26 H27 V28 L45 F49 Y101S20-F24 WeakPolarHBondContact O-CB 3.1Å; S20-F24 PolarHBondContact O-N 3.49Å; M21-F24 PolarHBondContact O-N 3.13Å; F24-N26 VanDerWaalsContact C-N 3.32Å; F24-N26 PolarHBondContact O-N 3.34Å; F24-H27 WeakPolarHBondContact O-CB 3.2Å; F24-H27 PolarHBondContact O-N 3.22Å; F24-H27 VanDerWaalsContact O-N 3.12Å; F24-V28 HydrophobicContact CD1-CG2 4.13Å; F24-V28 HydrophobicContact CD2-CG2 4.48Å; F24-V28 HydrophobicContact CE1-CG2 3.48Å; F24-V28 VanDerWaalsContact CE1-CG2 3.48Å; F24-V28 HydrophobicContact CE2-CG2 3.89Å; F24-V28 HydrophobicContact CZ-CG2 3.38Å; F24-V28 PolarHBondContact O-N 3.22Å; F24-L45 HydrophobicContact CD1-CD2 4.32Å; F24-L45 HydrophobicContact CE1-CD2 3.21Å; F24-L45 HydrophobicContact CE1-CG 4.06Å; F24-L45 HydrophobicContact CZ-CD2 3.45Å; F24-L45 VanDerWaalsContact CZ-CD2 3.45Å; F24-F49 HydrophobicContact CB-CE2 4.12Å; F24-F49 HydrophobicContact CD1-CD2 4.28Å; F24-F49 AromaticContact CD1-CE2 3.37Å; F24-F49 HydrophobicContact CD1-CE2 3.37Å; F24-F49 AromaticContact CD1-CZ 3.91Å; F24-F49 HydrophobicContact CD1-CZ 3.91Å; F24-F49 HydrophobicContact CE1-CE2 4.15Å; F24-F49 HydrophobicContact CE1-CZ 4.43Å; F24-F49 HydrophobicContact CG-CE2 4.03Å; F24-F49 HydrophobicContact CG-CZ 4.43Å; F24-Y101 VanDerWaalsContact CD2-CB 3.4Å; F24-Y101 HydrophobicContact CD2-CD1 4.43Å; F24-Y101 HydrophobicContact CD2-CD2 4.27Å; F24-Y101 AromaticContact CD2-CG 3.83Å; F24-Y101 HydrophobicContact CD2-CG 3.83Å; F24-Y101 HydrophobicContact CE2-CD1 4.26Å; F24-Y101 HydrophobicContact CE2-CG 4.03Å
25M89.5Confident90.9Very high39 Ų3952.3 Ų52.319%0.19228%0.284CS..Hα-helixtrans-63.3-39.6179.7-70.7-58-62.600111.8M21 S22 H27 V28 E29 N46 F49M21-M25 WeakPolarHBondContact O-CG 3.45Å; M21-M25 PolarHBondContact O-N 3.12Å; S22-M25 PolarHBondContact O-N 2.6Å; M25-H27 VanDerWaalsContact C-N 3.33Å; M25-H27 PolarHBondContact O-N 2.58Å; M25-V28 PolarHBondContact O-N 3.27Å; M25-E29 WeakPolarHBondContact O-CG 3.44Å; M25-E29 PolarHBondContact O-N 3.02Å; M25-E29 VanDerWaalsContact O-N 3.11Å; M25-N46 HydrophobicContact CE-CB 4.3Å; M25-N46 WeakPolarHBondContact CE-OD1 3.38Å; M25-F49 HydrophobicContact CG-CD2 3.95Å; M25-F49 HydrophobicContact CG-CE2 4.48Å; M25-F49 HydrophobicContact SD-CD2 4.07Å
26N91.8Very high90.4Very high102 Ų10255.4 Ų55.455%0.54531%0.306SS..Hα-helixtrans-61.7-42.7173.2-172.645.4000111.7S22 A23 F24 V28 E29 L30S22-N26 WeakPolarHBondContact O-CB 3.47Å; S22-N26 PolarHBondContact O-N 2.69Å; A23-N26 PolarHBondContact O-N 3Å; F24-N26 VanDerWaalsContact C-N 3.32Å; F24-N26 PolarHBondContact O-N 3.34Å; N26-V28 PolarHBondContact O-N 2.89Å; N26-E29 PolarHBondContact O-N 2.7Å; N26-L30 WeakPolarHBondContact O-CG 3.22Å; N26-L30 PolarHBondContact O-N 3.04Å
27H90.9Very high90Very high28 Ų2859.6 Ų59.613%0.1333%0.331CS..Hα-helixtrans-63.4-40.6176.9-175.165.9000112.3A23 F24 M25 E29 L30 M31 F98 E102A23-H27 WeakPolarHBondContact O-CB 2.98Å; A23-H27 PolarHBondContact O-N 3.22Å; F24-H27 WeakPolarHBondContact O-CB 3.2Å; F24-H27 PolarHBondContact O-N 3.22Å; F24-H27 VanDerWaalsContact O-N 3.12Å; M25-H27 VanDerWaalsContact C-N 3.33Å; M25-H27 PolarHBondContact O-N 2.58Å; H27-E29 VanDerWaalsContact C-N 3.34Å; H27-E29 PolarHBondContact O-N 3.49Å; H27-L30 PolarHBondContact O-N 3.42Å; H27-M31 VanDerWaalsContact O-CG 3.31Å; H27-M31 WeakPolarHBondContact O-CG 3.4Å; H27-M31 PolarHBondContact O-N 3.07Å; H27-F98 HydrophobicContact CB-CE2 4.24Å; H27-F98 HydrophobicContact CB-CZ 4.23Å; H27-E102 IonicContact CE1-OE1 3.27Å
28V88.8Confident89.3Confident0 Ų059.4 Ų59.40%033%0.328CS..Hα-helixtrans-58.1-44.5173.1164.50000111.9F24 M25 N26 M31 K32 F42 L105F24-V28 HydrophobicContact CD1-CG2 4.13Å; F24-V28 HydrophobicContact CD2-CG2 4.48Å; F24-V28 HydrophobicContact CE1-CG2 3.48Å; F24-V28 VanDerWaalsContact CE1-CG2 3.48Å; F24-V28 HydrophobicContact CE2-CG2 3.89Å; F24-V28 HydrophobicContact CZ-CG2 3.38Å; F24-V28 PolarHBondContact O-N 3.22Å; M25-V28 PolarHBondContact O-N 3.27Å; N26-V28 PolarHBondContact O-N 2.89Å; V28-M31 PolarHBondContact O-N 3.35Å; V28-K32 HydrophobicContact CG1-CD 4.34Å; V28-K32 WeakPolarHBondContact O-CG 3.18Å; V28-K32 PolarHBondContact O-N 3.39Å; V28-F42 HydrophobicContact CB-CE2 4.49Å; V28-F42 HydrophobicContact CG1-CD2 3.4Å; V28-F42 VanDerWaalsContact CG1-CD2 3.4Å; V28-F42 HydrophobicContact CG1-CE2 3.41Å; V28-F42 VanDerWaalsContact CG1-CE2 3.41Å; V28-F42 HydrophobicContact CG1-CG 4Å; V28-F42 HydrophobicContact CG1-CZ 4.08Å; V28-F42 HydrophobicContact CG2-CD1 4.49Å; V28-F42 HydrophobicContact CG2-CE1 4.24Å; V28-F42 HydrophobicContact CG2-CE2 4.34Å; V28-F42 HydrophobicContact CG2-CZ 4.17Å; V28-L105 HydrophobicContact CG2-CD2 4.07Å
29E89.8Confident88.8Confident97 Ų9765 Ų6545%0.45335%0.353SS..Hα-helixtrans-66.3-38178.4-65.9-52.8126.400112.3M25 N26 H27 K32 A33M25-E29 WeakPolarHBondContact O-CG 3.44Å; M25-E29 PolarHBondContact O-N 3.02Å; M25-E29 VanDerWaalsContact O-N 3.11Å; N26-E29 PolarHBondContact O-N 2.7Å; H27-E29 VanDerWaalsContact C-N 3.34Å; H27-E29 PolarHBondContact O-N 3.49Å; E29-K32 PolarHBondContact O-N 2.84Å; E29-K32 IonicContact OE1-NZ 3.87Å; E29-K32 PolarHBondContact OE1-NZ 2.92Å; E29-K32 IonicContact OE2-NZ 2.58Å; E29-A33 PolarHBondContact O-N 2.84Å; E29-A33 VanDerWaalsContact O-N 3.08Å
30L90.7Very high88.2Confident101 Ų10160.9 Ų60.953%0.52933%0.331SS..Hα-helixtrans-60.4-46.3172.2-69174.2000111.6N26 H27 K32 A33 E34N26-L30 WeakPolarHBondContact O-CG 3.22Å; N26-L30 PolarHBondContact O-N 3.04Å; H27-L30 PolarHBondContact O-N 3.42Å; L30-K32 PolarHBondContact O-N 3.25Å; L30-A33 WeakPolarHBondContact O-CB 3.38Å; L30-A33 PolarHBondContact O-N 3.44Å; L30-A33 VanDerWaalsContact O-N 3.15Å; L30-E34 PolarHBondContact O-N 2.87Å
31M86.7Confident87.9Confident17 Ų1766.3 Ų66.38%0.08436%0.359CS..Hα-helixtrans-66.1-36.3179.7-66.2-60.8-7100112.4H27 V28 A33 E34 Y35 L105 I106 I109H27-M31 VanDerWaalsContact O-CG 3.31Å; H27-M31 WeakPolarHBondContact O-CG 3.4Å; H27-M31 PolarHBondContact O-N 3.07Å; V28-M31 PolarHBondContact O-N 3.35Å; M31-A33 VanDerWaalsContact C-N 3.3Å; M31-A33 PolarHBondContact O-N 3.41Å; M31-E34 PolarHBondContact O-N 3.07Å; M31-Y35 HydrophobicContact CE-CD2 3.97Å; M31-Y35 HydrophobicContact CE-CE2 3.52Å; M31-Y35 WeakPolarHBondContact O-CD2 3.39Å; M31-Y35 PolarHBondContact O-N 3.43Å; M31-Y35 HydrophobicContact SD-CE2 4.38Å; M31-L105 HydrophobicContact CB-CD2 4.05Å; M31-L105 HydrophobicContact CG-CD2 3.6Å; M31-L105 HydrophobicContact CG-CG 4.31Å; M31-I106 HydrophobicContact CE-CG1 4.24Å; M31-I109 HydrophobicContact CB-CD1 4.24Å; M31-I109 HydrophobicContact CE-CD1 3.29Å
32K86.6Confident87.6Confident77 Ų7765.8 Ų65.834%0.33536%0.356SS..Hα-helixtrans-62.7-37.9172.4-74.4174.3-176.2168.70112.2V28 E29 L30 Y35 P36V28-K32 HydrophobicContact CG1-CD 4.34Å; V28-K32 WeakPolarHBondContact O-CG 3.18Å; V28-K32 PolarHBondContact O-N 3.39Å; E29-K32 PolarHBondContact O-N 2.84Å; E29-K32 IonicContact OE1-NZ 3.87Å; E29-K32 PolarHBondContact OE1-NZ 2.92Å; E29-K32 IonicContact OE2-NZ 2.58Å; L30-K32 PolarHBondContact O-N 3.25Å; K32-Y35 CarbonylContact O-C 3.44Å; K32-P36 WeakPolarHBondContact O-CA 3.42Å
33A89.7Confident87.4Confident80 Ų8066.1 Ų66.166%0.66136%0.355SS*.Hα-helixtrans-69.7-37177.200000111.9E29 L30 M31E29-A33 PolarHBondContact O-N 2.84Å; E29-A33 VanDerWaalsContact O-N 3.08Å; L30-A33 WeakPolarHBondContact O-CB 3.38Å; L30-A33 PolarHBondContact O-N 3.44Å; L30-A33 VanDerWaalsContact O-N 3.15Å; M31-A33 VanDerWaalsContact C-N 3.3Å; M31-A33 PolarHBondContact O-N 3.41Å
34E89.4Confident87.2Confident123 Ų12373.3 Ų73.358%0.57539%0.385SS*.Hα-helixtrans-71.7-36.3177.1-170.6172.1-179.500112.5L30 M31 P36L30-E34 PolarHBondContact O-N 2.87Å; M31-E34 PolarHBondContact O-N 3.07Å; E34-P36 VanDerWaalsContact C-CD 3.47Å; E34-P36 WeakPolarHBondContact O-CD 3.35Å
35Y87.1Confident87.1Confident76 Ų7675.3 Ų75.330%0.29840%0.395SS..  trans-122.767.9-177.8-56.1-77.3000112.5M31 K32 T37 I38 I109M31-Y35 HydrophobicContact CE-CD2 3.97Å; M31-Y35 HydrophobicContact CE-CE2 3.52Å; M31-Y35 WeakPolarHBondContact O-CD2 3.39Å; M31-Y35 PolarHBondContact O-N 3.43Å; M31-Y35 HydrophobicContact SD-CE2 4.38Å; K32-Y35 CarbonylContact O-C 3.44Å; Y35-T37 PolarHBondContact O-N 3.2Å; Y35-T37 VanDerWaalsContact O-N 3.11Å; Y35-I38 HydrophobicContact CD1-CD1 4.15Å; Y35-I38 HydrophobicContact CG-CD1 3.97Å; Y35-I38 PolarHBondContact O-N 3.09Å; Y35-I109 HydrophobicContact CD2-CD1 4.09Å; Y35-I109 HydrophobicContact CD2-CG2 4.36Å; Y35-I109 HydrophobicContact CE2-CD1 4.44Å; Y35-I109 HydrophobicContact CE2-CG2 4.41Å; Y35-I109 HydrophobicContact CG-CG2 4.49Å
36P84.9Confident87.1Confident93 Ų9376.5 Ų76.560%0.60440%0.403SS*.THydrogen-bonded Turntrans-65.6-20.4-172.326.6-35.9000114K32 E34 I38K32-P36 WeakPolarHBondContact O-CA 3.42Å; E34-P36 VanDerWaalsContact C-CD 3.47Å; E34-P36 WeakPolarHBondContact O-CD 3.35Å; P36-I38 VanDerWaalsContact C-N 3.29Å
37T83.2Confident87.1Confident101 Ų10174.9 Ų74.962%0.6240%0.396SS*.THydrogen-bonded Turntrans-79.9-10.7176.555.60000113.1Y35Y35-T37 PolarHBondContact O-N 3.2Å; Y35-T37 VanDerWaalsContact O-N 3.11Å
38I80.6Confident87.2Confident10 Ų1076.2 Ų76.25%0.05141%0.408CS..  trans-98110.5-178.5-55.8-176.7000109.2Y35 P36 L40 I109 M112 L113Y35-I38 HydrophobicContact CD1-CD1 4.15Å; Y35-I38 HydrophobicContact CG-CD1 3.97Å; Y35-I38 PolarHBondContact O-N 3.09Å; P36-I38 VanDerWaalsContact C-N 3.29Å; I38-L40 HydrophobicContact CG2-CD1 4.29Å; I38-L40 HydrophobicContact CG2-CD2 4.36Å; I38-L40 HydrophobicContact CG2-CG 3.89Å; I38-L40 PolarHBondContact O-N 3.47Å; I38-I109 HydrophobicContact CD1-CB 4.24Å; I38-I109 HydrophobicContact CD1-CG1 4.3Å; I38-I109 HydrophobicContact CD1-CG2 3.61Å; I38-I109 HydrophobicContact CG2-CG1 4.44Å; I38-M112 HydrophobicContact CG2-CB 4.06Å; I38-M112 HydrophobicContact CG2-CG 4.36Å; I38-M112 HydrophobicContact CG2-SD 3.34Å; I38-M112 WeakPolarHBondContact CG2-SD 3.44Å; I38-L113 HydrophobicContact CD1-CD1 4.2Å; I38-L113 HydrophobicContact CD1-CD2 3.81Å; I38-L113 HydrophobicContact CD1-CG 3.74Å; I38-L113 HydrophobicContact CG1-CD2 4.28Å
39H82.6Confident87.4Confident158 Ų15877 Ų7773%0.73141%0.411SS*.  trans-91.381.2-179.8-62-48.8000111.7
40L81.8Confident87.6Confident26 Ų2676.5 Ų76.514%0.13641%0.412CS..  trans-81.3122.7172.3-66.1165.3000110.9I38 F42 L105 R108 I109 M112I38-L40 HydrophobicContact CG2-CD1 4.29Å; I38-L40 HydrophobicContact CG2-CD2 4.36Å; I38-L40 HydrophobicContact CG2-CG 3.89Å; I38-L40 PolarHBondContact O-N 3.47Å; L40-F42 HydrophobicContact CB-CD2 3.99Å; L40-F42 HydrophobicContact CB-CE1 4.5Å; L40-F42 HydrophobicContact CB-CE2 3.21Å; L40-F42 HydrophobicContact CB-CZ 3.5Å; L40-F42 HydrophobicContact CD1-CE2 3.92Å; L40-F42 HydrophobicContact CD1-CZ 3.7Å; L40-F42 HydrophobicContact CG-CE2 4.17Å; L40-F42 HydrophobicContact CG-CZ 4.12Å; L40-F42 PolarHBondContact O-N 3.08Å; L40-L105 HydrophobicContact CD1-CD1 3.61Å; L40-R108 HydrophobicContact CD2-CB 3.93Å; L40-I109 HydrophobicContact CD1-CD1 4.08Å; L40-I109 HydrophobicContact CD1-CG1 3.67Å; L40-M112 HydrophobicContact CD2-CE 4.02Å; L40-M112 HydrophobicContact CD2-SD 3.47Å; L40-M112 WeakPolarHBondContact CD2-SD 3.48Å; L40-M112 HydrophobicContact CG-SD 4.1Å
41N84.6Confident87.7Confident127 Ų12777.8 Ų77.868%0.67942%0.415SS*.  trans-88.3107.3175.5-174.6-3.3000110.9T43N41-T43 VanDerWaalsContact OD1-CB 3.24Å; N41-T43 WeakPolarHBondContact OD1-CB 3.12Å; N41-T43 PolarHBondContact OD1-N 3.32Å; N41-T43 PolarHBondContact OD1-OG1 2.91Å
42F85.7Confident88.1Confident18 Ų1880.5 Ų80.58%0.07943%0.428CS..  trans-103.213.3175.9-62.7-72.1000113.9V28 L40 Q44 L45 N46 L105V28-F42 HydrophobicContact CB-CE2 4.49Å; V28-F42 HydrophobicContact CG1-CD2 3.4Å; V28-F42 VanDerWaalsContact CG1-CD2 3.4Å; V28-F42 HydrophobicContact CG1-CE2 3.41Å; V28-F42 VanDerWaalsContact CG1-CE2 3.41Å; V28-F42 HydrophobicContact CG1-CG 4Å; V28-F42 HydrophobicContact CG1-CZ 4.08Å; V28-F42 HydrophobicContact CG2-CD1 4.49Å; V28-F42 HydrophobicContact CG2-CE1 4.24Å; V28-F42 HydrophobicContact CG2-CE2 4.34Å; V28-F42 HydrophobicContact CG2-CZ 4.17Å; L40-F42 HydrophobicContact CB-CD2 3.99Å; L40-F42 HydrophobicContact CB-CE1 4.5Å; L40-F42 HydrophobicContact CB-CE2 3.21Å; L40-F42 HydrophobicContact CB-CZ 3.5Å; L40-F42 HydrophobicContact CD1-CE2 3.92Å; L40-F42 HydrophobicContact CD1-CZ 3.7Å; L40-F42 HydrophobicContact CG-CE2 4.17Å; L40-F42 HydrophobicContact CG-CZ 4.12Å; L40-F42 PolarHBondContact O-N 3.08Å; F42-Q44 PolarHBondContact O-N 3.27Å; F42-L45 HydrophobicContact CD1-CD2 3.94Å; F42-L45 PolarHBondContact O-N 3.38Å; F42-L45 VanDerWaalsContact O-N 3.13Å; F42-N46 WeakPolarHBondContact O-CB 3.12Å; F42-N46 PolarHBondContact O-N 2.93Å; F42-L105 HydrophobicContact CE1-CD1 4.07Å; F42-L105 HydrophobicContact CE2-CD1 4.37Å; F42-L105 HydrophobicContact CZ-CD1 3.41Å; F42-L105 VanDerWaalsContact CZ-CD1 3.41Å
43T88.4Confident88.6Confident89 Ų8977.5 Ų77.555%0.54642%0.417SS..Hα-helixtrans-56.5-48.7-174.3-54.90000111.7N41 L45 N46 T47N41-T43 VanDerWaalsContact OD1-CB 3.24Å; N41-T43 WeakPolarHBondContact OD1-CB 3.12Å; N41-T43 PolarHBondContact OD1-N 3.32Å; N41-T43 PolarHBondContact OD1-OG1 2.91Å; T43-L45 VanDerWaalsContact C-N 3.32Å; T43-L45 PolarHBondContact O-N 2.91Å; T43-N46 PolarHBondContact O-N 3.31Å; T43-T47 PolarHBondContact O-N 3.37Å; T43-T47 PolarHBondContact O-OG1 3.35Å; T43-T47 VanDerWaalsContact O-OG1 3.08Å
44Q88.7Confident88.9Confident173 Ų17379.1 Ų79.181%0.80841%0.411SS*.Hα-helixtrans-62.5-40.2178.9-69.9179.4-11.800112.4F42 T47 C48F42-Q44 PolarHBondContact O-N 3.27Å; Q44-T47 PolarHBondContact O-N 3.44Å; Q44-C48 WeakPolarHBondContact O-CB 3.46Å; Q44-C48 PolarHBondContact O-N 3.49Å
45L87.9Confident89.2Confident47 Ų4778.1 Ų78.125%0.24641%0.406CS..Hα-helixtrans-67.7-43.1179.4-173.757000111.2F24 F42 T43 C48 F49F24-L45 HydrophobicContact CD1-CD2 4.32Å; F24-L45 HydrophobicContact CE1-CD2 3.21Å; F24-L45 HydrophobicContact CE1-CG 4.06Å; F24-L45 HydrophobicContact CZ-CD2 3.45Å; F24-L45 VanDerWaalsContact CZ-CD2 3.45Å; F42-L45 HydrophobicContact CD1-CD2 3.94Å; F42-L45 PolarHBondContact O-N 3.38Å; F42-L45 VanDerWaalsContact O-N 3.13Å; T43-L45 VanDerWaalsContact C-N 3.32Å; T43-L45 PolarHBondContact O-N 2.91Å; L45-C48 PolarHBondContact O-N 3.17Å; L45-F49 HydrophobicContact CD1-CD1 3.85Å; L45-F49 HydrophobicContact CD1-CE1 3.42Å; L45-F49 VanDerWaalsContact CD1-CE1 3.42Å; L45-F49 HydrophobicContact CD1-CZ 3.88Å; L45-F49 HydrophobicContact CG-CD1 4.4Å; L45-F49 HydrophobicContact CG-CE1 4.2Å; L45-F49 HydrophobicContact CG-CZ 4.35Å; L45-F49 WeakPolarHBondContact O-CB 3.38Å; L45-F49 WeakPolarHBondContact O-CD1 3.28Å; L45-F49 WeakPolarHBondContact O-CG 3.5Å; L45-F49 PolarHBondContact O-N 3.05Å
46N88.8Confident89.6Confident64 Ų6476.9 Ų76.934%0.34240%0.402SS..Hα-helixtrans-62.5-42.9175.8-17040.1000111.4M25 F42 T43 F49 N50M25-N46 HydrophobicContact CE-CB 4.3Å; M25-N46 WeakPolarHBondContact CE-OD1 3.38Å; F42-N46 WeakPolarHBondContact O-CB 3.12Å; F42-N46 PolarHBondContact O-N 2.93Å; T43-N46 PolarHBondContact O-N 3.31Å; N46-F49 PolarHBondContact O-N 3.48Å; N46-N50 WeakPolarHBondContact O-CB 3.3Å; N46-N50 VanDerWaalsContact O-CG 3.25Å; N46-N50 PolarHBondContact O-N 2.88Å; N46-N50 PolarHBondContact O-ND2 3.49Å; N46-N50 PolarHBondContact OD1-ND2 3.12Å
47T92.9Very high90.2Very high67 Ų6777.6 Ų77.641%0.41140%0.395SS..Hα-helixtrans-58.7-50.8174-610000111.1T43 Q44 F49 N50 E51T43-T47 PolarHBondContact O-N 3.37Å; T43-T47 PolarHBondContact O-OG1 3.35Å; T43-T47 VanDerWaalsContact O-OG1 3.08Å; Q44-T47 PolarHBondContact O-N 3.44Å; T47-F49 VanDerWaalsContact C-N 3.32Å; T47-F49 PolarHBondContact O-N 3.29Å; T47-N50 PolarHBondContact O-N 2.95Å; T47-E51 WeakPolarHBondContact O-CG 3.4Å; T47-E51 PolarHBondContact O-N 3.36Å
48C92.8Very high90.9Very high56 Ų5679.2 Ų79.238%0.37839%0.393SS..Hα-helixtrans-57.4-45.7177.4-179.60000111.6Q44 L45 N50 E51 Q52Q44-C48 WeakPolarHBondContact O-CB 3.46Å; Q44-C48 PolarHBondContact O-N 3.49Å; L45-C48 PolarHBondContact O-N 3.17Å; C48-N50 PolarHBondContact O-N 2.77Å; C48-E51 PolarHBondContact O-N 3.34Å; C48-Q52 WeakPolarHBondContact O-CB 3.42Å; C48-Q52 VanDerWaalsContact O-CG 3.26Å; C48-Q52 WeakPolarHBondContact O-CG 3.41Å; C48-Q52 PolarHBondContact O-N 2.8Å
49F93Very high91.6Very high16 Ų1680.6 Ų80.67%0.0740%0.4CS..Hα-helixtrans-65.1-40.3-179.3-82.922000112.1M21 F24 M25 L45 N46 T47 Q52 A53M21-F49 HydrophobicContact CB-CD2 3.81Å; M21-F49 HydrophobicContact CB-CE2 4.08Å; M21-F49 HydrophobicContact CB-CG 4.42Å; M21-F49 HydrophobicContact CG-CD1 4.47Å; M21-F49 HydrophobicContact CG-CD2 3.85Å; M21-F49 HydrophobicContact CG-CE2 4.01Å; M21-F49 HydrophobicContact CG-CG 4.08Å; M21-F49 HydrophobicContact CG-CZ 4.41Å; F24-F49 HydrophobicContact CB-CE2 4.12Å; F24-F49 HydrophobicContact CD1-CD2 4.28Å; F24-F49 AromaticContact CD1-CE2 3.37Å; F24-F49 HydrophobicContact CD1-CE2 3.37Å; F24-F49 AromaticContact CD1-CZ 3.91Å; F24-F49 HydrophobicContact CD1-CZ 3.91Å; F24-F49 HydrophobicContact CE1-CE2 4.15Å; F24-F49 HydrophobicContact CE1-CZ 4.43Å; F24-F49 HydrophobicContact CG-CE2 4.03Å; F24-F49 HydrophobicContact CG-CZ 4.43Å; M25-F49 HydrophobicContact CG-CD2 3.95Å; M25-F49 HydrophobicContact CG-CE2 4.48Å; M25-F49 HydrophobicContact SD-CD2 4.07Å; L45-F49 HydrophobicContact CD1-CD1 3.85Å; L45-F49 HydrophobicContact CD1-CE1 3.42Å; L45-F49 VanDerWaalsContact CD1-CE1 3.42Å; L45-F49 HydrophobicContact CD1-CZ 3.88Å; L45-F49 HydrophobicContact CG-CD1 4.4Å; L45-F49 HydrophobicContact CG-CE1 4.2Å; L45-F49 HydrophobicContact CG-CZ 4.35Å; L45-F49 WeakPolarHBondContact O-CB 3.38Å; L45-F49 WeakPolarHBondContact O-CD1 3.28Å; L45-F49 WeakPolarHBondContact O-CG 3.5Å; L45-F49 PolarHBondContact O-N 3.05Å; N46-F49 PolarHBondContact O-N 3.48Å; T47-F49 VanDerWaalsContact C-N 3.32Å; T47-F49 PolarHBondContact O-N 3.29Å; F49-Q52 PolarHBondContact O-N 2.97Å; F49-A53 WeakPolarHBondContact O-CB 3.16Å; F49-A53 PolarHBondContact O-N 3.33Å
50N92.7Very high92.2Very high88 Ų8877.2 Ų77.247%0.47138%0.384SS..Hα-helixtrans-64.8-43176.3-71.1-37000111.8N46 T47 C48 A53 E54N46-N50 WeakPolarHBondContact O-CB 3.3Å; N46-N50 VanDerWaalsContact O-CG 3.25Å; N46-N50 PolarHBondContact O-N 2.88Å; N46-N50 PolarHBondContact O-ND2 3.49Å; N46-N50 PolarHBondContact OD1-ND2 3.12Å; T47-N50 PolarHBondContact O-N 2.95Å; C48-N50 PolarHBondContact O-N 2.77Å; N50-A53 PolarHBondContact O-N 3.34Å; N50-E54 PolarHBondContact O-N 3.41Å
51E94.3Very high92.9Very high127 Ų12779.8 Ų79.859%0.59340%0.404SS*.Hα-helixtrans-61.6-45.5175.8-71.9174.1-17600111.9T47 C48T47-E51 WeakPolarHBondContact O-CG 3.4Å; T47-E51 PolarHBondContact O-N 3.36Å; C48-E51 PolarHBondContact O-N 3.34Å
52Q95.2Very high93.4Very high75 Ų7577.7 Ų77.735%0.3539%0.392SS..Hα-helixtrans-70.7-34.9179.2-64.8-59.1-46.700112.3M21 C48 F49 E54 H55 Y56M21-Q52 HydrophobicContact CE-CB 3.54Å; M21-Q52 HydrophobicContact CE-CG 4.5Å; M21-Q52 HydrophobicContact SD-CB 4.38Å; C48-Q52 WeakPolarHBondContact O-CB 3.42Å; C48-Q52 VanDerWaalsContact O-CG 3.26Å; C48-Q52 WeakPolarHBondContact O-CG 3.41Å; C48-Q52 PolarHBondContact O-N 2.8Å; F49-Q52 PolarHBondContact O-N 2.97Å; Q52-E54 VanDerWaalsContact C-N 3.28Å; Q52-E54 PolarHBondContact O-N 3.42Å; Q52-H55 WeakPolarHBondContact O-CB 3.13Å; Q52-H55 PolarHBondContact O-N 3.49Å; Q52-H55 VanDerWaalsContact O-N 3.12Å; Q52-Y56 HydrophobicContact CB-CD2 4.35Å; Q52-Y56 HydrophobicContact CB-CE2 4.17Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.16Å; Q52-Y56 PolarHBondContact O-N 3.02Å
53A95.6Very high93.8Very high14 Ų1478.5 Ų78.512%0.11640%0.396CS..Hα-helixtrans-59.8-39.5178.200000111.5L18 M21 F49 N50 H55 Y56 K57L18-A53 HydrophobicContact CD2-CB 4.07Å; M21-A53 HydrophobicContact SD-CB 4.34Å; F49-A53 WeakPolarHBondContact O-CB 3.16Å; F49-A53 PolarHBondContact O-N 3.33Å; N50-A53 PolarHBondContact O-N 3.34Å; A53-H55 VanDerWaalsContact C-N 3.35Å; A53-H55 PolarHBondContact O-N 3.34Å; A53-Y56 PolarHBondContact O-N 3.39Å; A53-K57 WeakPolarHBondContact O-CB 3.08Å; A53-K57 WeakPolarHBondContact O-CG 3.48Å; A53-K57 PolarHBondContact O-N 2.93Å
54E95.8Very high94Very high113 Ų11375.6 Ų75.653%0.52838%0.38SS..Hα-helixtrans-63.9-40.1175.3-66.2-51.3121.500112.2N50 Q52 K57 K58N50-E54 PolarHBondContact O-N 3.41Å; Q52-E54 VanDerWaalsContact C-N 3.28Å; Q52-E54 PolarHBondContact O-N 3.42Å; E54-K57 PolarHBondContact O-N 3.04Å; E54-K57 IonicContact OE1-NZ 3.54Å; E54-K57 PolarHBondContact OE1-NZ 3.46Å; E54-K58 PolarHBondContact O-N 2.94Å
55H96.4Very high94Very high102 Ų10270.8 Ų70.847%0.47236%0.357SS..Hα-helixtrans-62.1-45.2174.7176.8-97.4000112Q52 A53 K58 M59Q52-H55 WeakPolarHBondContact O-CB 3.13Å; Q52-H55 PolarHBondContact O-N 3.49Å; Q52-H55 VanDerWaalsContact O-N 3.12Å; A53-H55 VanDerWaalsContact C-N 3.35Å; A53-H55 PolarHBondContact O-N 3.34Å; H55-K58 PolarHBondContact O-N 2.65Å; H55-M59 PolarHBondContact O-N 2.78Å
56Y96.7Very high94.1Very high51 Ų5175.4 Ų75.420%0.238%0.378CS..Hα-helixtrans-71.8-36179.1-69.6-61.8000113.1V13 A14 A17 M21 Q52 A53 K58 M59 K60V13-Y56 HydrophobicContact CG1-CE1 3.98Å; A14-Y56 HydrophobicContact CB-CD1 4.28Å; A14-Y56 WeakPolarHBondContact CB-O 3.27Å; A17-Y56 HydrophobicContact CB-CD1 3.78Å; A17-Y56 HydrophobicContact CB-CD2 3.58Å; A17-Y56 HydrophobicContact CB-CE1 3.73Å; A17-Y56 HydrophobicContact CB-CE2 3.54Å; A17-Y56 HydrophobicContact CB-CG 3.7Å; M21-Y56 HydrophobicContact CE-CD2 3.7Å; M21-Y56 HydrophobicContact CE-CE2 3.53Å; Q52-Y56 HydrophobicContact CB-CD2 4.35Å; Q52-Y56 HydrophobicContact CB-CE2 4.17Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.16Å; Q52-Y56 PolarHBondContact O-N 3.02Å; A53-Y56 PolarHBondContact O-N 3.39Å; Y56-K58 VanDerWaalsContact C-N 3.31Å; Y56-K58 PolarHBondContact O-N 2.87Å; Y56-M59 HydrophobicContact CD1-SD 4.37Å; Y56-M59 PolarHBondContact O-N 3.07Å; Y56-K60 WeakPolarHBondContact O-CB 3.28Å; Y56-K60 PolarHBondContact O-N 3.37Å
57K97Very high94.2Very high107 Ų10775.2 Ų75.247%0.46538%0.376SS..Hα-helixtrans-58-45.6171.4-76169.9-169.6171.70111.1L18 A53 E54 K60 S61L18-K57 HydrophobicContact CD1-CG 4.25Å; L18-K57 HydrophobicContact CD2-CG 4.11Å; A53-K57 WeakPolarHBondContact O-CB 3.08Å; A53-K57 WeakPolarHBondContact O-CG 3.48Å; A53-K57 PolarHBondContact O-N 2.93Å; E54-K57 PolarHBondContact O-N 3.04Å; E54-K57 IonicContact OE1-NZ 3.54Å; E54-K57 PolarHBondContact OE1-NZ 3.46Å; K57-K60 PolarHBondContact O-N 3.26Å; K57-S61 PolarHBondContact O-N 3.45Å
58K96.8Very high94Very high135 Ų13572 Ų7259%0.58736%0.356SS*.Hα-helixtrans-61.9-48.5175-174.3-179.2177.4-175.10111.4E54 H55 Y56 K60 S61 D62E54-K58 PolarHBondContact O-N 2.94Å; H55-K58 PolarHBondContact O-N 2.65Å; Y56-K58 VanDerWaalsContact C-N 3.31Å; Y56-K58 PolarHBondContact O-N 2.87Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 2.94Å; K58-S61 WeakPolarHBondContact O-CB 3.13Å; K58-S61 PolarHBondContact O-N 2.93Å; K58-S61 VanDerWaalsContact O-N 3.09Å; K58-D62 WeakPolarHBondContact O-CB 3.3Å; K58-D62 VanDerWaalsContact O-CG 3.31Å; K58-D62 PolarHBondContact O-N 3.48Å
59M96.4Very high93.6Very high39 Ų3974.5 Ų74.519%0.19236%0.362CS..Hα-helixtrans-56.8-43.9177.9-177.8-179.9-65.500112.3K10 V13 A14 H55 Y56 S61 D62 H63K10-M59 HydrophobicContact CB-CG 4.45Å; K10-M59 HydrophobicContact CB-SD 4.44Å; V13-M59 HydrophobicContact CB-SD 4.41Å; V13-M59 HydrophobicContact CG1-SD 4.21Å; A14-M59 HydrophobicContact CB-CB 4.07Å; A14-M59 HydrophobicContact CB-CG 4.04Å; A14-M59 HydrophobicContact CB-SD 4.14Å; H55-M59 PolarHBondContact O-N 2.78Å; Y56-M59 HydrophobicContact CD1-SD 4.37Å; Y56-M59 PolarHBondContact O-N 3.07Å; M59-S61 VanDerWaalsContact C-N 3.34Å; M59-D62 PolarHBondContact O-N 3.01Å; M59-H63 PolarHBondContact O-N 3.33Å; M59-H63 VanDerWaalsContact O-N 3.09Å; M59-H63 PolarHBondContact O-ND1 3.38Å
60K94.9Very high93.3Very high88 Ų8880.7 Ų80.738%0.38339%0.393SS..Hα-helixtrans-62.6-40.4176.1-175.3-178.6178.6167.10111.8A14 D15 L18 Y56 K57 K58 H63 S64A14-K60 HydrophobicContact CB-CB 3.83Å; D15-K60 WeakPolarHBondContact OD1-CD 3.33Å; D15-K60 WeakPolarHBondContact OD1-CE 3.31Å; D15-K60 IonicContact OD1-NZ 3.94Å; D15-K60 PolarHBondContact OD1-NZ 2.86Å; D15-K60 IonicContact OD2-NZ 3.81Å; L18-K60 HydrophobicContact CD1-CD 4.34Å; Y56-K60 WeakPolarHBondContact O-CB 3.28Å; Y56-K60 PolarHBondContact O-N 3.37Å; K57-K60 PolarHBondContact O-N 3.26Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 2.94Å; K60-H63 CarbonylContact O-C 3.25Å; K60-H63 VanDerWaalsContact O-C 3.25Å; K60-S64 WeakPolarHBondContact O-CA 3.4Å; K60-S64 PolarHBondContact O-N 3.46Å
61S95.5Very high92.9Very high80 Ų8079.7 Ų79.756%0.55939%0.388SS*.Hα-helixtrans-66.6-44.4175.8-172.10000112.1K57 K58 M59 H63 S64K57-S61 PolarHBondContact O-N 3.45Å; K58-S61 WeakPolarHBondContact O-CB 3.13Å; K58-S61 PolarHBondContact O-N 2.93Å; K58-S61 VanDerWaalsContact O-N 3.09Å; M59-S61 VanDerWaalsContact C-N 3.34Å; S61-H63 PolarHBondContact O-N 2.89Å; S61-S64 PolarHBondContact O-N 3.33Å
62D95.3Very high92.1Very high83 Ų8374.9 Ų74.944%0.44437%0.367SS..Hα-helixtrans-67.8-20.3-179.7-68.8-13.4000112.5K58 M59K58-D62 WeakPolarHBondContact O-CB 3.3Å; K58-D62 VanDerWaalsContact O-CG 3.31Å; K58-D62 PolarHBondContact O-N 3.48Å; M59-D62 PolarHBondContact O-N 3.01Å
63H94.7Very high90.9Very high34 Ų3478.6 Ų78.616%0.15738%0.384CS..THydrogen-bonded Turntrans-126.743.1178.3-52.280.3000110.1K10 R11 M59 K60 S61 C68K10-H63 HydrophobicContact CB-CB 4.37Å; K10-H63 WeakPolarHBondContact CD-NE2 3.47Å; K10-H63 PolarHBondContact NZ-NE2 3.39Å; R11-H63 HydrophobicContact CB-CB 4.35Å; R11-H63 WeakPolarHBondContact CB-O 3.12Å; R11-H63 VanDerWaalsContact CG-O 3.3Å; R11-H63 WeakPolarHBondContact CG-O 3.2Å; M59-H63 PolarHBondContact O-N 3.33Å; M59-H63 VanDerWaalsContact O-N 3.09Å; M59-H63 PolarHBondContact O-ND1 3.38Å; K60-H63 CarbonylContact O-C 3.25Å; K60-H63 VanDerWaalsContact O-C 3.25Å; S61-H63 PolarHBondContact O-N 2.89Å; H63-C68 PolarHBondContact O-SG 3.27Å; H63-C68 VanDerWaalsContact O-SG 3.41Å
64S92.7Very high89.6Confident28 Ų2886.9 Ų86.920%0.19641%0.414CS..  trans-59.5159.6179.472.50000111.1K60 S61 E66 I67 C68K60-S64 WeakPolarHBondContact O-CA 3.4Å; K60-S64 PolarHBondContact O-N 3.46Å; S61-S64 PolarHBondContact O-N 3.33Å; S64-E66 PolarHBondContact O-N 3.35Å; S64-I67 PolarHBondContact O-N 3.43Å; S64-I67 WeakPolarHBondContact OG-CG1 3.19Å; S64-I67 PolarHBondContact OG-N 2.93Å; S64-C68 PolarHBondContact O-N 3Å; S64-C68 PolarHBondContact O-SG 2.93Å; S64-C68 VanDerWaalsContact O-SG 3.39Å
65E89Confident88.3Confident72 Ų7288.6 Ų88.634%0.33643%0.426SS..Hα-helixtrans-52.9-43.7175.6179.661.2-165.300111.4R11 I67 C68 Q69R11-E65 IonicContact CZ-OE2 3.75Å; R11-E65 IonicContact NE-OE2 2.82Å; R11-E65 IonicContact NH1-OE2 3.11Å; R11-E65 PolarHBondContact NH1-OE2 3.46Å; R11-E65 IonicContact NH2-OE2 2.96Å; E65-I67 PolarHBondContact O-N 2.99Å; E65-C68 PolarHBondContact O-N 3.29Å; E65-Q69 HydrophobicContact CG-CG 4.26Å; E65-Q69 WeakPolarHBondContact O-CB 3.3Å; E65-Q69 VanDerWaalsContact O-CG 3.24Å; E65-Q69 WeakPolarHBondContact O-CG 3.23Å; E65-Q69 PolarHBondContact O-N 3.46Å; E65-Q69 WeakPolarHBondContact OE1-CG 3.45Å; E65-Q69 PolarHBondContact OE1-NE2 2.98Å
66E89.7Confident87.2Confident145 Ų14585.5 Ų85.568%0.67842%0.416SS*.Hα-helixtrans-59.2-44.3177.1-63.6167.4178.600111.8S64 M70S64-E66 PolarHBondContact O-N 3.35Å; E66-M70 WeakPolarHBondContact O-CE 3.35Å; E66-M70 WeakPolarHBondContact O-CG 3.3Å; E66-M70 PolarHBondContact O-N 2.85Å; E66-M70 VanDerWaalsContact O-N 3.12Å
67I91Very high86.4Confident59 Ų5987.1 Ų87.130%0.30344%0.435SS..Hα-helixtrans-65.1-45.1177.1-69.5170.3000110.7S64 E65 M70 L71S64-I67 PolarHBondContact O-N 3.43Å; S64-I67 WeakPolarHBondContact OG-CG1 3.19Å; S64-I67 PolarHBondContact OG-N 2.93Å; E65-I67 PolarHBondContact O-N 2.99Å; I67-M70 HydrophobicContact CG1-CE 4.19Å; I67-M70 PolarHBondContact O-N 3.42Å; I67-L71 HydrophobicContact CG2-CD1 4.24Å; I67-L71 WeakPolarHBondContact O-CG 3.31Å; I67-L71 PolarHBondContact O-N 3.43Å
68C89Confident85.5Confident0 Ų086.1 Ų86.10%044%0.435CS..Hα-helixtrans-66.3-42.8-179.6-59.60000111.7C7 K8 H63 S64 E65 M70 L71 T72C7-C68 HydrophobicContact CB-CB 3.84Å; C7-C68 WeakPolarHBondContact CB-SG 3.26Å; C7-C68 WeakPolarHBondContact SG-CA 3.42Å; C7-C68 WeakPolarHBondContact SG-CB 3.48Å; C7-C68 CovalentContact SG-SG 2.05Å; C7-C68 PolarHBondContact SG-SG 3.47Å; K8-C68 HydrophobicContact CG-CB 4.03Å; H63-C68 PolarHBondContact O-SG 3.27Å; H63-C68 VanDerWaalsContact O-SG 3.41Å; S64-C68 PolarHBondContact O-N 3Å; S64-C68 PolarHBondContact O-SG 2.93Å; S64-C68 VanDerWaalsContact O-SG 3.39Å; E65-C68 PolarHBondContact O-N 3.29Å; C68-M70 VanDerWaalsContact C-N 3.31Å; C68-M70 PolarHBondContact O-N 2.98Å; C68-L71 WeakPolarHBondContact O-CA 3.44Å; C68-L71 WeakPolarHBondContact O-CB 3.41Å; C68-L71 PolarHBondContact O-N 2.89Å; C68-T72 PolarHBondContact O-N 3.02Å; C68-T72 VanDerWaalsContact O-N 3.16Å; C68-T72 PolarHBondContact O-OG1 3.41Å
69Q84.4Confident84.8Confident108 Ų10880.2 Ų80.251%0.50541%0.41SS..Hα-helixtrans-59.9-38.2175.9-74.9178.4-0.900112.6E65 L71 T72E65-Q69 HydrophobicContact CG-CG 4.26Å; E65-Q69 WeakPolarHBondContact O-CB 3.3Å; E65-Q69 VanDerWaalsContact O-CG 3.24Å; E65-Q69 WeakPolarHBondContact O-CG 3.23Å; E65-Q69 PolarHBondContact O-N 3.46Å; E65-Q69 WeakPolarHBondContact OE1-CG 3.45Å; E65-Q69 PolarHBondContact OE1-NE2 2.98Å; Q69-L71 PolarHBondContact O-N 3.38Å; Q69-T72 WeakPolarHBondContact O-CB 3.47Å; Q69-T72 PolarHBondContact O-N 2.89Å; Q69-T72 VanDerWaalsContact O-N 3.11Å
70M86Confident84.2Confident147 Ų14784.4 Ų84.472%0.72443%0.429SS*.Hα-helixtrans-63.2-23.6174.4-75.3-172.7-72.100113.1E66 I67 C68E66-M70 WeakPolarHBondContact O-CE 3.35Å; E66-M70 WeakPolarHBondContact O-CG 3.3Å; E66-M70 PolarHBondContact O-N 2.85Å; E66-M70 VanDerWaalsContact O-N 3.12Å; I67-M70 HydrophobicContact CG1-CE 4.19Å; I67-M70 PolarHBondContact O-N 3.42Å; C68-M70 VanDerWaalsContact C-N 3.31Å; C68-M70 PolarHBondContact O-N 2.98Å
71L84.2Confident83.8Confident67 Ų6785 Ų8535%0.35143%0.433SS..Hα-helixtrans-89.3-15.8177.7-59.8165.8000112.2V3 C7 I67 C68 Q69 Q73V3-L71 HydrophobicContact CG1-CB 4.34Å; V3-L71 HydrophobicContact CG1-CD1 3.94Å; V3-L71 HydrophobicContact CG1-CD2 3.92Å; V3-L71 HydrophobicContact CG1-CG 4.27Å; C7-L71 HydrophobicContact CB-CD1 4.08Å; I67-L71 HydrophobicContact CG2-CD1 4.24Å; I67-L71 WeakPolarHBondContact O-CG 3.31Å; I67-L71 PolarHBondContact O-N 3.43Å; C68-L71 WeakPolarHBondContact O-CA 3.44Å; C68-L71 WeakPolarHBondContact O-CB 3.41Å; C68-L71 PolarHBondContact O-N 2.89Å; Q69-L71 PolarHBondContact O-N 3.38Å; L71-Q73 PolarHBondContact O-N 3.46Å
72T77.5Confident83.4Confident25 Ų2583.5 Ų83.515%0.15342%0.418CS..  trans-75.199.2173.5-51.10000109.8D4 C68 Q69 L79D4-T72 PolarHBondContact OD1-OG1 3.47Å; D4-T72 WeakPolarHBondContact OD2-CB 3.45Å; D4-T72 WeakPolarHBondContact OD2-CG2 3.41Å; D4-T72 PolarHBondContact OD2-OG1 3.29Å; C68-T72 PolarHBondContact O-N 3.02Å; C68-T72 VanDerWaalsContact O-N 3.16Å; C68-T72 PolarHBondContact O-OG1 3.41Å; Q69-T72 WeakPolarHBondContact O-CB 3.47Å; Q69-T72 PolarHBondContact O-N 2.89Å; Q69-T72 VanDerWaalsContact O-N 3.11Å; T72-L79 HydrophobicContact CG2-CD1 3.83Å
73Q70.9Confident83Confident154 Ų15481.4 Ų81.472%0.7241%0.407SS*.  trans-77.2-21.9-179.5-69.9-178.2-15.400113.5L71L71-Q73 PolarHBondContact O-N 3.46Å
74Y67.7Low82.8Confident187 Ų18783.6 Ų83.673%0.73342%0.422SS*.SBendtrans-154.9134.9179.2-60.1-79.5000109.3S76 L79Y74-S76 PolarHBondContact O-N 3.18Å; Y74-L79 WeakPolarHBondContact O-CD1 3.39Å
75N67.7Low82.8Confident149 Ų14988.7 Ų88.780%0.79744%0.438SS*.  trans-77.9108.7166.5-72.3-7.4000108.2
76S73.4Confident82.9Confident37 Ų3786 Ų8626%0.25943%0.426SS..  trans-112.4152.8169.165.20000110Y74 D78 L79 E80Y74-S76 PolarHBondContact O-N 3.18Å; S76-D78 PolarHBondContact O-N 3.48Å; S76-D78 VanDerWaalsContact O-N 3.16Å; S76-L79 WeakPolarHBondContact O-CB 3.4Å; S76-L79 PolarHBondContact O-N 3.08Å; S76-L79 PolarHBondContact OG-N 3.38Å; S76-E80 PolarHBondContact O-N 3.42Å
77S80.5Confident82.9Confident85 Ų8582.4 Ų82.459%0.59441%0.411SS*.Hα-helixtrans-51.7-34.7171.450.40000112.3L79 E80 E81S77-L79 VanDerWaalsContact C-N 3.29Å; S77-L79 PolarHBondContact O-N 3.25Å; S77-E80 PolarHBondContact O-N 3.23Å; S77-E81 PolarHBondContact O-N 3.33Å
78D79.2Confident83Confident87 Ų8784.5 Ų84.547%0.46542%0.421SS..Hα-helixtrans-64-34.5178.7-53.6-21.6000112.1S76 I82S76-D78 PolarHBondContact O-N 3.48Å; S76-D78 VanDerWaalsContact O-N 3.16Å; D78-I82 WeakPolarHBondContact O-CB 3.29Å; D78-I82 WeakPolarHBondContact O-CD1 3.35Å; D78-I82 WeakPolarHBondContact O-CG1 3.37Å; D78-I82 PolarHBondContact O-N 2.97Å
79L80.5Confident83.2Confident10 Ų1089.8 Ų89.85%0.05244%0.444CS..Hα-helixtrans-70.2-39.1175.9-71.7179000111.4M1 I5 T72 Y74 S76 S77 E81 I82 D83M1-L79 HydrophobicContact CG-CD2 3.87Å; I5-L79 HydrophobicContact CG1-CD2 4.2Å; T72-L79 HydrophobicContact CG2-CD1 3.83Å; Y74-L79 WeakPolarHBondContact O-CD1 3.39Å; S76-L79 WeakPolarHBondContact O-CB 3.4Å; S76-L79 PolarHBondContact O-N 3.08Å; S76-L79 PolarHBondContact OG-N 3.38Å; S77-L79 VanDerWaalsContact C-N 3.29Å; S77-L79 PolarHBondContact O-N 3.25Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-I82 PolarHBondContact O-N 2.98Å; L79-D83 WeakPolarHBondContact O-CB 3.44Å; L79-D83 PolarHBondContact O-N 2.95Å
80E83.6Confident83.7Confident128 Ų12885.8 Ų85.860%0.59843%0.425SS*.Hα-helixtrans-62.9-42.7175.7-64.3178.9177.300111.1S76 S77 D83 V84S76-E80 PolarHBondContact O-N 3.42Å; S77-E80 PolarHBondContact O-N 3.23Å; E80-D83 PolarHBondContact O-N 2.95Å; E80-V84 WeakPolarHBondContact O-CG2 3.49Å; E80-V84 PolarHBondContact O-N 3.08Å
81E88.1Confident83.9Confident101 Ų10185.1 Ų85.147%0.47242%0.415SS..Hα-helixtrans-63.8-43.2176.6-164.5-172.6168.600111.5S77 L79 D83 V84 Y85S77-E81 PolarHBondContact O-N 3.33Å; L79-E81 VanDerWaalsContact C-N 3.34Å; E81-D83 VanDerWaalsContact C-N 3.34Å; E81-D83 PolarHBondContact O-N 3.42Å; E81-V84 PolarHBondContact O-N 3.46Å; E81-Y85 HydrophobicContact CG-CD2 4.1Å; E81-Y85 HydrophobicContact CG-CE2 3.49Å; E81-Y85 VanDerWaalsContact CG-CE2 3.49Å; E81-Y85 WeakPolarHBondContact O-CD2 3.43Å; E81-Y85 PolarHBondContact O-N 3.11Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.24Å; E81-Y85 PolarHBondContact OE1-OH 2.93Å
82I87.1Confident84.3Confident48 Ų4885.7 Ų85.725%0.24642%0.419CS..Hα-helixtrans-63.3-41.1176.6-70.7167000111.2I5 D78 L79 V84 Y85 I86I5-I82 HydrophobicContact CD1-CD1 3.71Å; I5-I82 HydrophobicContact CD1-CG2 4.26Å; I5-I82 HydrophobicContact CG1-CD1 4.45Å; I5-I82 HydrophobicContact CG1-CG2 4.02Å; I5-I82 HydrophobicContact CG2-CG2 4.01Å; D78-I82 WeakPolarHBondContact O-CB 3.29Å; D78-I82 WeakPolarHBondContact O-CD1 3.35Å; D78-I82 WeakPolarHBondContact O-CG1 3.37Å; D78-I82 PolarHBondContact O-N 2.97Å; L79-I82 PolarHBondContact O-N 2.98Å; I82-V84 VanDerWaalsContact C-N 3.31Å; I82-V84 PolarHBondContact O-N 2.71Å; I82-Y85 PolarHBondContact O-N 3.43Å; I82-Y85 VanDerWaalsContact O-N 3.17Å; I82-I86 HydrophobicContact CG2-CD1 3.81Å; I82-I86 HydrophobicContact CG2-CG1 4.24Å; I82-I86 VanDerWaalsContact O-CG1 3.3Å; I82-I86 WeakPolarHBondContact O-CG1 3.48Å; I82-I86 PolarHBondContact O-N 3.35Å
83D85.9Confident85Confident38 Ų3887.6 Ų87.620%0.20343%0.427CS..Hα-helixtrans-61.2-41.6177.1-71.5-11.4000111.2K8 L79 E80 E81 Y85 I86 N87K8-D83 WeakPolarHBondContact CD-OD1 3.4Å; K8-D83 IonicContact NZ-OD1 3.43Å; K8-D83 PolarHBondContact NZ-OD1 2.99Å; K8-D83 IonicContact NZ-OD2 2.6Å; K8-D83 PolarHBondContact NZ-OD2 2.83Å; L79-D83 WeakPolarHBondContact O-CB 3.44Å; L79-D83 PolarHBondContact O-N 2.95Å; E80-D83 PolarHBondContact O-N 2.95Å; E81-D83 VanDerWaalsContact C-N 3.34Å; E81-D83 PolarHBondContact O-N 3.42Å; D83-Y85 PolarHBondContact O-N 2.83Å; D83-I86 PolarHBondContact O-N 3.13Å; D83-N87 WeakPolarHBondContact O-CB 3.44Å; D83-N87 PolarHBondContact O-N 3.31Å; D83-N87 PolarHBondContact O-ND2 2.88Å
84V90.2Very high85.9Confident80 Ų8083 Ų8349%0.48540%0.404SS..Hα-helixtrans-60-46.3173.4172.40000111E80 E81 I82 I86 N87 M88E80-V84 WeakPolarHBondContact O-CG2 3.49Å; E80-V84 PolarHBondContact O-N 3.08Å; E81-V84 PolarHBondContact O-N 3.46Å; I82-V84 VanDerWaalsContact C-N 3.31Å; I82-V84 PolarHBondContact O-N 2.71Å; V84-I86 PolarHBondContact O-N 3.26Å; V84-N87 PolarHBondContact O-N 3.49Å; V84-M88 HydrophobicContact CG1-CG 4.34Å; V84-M88 HydrophobicContact CG1-SD 3.91Å; V84-M88 WeakPolarHBondContact O-CB 3.44Å; V84-M88 VanDerWaalsContact O-CG 3.3Å; V84-M88 WeakPolarHBondContact O-CG 3.37Å; V84-M88 PolarHBondContact O-N 3.49Å
85Y92.7Very high87Confident135 Ų13576.8 Ų76.853%0.52938%0.381SS..Hα-helixtrans-65-38.7178.3-71.3-55.4000113.2E81 I82 D83 K89E81-Y85 HydrophobicContact CG-CD2 4.1Å; E81-Y85 HydrophobicContact CG-CE2 3.49Å; E81-Y85 VanDerWaalsContact CG-CE2 3.49Å; E81-Y85 WeakPolarHBondContact O-CD2 3.43Å; E81-Y85 PolarHBondContact O-N 3.11Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.24Å; E81-Y85 PolarHBondContact OE1-OH 2.93Å; I82-Y85 PolarHBondContact O-N 3.43Å; I82-Y85 VanDerWaalsContact O-N 3.17Å; D83-Y85 PolarHBondContact O-N 2.83Å; Y85-K89 VanDerWaalsContact O-CB 3.3Å; Y85-K89 WeakPolarHBondContact O-CB 3.49Å; Y85-K89 PolarHBondContact O-N 3.12Å
86I91Very high88.2Confident16 Ų1676.3 Ų76.38%0.08237%0.372CS..Hα-helixtrans-60.4-50.5174.9-69.8171.4000109.3I5 K8 E12 I82 D83 V84 M88 K89 Y90I5-I86 HydrophobicContact CG2-CD1 4.21Å; K8-I86 HydrophobicContact CB-CD1 4.47Å; E12-I86 HydrophobicContact CB-CG2 3.76Å; E12-I86 HydrophobicContact CG-CG2 3.61Å; I82-I86 HydrophobicContact CG2-CD1 3.81Å; I82-I86 HydrophobicContact CG2-CG1 4.24Å; I82-I86 VanDerWaalsContact O-CG1 3.3Å; I82-I86 WeakPolarHBondContact O-CG1 3.48Å; I82-I86 PolarHBondContact O-N 3.35Å; D83-I86 PolarHBondContact O-N 3.13Å; V84-I86 PolarHBondContact O-N 3.26Å; I86-M88 PolarHBondContact O-N 2.96Å; I86-K89 WeakPolarHBondContact O-CB 3.39Å; I86-K89 PolarHBondContact O-N 3.32Å; I86-Y90 HydrophobicContact CG2-CD2 3.78Å; I86-Y90 HydrophobicContact CG2-CE2 3.83Å; I86-Y90 WeakPolarHBondContact O-CD2 2.96Å; I86-Y90 PolarHBondContact O-N 2.89Å
87N90.2Very high89Confident69 Ų6977.3 Ų77.337%0.36938%0.375SS..Hα-helixtrans-60.7-46.2-179.9-69-17.6000111.5E12 D83 V84 K89 Y90 Y91E12-N87 WeakPolarHBondContact CG-OD1 3.07Å; E12-N87 PolarHBondContact OE1-OD1 3.16Å; E12-N87 PolarHBondContact OE2-OD1 3.38Å; D83-N87 WeakPolarHBondContact O-CB 3.44Å; D83-N87 PolarHBondContact O-N 3.31Å; D83-N87 PolarHBondContact O-ND2 2.88Å; V84-N87 PolarHBondContact O-N 3.49Å; N87-K89 PolarHBondContact O-N 3.34Å; N87-Y90 PolarHBondContact O-N 3.25Å; N87-Y91 VanDerWaalsContact O-CB 3.23Å; N87-Y91 WeakPolarHBondContact O-CB 3.38Å; N87-Y91 PolarHBondContact O-N 3.34Å
88M92.9Very high89.4Confident104 Ų10475.2 Ų75.251%0.51236%0.355SS..Hα-helixtrans-61-43.2177.1-74.1179.469.400112.3V84 I86 N92V84-M88 HydrophobicContact CG1-CG 4.34Å; V84-M88 HydrophobicContact CG1-SD 3.91Å; V84-M88 WeakPolarHBondContact O-CB 3.44Å; V84-M88 VanDerWaalsContact O-CG 3.3Å; V84-M88 WeakPolarHBondContact O-CG 3.37Å; V84-M88 PolarHBondContact O-N 3.49Å; I86-M88 PolarHBondContact O-N 2.96Å; M88-N92 WeakPolarHBondContact O-CB 3.45Å; M88-N92 PolarHBondContact O-N 2.93Å; M88-N92 PolarHBondContact O-ND2 3.38Å
89K94Very high90Very high110 Ų11077.3 Ų77.348%0.47836%0.36SS..Hα-helixtrans-58.2-50.7177.6175.3-169.1172.8-166.10110.8Y85 I86 N87 N92 I93Y85-K89 VanDerWaalsContact O-CB 3.3Å; Y85-K89 WeakPolarHBondContact O-CB 3.49Å; Y85-K89 PolarHBondContact O-N 3.12Å; I86-K89 WeakPolarHBondContact O-CB 3.39Å; I86-K89 PolarHBondContact O-N 3.32Å; N87-K89 PolarHBondContact O-N 3.34Å; K89-N92 PolarHBondContact O-N 3.48Å; K89-I93 HydrophobicContact CG-CD1 4.22Å; K89-I93 WeakPolarHBondContact O-CG1 3.31Å; K89-I93 PolarHBondContact O-N 3.48Å; K89-I93 VanDerWaalsContact O-N 3.08Å
90Y93.5Very high90.6Very high24 Ų2482.5 Ų82.59%0.09439%0.387CS..Hα-helixtrans-74.8-34.2-176.1-71.6-65.5000112.7S9 E12 V13 T16 I86 N87 N92 I93 Y94S9-Y90 PolarHBondContact OG-OH 2.99Å; E12-Y90 HydrophobicContact CB-CD2 3.58Å; E12-Y90 HydrophobicContact CB-CE2 4.15Å; E12-Y90 HydrophobicContact CB-CG 4.26Å; V13-Y90 HydrophobicContact CB-CE1 4.16Å; V13-Y90 HydrophobicContact CG2-CD1 4.17Å; V13-Y90 HydrophobicContact CG2-CE1 3.27Å; V13-Y90 HydrophobicContact CG2-CE2 4Å; V13-Y90 WeakPolarHBondContact CG2-OH 3.47Å; T16-Y90 WeakPolarHBondContact CG2-O 3.5Å; T16-Y90 VanDerWaalsContact OG1-CB 3.31Å; T16-Y90 WeakPolarHBondContact OG1-CB 3.46Å; I86-Y90 HydrophobicContact CG2-CD2 3.78Å; I86-Y90 HydrophobicContact CG2-CE2 3.83Å; I86-Y90 WeakPolarHBondContact O-CD2 2.96Å; I86-Y90 PolarHBondContact O-N 2.89Å; N87-Y90 PolarHBondContact O-N 3.25Å; Y90-N92 VanDerWaalsContact C-N 3.32Å; Y90-N92 PolarHBondContact O-N 3.42Å; Y90-I93 HydrophobicContact CD1-CD1 3.81Å; Y90-I93 HydrophobicContact CE1-CD1 3.99Å; Y90-I93 WeakPolarHBondContact O-CB 3.42Å; Y90-I93 PolarHBondContact O-N 3.08Å; Y90-Y94 PolarHBondContact O-N 3.15Å
91Y90.7Very high90.8Very high133 Ų13380.6 Ų80.652%0.52238%0.375SS..Hα-helixtrans-57.6-44.4168.6179.4-101.6000112.3N87 I93 Y94 Q95N87-Y91 VanDerWaalsContact O-CB 3.23Å; N87-Y91 WeakPolarHBondContact O-CB 3.38Å; N87-Y91 PolarHBondContact O-N 3.34Å; Y91-I93 PolarHBondContact O-N 3.27Å; Y91-Y94 HydrophobicContact CD2-CD1 4.43Å; Y91-Y94 HydrophobicContact CE2-CD1 4.47Å; Y91-Y94 WeakPolarHBondContact O-CB 3.39Å; Y91-Y94 PolarHBondContact O-N 3.44Å; Y91-Q95 HydrophobicContact CD1-CG 4.24Å; Y91-Q95 HydrophobicContact CE1-CG 3.83Å; Y91-Q95 HydrophobicContact CE2-CG 4.26Å; Y91-Q95 VanDerWaalsContact CZ-NE2 3.3Å; Y91-Q95 WeakPolarHBondContact O-CG 3.34Å; Y91-Q95 PolarHBondContact O-N 2.96Å; Y91-Q95 PolarHBondContact OH-NE2 3.45Å
92N92.6Very high90.9Very high80 Ų8079 Ų7943%0.42837%0.368SS..Hα-helixtrans-61.8-43.5175.6-73.1-24.2000111.5M88 K89 Y90 Y94 Q95 F96M88-N92 WeakPolarHBondContact O-CB 3.45Å; M88-N92 PolarHBondContact O-N 2.93Å; M88-N92 PolarHBondContact O-ND2 3.38Å; K89-N92 PolarHBondContact O-N 3.48Å; Y90-N92 VanDerWaalsContact C-N 3.32Å; Y90-N92 PolarHBondContact O-N 3.42Å; N92-Y94 VanDerWaalsContact C-N 3.35Å; N92-Y94 PolarHBondContact O-N 2.92Å; N92-Q95 PolarHBondContact O-N 3.48Å; N92-F96 HydrophobicContact CB-CE2 4.49Å; N92-F96 WeakPolarHBondContact O-CD2 3.09Å; N92-F96 PolarHBondContact O-N 3.4Å
93I91.7Very high91.2Very high65 Ų6582.9 Ų82.933%0.33339%0.385SS..Hα-helixtrans-58.9-45.9175.7-69.8166.2000111K89 Y90 Y91 Q95 F96 N97K89-I93 HydrophobicContact CG-CD1 4.22Å; K89-I93 WeakPolarHBondContact O-CG1 3.31Å; K89-I93 PolarHBondContact O-N 3.48Å; K89-I93 VanDerWaalsContact O-N 3.08Å; Y90-I93 HydrophobicContact CD1-CD1 3.81Å; Y90-I93 HydrophobicContact CE1-CD1 3.99Å; Y90-I93 WeakPolarHBondContact O-CB 3.42Å; Y90-I93 PolarHBondContact O-N 3.08Å; Y91-I93 PolarHBondContact O-N 3.27Å; I93-Q95 PolarHBondContact O-N 3.03Å; I93-F96 PolarHBondContact O-N 2.95Å; I93-N97 WeakPolarHBondContact O-CB 3.45Å; I93-N97 VanDerWaalsContact O-CG 3.27Å; I93-N97 PolarHBondContact O-N 2.91Å
94Y90.6Very high91.4Very high57 Ų5784.2 Ų84.222%0.22439%0.392CS..Hα-helixtrans-55.6-50.6174.6160.5-107.2000111.7S20 A23 Y90 Y91 N92 F96 N97 F98S20-Y94 WeakPolarHBondContact OG-CD2 3.31Å; A23-Y94 HydrophobicContact CB-CE2 3.96Å; Y90-Y94 PolarHBondContact O-N 3.15Å; Y91-Y94 HydrophobicContact CD2-CD1 4.43Å; Y91-Y94 HydrophobicContact CE2-CD1 4.47Å; Y91-Y94 WeakPolarHBondContact O-CB 3.39Å; Y91-Y94 PolarHBondContact O-N 3.44Å; N92-Y94 VanDerWaalsContact C-N 3.35Å; N92-Y94 PolarHBondContact O-N 2.92Å; Y94-F96 PolarHBondContact O-N 2.73Å; Y94-N97 PolarHBondContact O-N 3.33Å; Y94-F98 WeakPolarHBondContact O-CB 3.32Å; Y94-F98 PolarHBondContact O-N 3.46Å
95Q91.8Very high91.4Very high56 Ų5680.5 Ų80.526%0.26237%0.369SS..Hα-helixtrans-62.1-41.8-179.2-70.5-68.3-1000112.5Y91 N92 I93 K99Y91-Q95 HydrophobicContact CD1-CG 4.24Å; Y91-Q95 HydrophobicContact CE1-CG 3.83Å; Y91-Q95 HydrophobicContact CE2-CG 4.26Å; Y91-Q95 VanDerWaalsContact CZ-NE2 3.3Å; Y91-Q95 WeakPolarHBondContact O-CG 3.34Å; Y91-Q95 PolarHBondContact O-N 2.96Å; Y91-Q95 PolarHBondContact OH-NE2 3.45Å; N92-Q95 PolarHBondContact O-N 3.48Å; I93-Q95 PolarHBondContact O-N 3.03Å; Q95-K99 WeakPolarHBondContact O-CG 3.37Å; Q95-K99 PolarHBondContact O-N 3.44Å; Q95-K99 VanDerWaalsContact O-N 3.15Å
96F92.2Very high91.3Very high140 Ų14077.3 Ų77.361%0.61436%0.36SS*.Hα-helixtrans-64.8-47.9176.2-81.8-65.2000111.9N92 I93 Y94 F98 K99 L100N92-F96 HydrophobicContact CB-CE2 4.49Å; N92-F96 WeakPolarHBondContact O-CD2 3.09Å; N92-F96 PolarHBondContact O-N 3.4Å; I93-F96 PolarHBondContact O-N 2.95Å; Y94-F96 PolarHBondContact O-N 2.73Å; F96-F98 PolarHBondContact O-N 3.02Å; F96-K99 PolarHBondContact O-N 2.86Å; F96-L100 WeakPolarHBondContact O-CG 3.31Å; F96-L100 PolarHBondContact O-N 3.39Å
97N89.8Confident91.3Very high58 Ų5878.3 Ų78.331%0.3137%0.369SS..Hα-helixtrans-60.9-46.7179-73.1-12.7000111I93 Y94 K99 L100 Y101I93-N97 WeakPolarHBondContact O-CB 3.45Å; I93-N97 VanDerWaalsContact O-CG 3.27Å; I93-N97 PolarHBondContact O-N 2.91Å; Y94-N97 PolarHBondContact O-N 3.33Å; N97-K99 PolarHBondContact O-N 3.48Å; N97-L100 PolarHBondContact O-N 3.26Å; N97-Y101 HydrophobicContact CB-CD2 4.37Å; N97-Y101 HydrophobicContact CB-CE2 4.11Å; N97-Y101 WeakPolarHBondContact O-CD2 3.47Å; N97-Y101 PolarHBondContact O-N 3.01Å
98F89.6Confident91.2Very high41 Ų4180.7 Ų80.718%0.1837%0.373CS..Hα-helixtrans-57.6-48.1179.1-173.4-90.1000111.8A23 H27 Y94 F96 L100 Y101 E102A23-F98 HydrophobicContact CB-CD2 4.08Å; A23-F98 HydrophobicContact CB-CE2 4.06Å; H27-F98 HydrophobicContact CB-CE2 4.24Å; H27-F98 HydrophobicContact CB-CZ 4.23Å; Y94-F98 WeakPolarHBondContact O-CB 3.32Å; Y94-F98 PolarHBondContact O-N 3.46Å; F96-F98 PolarHBondContact O-N 3.02Å; F98-L100 PolarHBondContact O-N 2.93Å; F98-Y101 PolarHBondContact O-N 3.47Å; F98-E102 WeakPolarHBondContact O-CB 3.34Å; F98-E102 PolarHBondContact O-N 2.96Å
99K92.2Very high91Very high130 Ų13076 Ų7657%0.56535%0.35SS*.Hα-helixtrans-63.2-38.6178.3-73.1178.2-179.7-177.10113.3Q95 F96 N97 Y101 H103Q95-K99 WeakPolarHBondContact O-CG 3.37Å; Q95-K99 PolarHBondContact O-N 3.44Å; Q95-K99 VanDerWaalsContact O-N 3.15Å; F96-K99 PolarHBondContact O-N 2.86Å; N97-K99 PolarHBondContact O-N 3.48Å; K99-Y101 VanDerWaalsContact C-N 3.34Å; K99-H103 VanDerWaalsContact O-CB 3.31Å; K99-H103 WeakPolarHBondContact O-CB 3.44Å; K99-H103 PolarHBondContact O-N 3.11Å
100L91.7Very high90.8Very high120 Ų12074.1 Ų74.163%0.62834%0.344SS*.Hα-helixtrans-63.7-43.4176.2-74.9171.4000111.2F96 N97 F98 H103 D104F96-L100 WeakPolarHBondContact O-CG 3.31Å; F96-L100 PolarHBondContact O-N 3.39Å; N97-L100 PolarHBondContact O-N 3.26Å; F98-L100 PolarHBondContact O-N 2.93Å; L100-H103 PolarHBondContact O-N 3.34Å; L100-D104 PolarHBondContact O-N 2.97Å
101Y89.2Confident90.6Very high87 Ų8776.9 Ų76.934%0.34136%0.361SS..Hα-helixtrans-69-42.1178.3-73.3-53.9000113.1F24 N97 F98 K99 H103 D104 L105F24-Y101 VanDerWaalsContact CD2-CB 3.4Å; F24-Y101 HydrophobicContact CD2-CD1 4.43Å; F24-Y101 HydrophobicContact CD2-CD2 4.27Å; F24-Y101 AromaticContact CD2-CG 3.83Å; F24-Y101 HydrophobicContact CD2-CG 3.83Å; F24-Y101 HydrophobicContact CE2-CD1 4.26Å; F24-Y101 HydrophobicContact CE2-CG 4.03Å; N97-Y101 HydrophobicContact CB-CD2 4.37Å; N97-Y101 HydrophobicContact CB-CE2 4.11Å; N97-Y101 WeakPolarHBondContact O-CD2 3.47Å; N97-Y101 PolarHBondContact O-N 3.01Å; F98-Y101 PolarHBondContact O-N 3.47Å; K99-Y101 VanDerWaalsContact C-N 3.34Å; Y101-H103 VanDerWaalsContact C-N 3.31Å; Y101-H103 PolarHBondContact O-N 3.15Å; Y101-D104 PolarHBondContact O-N 2.97Å; Y101-L105 VanDerWaalsContact O-CB 3.32Å; Y101-L105 WeakPolarHBondContact O-CB 3.38Å; Y101-L105 PolarHBondContact O-N 3.23Å
102E90.1Very high90.4Very high68 Ų6873.8 Ų73.832%0.31835%0.352SS..Hα-helixtrans-57.6-46.1173177.2177.8-12800110.6H27 F98 L105 I106H27-E102 IonicContact CE1-OE1 3.27Å; F98-E102 WeakPolarHBondContact O-CB 3.34Å; F98-E102 PolarHBondContact O-N 2.96Å; E102-L105 PolarHBondContact O-N 3.11Å; E102-I106 HydrophobicContact CG-CD1 3.77Å; E102-I106 WeakPolarHBondContact O-CB 3.31Å; E102-I106 VanDerWaalsContact O-CG1 3.31Å; E102-I106 WeakPolarHBondContact O-CG1 3.47Å; E102-I106 PolarHBondContact O-N 2.98Å
103H93Very high90.1Very high130 Ų13073.5 Ų73.560%0.60235%0.35SS*.Hα-helixtrans-60.8-46.4176.3177.9-77.2000112.6K99 L100 Y101 L105 S107K99-H103 VanDerWaalsContact O-CB 3.31Å; K99-H103 WeakPolarHBondContact O-CB 3.44Å; K99-H103 PolarHBondContact O-N 3.11Å; L100-H103 PolarHBondContact O-N 3.34Å; Y101-H103 VanDerWaalsContact C-N 3.31Å; Y101-H103 PolarHBondContact O-N 3.15Å; H103-L105 VanDerWaalsContact C-N 3.34Å; H103-S107 PolarHBondContact CE1-OG 3.43Å; H103-S107 VanDerWaalsContact O-CB 3.31Å; H103-S107 WeakPolarHBondContact O-CB 3.32Å; H103-S107 PolarHBondContact O-N 3.09Å; H103-S107 PolarHBondContact O-OG 2.82Å
104D90.2Very high89.9Confident65 Ų6577.6 Ų77.635%0.34836%0.361SS..Hα-helixtrans-60.5-44.3176.4178.656000111.4L100 Y101 S107 R108L100-D104 PolarHBondContact O-N 2.97Å; Y101-D104 PolarHBondContact O-N 2.97Å; D104-S107 PolarHBondContact O-N 3.41Å; D104-R108 VanDerWaalsContact CG-NE 3.35Å; D104-R108 WeakPolarHBondContact O-CG 3.31Å; D104-R108 PolarHBondContact O-N 3.32Å; D104-R108 IonicContact OD1-CZ 4Å; D104-R108 IonicContact OD1-NE 3.9Å; D104-R108 PolarHBondContact OD1-NE 3.36Å; D104-R108 VanDerWaalsContact OD1-NE 3.11Å; D104-R108 IonicContact OD1-NH2 3.95Å; D104-R108 PolarHBondContact OD1-NH2 2.94Å; D104-R108 IonicContact OD2-CZ 2.69Å; D104-R108 VanDerWaalsContact OD2-CZ 3.22Å; D104-R108 IonicContact OD2-NE 2.7Å; D104-R108 PolarHBondContact OD2-NE 2.96Å; D104-R108 IonicContact OD2-NH2 2.71Å; D104-R108 PolarHBondContact OD2-NH2 3.32Å
105L89.6Confident89.6Confident2 Ų279.8 Ų79.81%0.0138%0.377CS..Hα-helixtrans-60.9-51.6179.1-179.756.2000112V28 M31 L40 F42 Y101 E102 H103 S107 R108 I109V28-L105 HydrophobicContact CG2-CD2 4.07Å; M31-L105 HydrophobicContact CB-CD2 4.05Å; M31-L105 HydrophobicContact CG-CD2 3.6Å; M31-L105 HydrophobicContact CG-CG 4.31Å; L40-L105 HydrophobicContact CD1-CD1 3.61Å; F42-L105 HydrophobicContact CE1-CD1 4.07Å; F42-L105 HydrophobicContact CE2-CD1 4.37Å; F42-L105 HydrophobicContact CZ-CD1 3.41Å; F42-L105 VanDerWaalsContact CZ-CD1 3.41Å; Y101-L105 VanDerWaalsContact O-CB 3.32Å; Y101-L105 WeakPolarHBondContact O-CB 3.38Å; Y101-L105 PolarHBondContact O-N 3.23Å; E102-L105 PolarHBondContact O-N 3.11Å; H103-L105 VanDerWaalsContact C-N 3.34Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 3.27Å; L105-R108 PolarHBondContact O-N 3.05Å; L105-I109 HydrophobicContact CD1-CD1 4.27Å; L105-I109 HydrophobicContact CG-CD1 4.24Å; L105-I109 WeakPolarHBondContact O-CG1 3.34Å; L105-I109 PolarHBondContact O-N 2.74Å; L105-I109 VanDerWaalsContact O-N 3.09Å
106I89.7Confident88.8Confident68 Ų6881.4 Ų81.435%0.34939%0.387SS..Hα-helixtrans-62.5-39.8179-68.4169.8000110.7M31 E102 R108 I109 I110M31-I106 HydrophobicContact CE-CG1 4.24Å; E102-I106 HydrophobicContact CG-CD1 3.77Å; E102-I106 WeakPolarHBondContact O-CB 3.31Å; E102-I106 VanDerWaalsContact O-CG1 3.31Å; E102-I106 WeakPolarHBondContact O-CG1 3.47Å; E102-I106 PolarHBondContact O-N 2.98Å; I106-R108 PolarHBondContact O-N 3.48Å; I106-I109 WeakPolarHBondContact O-CB 3.33Å; I106-I109 PolarHBondContact O-N 3.43Å; I106-I110 HydrophobicContact CG2-CD1 3.79Å; I106-I110 HydrophobicContact CG2-CG1 4.35Å; I106-I110 WeakPolarHBondContact O-CG1 3.44Å; I106-I110 PolarHBondContact O-N 3.27Å
107S92Very high87.7Confident38 Ų3877.9 Ų77.927%0.26638%0.38SS..Hα-helixtrans-61-46.2178.1-61.30000111.7H103 D104 L105 I109 I110 D111H103-S107 PolarHBondContact CE1-OG 3.43Å; H103-S107 VanDerWaalsContact O-CB 3.31Å; H103-S107 WeakPolarHBondContact O-CB 3.32Å; H103-S107 PolarHBondContact O-N 3.09Å; H103-S107 PolarHBondContact O-OG 2.82Å; D104-S107 PolarHBondContact O-N 3.41Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 3.27Å; S107-I109 VanDerWaalsContact C-N 3.32Å; S107-I109 PolarHBondContact O-N 2.9Å; S107-I110 PolarHBondContact O-N 2.97Å; S107-D111 PolarHBondContact O-N 3.43Å
108R89.2Confident86.2Confident118 Ų11881.4 Ų81.445%0.44540%0.399SS..Hα-helixtrans-61.7-39.5176.5-68170.8-171.2-137.610.8112.4L40 D104 L105 I106 D111 M112L40-R108 HydrophobicContact CD2-CB 3.93Å; D104-R108 VanDerWaalsContact CG-NE 3.35Å; D104-R108 WeakPolarHBondContact O-CG 3.31Å; D104-R108 PolarHBondContact O-N 3.32Å; D104-R108 IonicContact OD1-CZ 4Å; D104-R108 IonicContact OD1-NE 3.9Å; D104-R108 PolarHBondContact OD1-NE 3.36Å; D104-R108 VanDerWaalsContact OD1-NE 3.11Å; D104-R108 IonicContact OD1-NH2 3.95Å; D104-R108 PolarHBondContact OD1-NH2 2.94Å; D104-R108 IonicContact OD2-CZ 2.69Å; D104-R108 VanDerWaalsContact OD2-CZ 3.22Å; D104-R108 IonicContact OD2-NE 2.7Å; D104-R108 PolarHBondContact OD2-NE 2.96Å; D104-R108 IonicContact OD2-NH2 2.71Å; D104-R108 PolarHBondContact OD2-NH2 3.32Å; L105-R108 PolarHBondContact O-N 3.05Å; I106-R108 PolarHBondContact O-N 3.48Å; R108-D111 PolarHBondContact O-N 3.43Å; R108-M112 WeakPolarHBondContact O-CB 3.44Å; R108-M112 WeakPolarHBondContact O-CG 3.34Å; R108-M112 PolarHBondContact O-N 3.47Å
109I88.1Confident84.6Confident6 Ų684.8 Ų84.83%0.03142%0.419CS..Hα-helixtrans-60.9-49.6174.8-75.1173000110.6M31 Y35 I38 L40 L105 I106 S107 D111 M112 L113M31-I109 HydrophobicContact CB-CD1 4.24Å; M31-I109 HydrophobicContact CE-CD1 3.29Å; Y35-I109 HydrophobicContact CD2-CD1 4.09Å; Y35-I109 HydrophobicContact CD2-CG2 4.36Å; Y35-I109 HydrophobicContact CE2-CD1 4.44Å; Y35-I109 HydrophobicContact CE2-CG2 4.41Å; Y35-I109 HydrophobicContact CG-CG2 4.49Å; I38-I109 HydrophobicContact CD1-CB 4.24Å; I38-I109 HydrophobicContact CD1-CG1 4.3Å; I38-I109 HydrophobicContact CD1-CG2 3.61Å; I38-I109 HydrophobicContact CG2-CG1 4.44Å; L40-I109 HydrophobicContact CD1-CD1 4.08Å; L40-I109 HydrophobicContact CD1-CG1 3.67Å; L105-I109 HydrophobicContact CD1-CD1 4.27Å; L105-I109 HydrophobicContact CG-CD1 4.24Å; L105-I109 WeakPolarHBondContact O-CG1 3.34Å; L105-I109 PolarHBondContact O-N 2.74Å; L105-I109 VanDerWaalsContact O-N 3.09Å; I106-I109 WeakPolarHBondContact O-CB 3.33Å; I106-I109 PolarHBondContact O-N 3.43Å; S107-I109 VanDerWaalsContact C-N 3.32Å; S107-I109 PolarHBondContact O-N 2.9Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-D111 PolarHBondContact O-N 3.33Å; I109-M112 PolarHBondContact O-N 2.95Å; I109-L113 HydrophobicContact CG2-CD1 4.04Å; I109-L113 WeakPolarHBondContact O-CG 3.34Å; I109-L113 PolarHBondContact O-N 3.24Å
110I89.4Confident82.4Confident70 Ų7083.1 Ų83.136%0.35942%0.416SS..Hα-helixtrans-60.1-44.1178.8-70.9169.5000110.9I106 S107 L113 R114I106-I110 HydrophobicContact CG2-CD1 3.79Å; I106-I110 HydrophobicContact CG2-CG1 4.35Å; I106-I110 WeakPolarHBondContact O-CG1 3.44Å; I106-I110 PolarHBondContact O-N 3.27Å; S107-I110 PolarHBondContact O-N 2.97Å; I110-L113 PolarHBondContact O-N 2.92Å; I110-R114 WeakPolarHBondContact O-CG 3.33Å; I110-R114 PolarHBondContact O-N 3Å
111D89.5Confident80.2Confident83 Ų8388 Ų8844%0.44443%0.426SS..Hα-helixtrans-64.9-40.8179.1-72.9-19.2000111.8S107 R108 I109 R114 N115S107-D111 PolarHBondContact O-N 3.43Å; R108-D111 PolarHBondContact O-N 3.43Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-D111 PolarHBondContact O-N 3.33Å; D111-R114 PolarHBondContact O-N 3.43Å; D111-N115 WeakPolarHBondContact O-CB 3.42Å; D111-N115 PolarHBondContact O-N 3.09Å; D111-N115 PolarHBondContact O-ND2 2.96Å
112M87Confident78Confident68 Ų6892.8 Ų92.834%0.33545%0.445SS..Hα-helixtrans-64-42.4174.3-76.8-177.8153.100112.3I38 L40 R108 I109 R114 N115 N116I38-M112 HydrophobicContact CG2-CB 4.06Å; I38-M112 HydrophobicContact CG2-CG 4.36Å; I38-M112 HydrophobicContact CG2-SD 3.34Å; I38-M112 WeakPolarHBondContact CG2-SD 3.44Å; L40-M112 HydrophobicContact CD2-CE 4.02Å; L40-M112 HydrophobicContact CD2-SD 3.47Å; L40-M112 WeakPolarHBondContact CD2-SD 3.48Å; L40-M112 HydrophobicContact CG-SD 4.1Å; R108-M112 WeakPolarHBondContact O-CB 3.44Å; R108-M112 WeakPolarHBondContact O-CG 3.34Å; R108-M112 PolarHBondContact O-N 3.47Å; I109-M112 PolarHBondContact O-N 2.95Å; M112-R114 PolarHBondContact O-N 3.31Å; M112-N115 PolarHBondContact O-N 3.21Å; M112-N116 WeakPolarHBondContact O-CB 3.33Å; M112-N116 VanDerWaalsContact O-CG 3.27Å; M112-N116 PolarHBondContact O-N 3.16Å
113L86.1Confident75.7Confident74 Ų7499.2 Ų99.239%0.38747%0.467SS..Hα-helixtrans-62.2-43176.2-72.7173.1000111.8I38 I109 I110 N116 S117I38-L113 HydrophobicContact CD1-CD1 4.2Å; I38-L113 HydrophobicContact CD1-CD2 3.81Å; I38-L113 HydrophobicContact CD1-CG 3.74Å; I38-L113 HydrophobicContact CG1-CD2 4.28Å; I109-L113 HydrophobicContact CG2-CD1 4.04Å; I109-L113 WeakPolarHBondContact O-CG 3.34Å; I109-L113 PolarHBondContact O-N 3.24Å; I110-L113 PolarHBondContact O-N 2.92Å; L113-N116 PolarHBondContact O-N 2.79Å; L113-S117 PolarHBondContact O-N 3.41Å; L113-S117 PolarHBondContact O-OG 3.18Å
114R87.9Confident73.6Confident150 Ų15096 Ų9657%0.56646%0.455SS*.Hα-helixtrans-63.4-41.8176.2-75.3173.2173.8171.8-1.3112.5I110 D111 M112 S117 N118I110-R114 WeakPolarHBondContact O-CG 3.33Å; I110-R114 PolarHBondContact O-N 3Å; D111-R114 PolarHBondContact O-N 3.43Å; M112-R114 PolarHBondContact O-N 3.31Å; R114-S117 WeakPolarHBondContact CA-OG 3.45Å; R114-S117 PolarHBondContact O-N 2.94Å; R114-S117 PolarHBondContact O-OG 3.34Å; R114-N118 VanDerWaalsContact O-CG 3.23Å; R114-N118 PolarHBondContact O-N 3.43Å; R114-N118 VanDerWaalsContact O-N 3.16Å; R114-N118 PolarHBondContact O-ND2 2.95Å; R114-N118 VanDerWaalsContact O-ND2 3.16Å
115N83.1Confident71.6Confident104 Ų10497 Ų9756%0.55647%0.465SS*.Hα-helixtrans-68.2-39.2179-70.5-25.5000111.6D111 M112 N118 D119D111-N115 WeakPolarHBondContact O-CB 3.42Å; D111-N115 PolarHBondContact O-N 3.09Å; D111-N115 PolarHBondContact O-ND2 2.96Å; M112-N115 PolarHBondContact O-N 3.21Å; N115-N118 PolarHBondContact O-N 3.3Å; N115-D119 PolarHBondContact O-N 3.35Å; N115-D119 VanDerWaalsContact O-N 3.09Å
116N75.8Confident69.9Low90 Ų90106.9 Ų106.948%0.48150%0.504SS..Hα-helixtrans-65.7-38.8174.9-71.4-11.1000112M112 L113 N118 D119M112-N116 WeakPolarHBondContact O-CB 3.33Å; M112-N116 VanDerWaalsContact O-CG 3.27Å; M112-N116 PolarHBondContact O-N 3.16Å; L113-N116 PolarHBondContact O-N 2.79Å; N116-N118 PolarHBondContact O-N 3.16Å; N116-D119 PolarHBondContact O-N 3.5Å
117S68.1Low67.7Low65 Ų65115.3 Ų115.346%0.45554%0.538SS..Hα-helixtrans-68.3-21.217559.50000113.9L113 R114L113-S117 PolarHBondContact O-N 3.41Å; L113-S117 PolarHBondContact O-OG 3.18Å; R114-S117 WeakPolarHBondContact CA-OG 3.45Å; R114-S117 PolarHBondContact O-N 2.94Å; R114-S117 PolarHBondContact O-OG 3.34Å
118N59.8Low66.4Low132 Ų132119.2 Ų119.271%0.70655%0.551SS**Hα-helixtrans-91.7-15.1177.5-69.1-25.1000112.8R114 N115 N116 D120R114-N118 VanDerWaalsContact O-CG 3.23Å; R114-N118 PolarHBondContact O-N 3.43Å; R114-N118 VanDerWaalsContact O-N 3.16Å; R114-N118 PolarHBondContact O-ND2 2.95Å; R114-N118 VanDerWaalsContact O-ND2 3.16Å; N115-N118 PolarHBondContact O-N 3.3Å; N116-N118 PolarHBondContact O-N 3.16Å; N118-D120 VanDerWaalsContact C-N 3.28Å
119D54.9Low65.2Low113 Ų113119.3 Ų119.360%0.60456%0.557SS**  trans-94.318.7172.8-158.710.5000112.2N115 N116 R121N115-D119 PolarHBondContact O-N 3.35Å; N115-D119 VanDerWaalsContact O-N 3.09Å; N116-D119 PolarHBondContact O-N 3.5Å; D119-R121 PolarHBondContact O-N 2.86Å
120D47.2Very low64Low94 Ų94125.6 Ų125.650%0.50359%0.586SS.*  trans-68.486.9157.5-74-31.2000108.1N118 Y122N118-D120 VanDerWaalsContact C-N 3.28Å; D120-Y122 HydrophobicContact CB-CD2 3.57Å; D120-Y122 HydrophobicContact CB-CE2 4.41Å; D120-Y122 HydrophobicContact CB-CG 4.3Å; D120-Y122 PolarHBondContact O-N 2.92Å
121R43.8Very low62.5Low224 Ų224128.8 Ų128.885%0.84560%0.6SS**  -52.878.3128.6-86.5-179.5-83.5179.5-6.4106.6D119 Y123D119-R121 PolarHBondContact O-N 2.86Å; R121-Y123 VanDerWaalsContact C-N 3.33Å; R121-Y123 PolarHBondContact O-N 2.84Å
122Y44.4Very low60.8Low186 Ų186131.7 Ų131.773%0.72961%0.609SS**  trans-62.9101.2-180-140-82.2000105.2D120 D124D120-Y122 HydrophobicContact CB-CD2 3.57Å; D120-Y122 HydrophobicContact CB-CE2 4.41Å; D120-Y122 HydrophobicContact CB-CG 4.3Å; D120-Y122 PolarHBondContact O-N 2.92Å; Y122-D124 PolarHBondContact O-N 2.73Å
123Y41.3Very low59.1Low203 Ų203135.9 Ų135.980%0.79663%0.628SS**  trans-60.597.4161-163.8-85.6000104.9R121 P125R121-Y123 VanDerWaalsContact C-N 3.33Å; R121-Y123 PolarHBondContact O-N 2.84Å; Y123-P125 WeakPolarHBondContact O-CD 3.21Å
124D48.4Very low57.1Low63 Ų63140.4 Ų140.434%0.33765%0.645SS.*  trans-71.5109.9166.3-172.5-12.2000106Y122 Y126 K127Y122-D124 PolarHBondContact O-N 2.73Å; D124-Y126 PolarHBondContact O-N 2.77Å; D124-Y126 VanDerWaalsContact O-N 3.13Å; D124-Y126 VanDerWaalsContact OD1-C 3.29Å; D124-Y126 WeakPolarHBondContact OD1-CA 3.18Å; D124-Y126 VanDerWaalsContact OD1-CB 3.31Å; D124-Y126 WeakPolarHBondContact OD1-CB 3.31Å; D124-Y126 PolarHBondContact OD1-N 3.26Å; D124-K127 HydrophobicContact CB-CB 3.91Å; D124-K127 VanDerWaalsContact CG-N 3.29Å; D124-K127 PolarHBondContact OD1-N 3.13Å; D124-K127 VanDerWaalsContact OD2-CB 3.25Å; D124-K127 WeakPolarHBondContact OD2-CB 3.29Å; D124-K127 VanDerWaalsContact OD2-CD 3.29Å; D124-K127 WeakPolarHBondContact OD2-CD 3.25Å; D124-K127 WeakPolarHBondContact OD2-CG 3.11Å
125P48.9Very low54.8Low86 Ų86139.6 Ų139.656%0.55865%0.651SS**THydrogen-bonded Turntrans-71.31.11748.96.3000111.9Y123Y123-P125 WeakPolarHBondContact O-CD 3.21Å
126Y54.3Low52.4Low210 Ų210142.6 Ų142.682%0.82466%0.659SS**THydrogen-bonded Turntrans-131.414.5-171.7-56.2-74.3000114.4D124D124-Y126 PolarHBondContact O-N 2.77Å; D124-Y126 VanDerWaalsContact O-N 3.13Å; D124-Y126 VanDerWaalsContact OD1-C 3.29Å; D124-Y126 WeakPolarHBondContact OD1-CA 3.18Å; D124-Y126 VanDerWaalsContact OD1-CB 3.31Å; D124-Y126 WeakPolarHBondContact OD1-CB 3.31Å; D124-Y126 PolarHBondContact OD1-N 3.26Å
127K41.8Very low50.3Low245 Ų245147.4 Ų147.4100%1.06568%0.675SS**  trans-113.60165.7-100.3178.9-177.2174.20112.9D124D124-K127 HydrophobicContact CB-CB 3.91Å; D124-K127 VanDerWaalsContact CG-N 3.29Å; D124-K127 PolarHBondContact OD1-N 3.13Å; D124-K127 VanDerWaalsContact OD2-CB 3.25Å; D124-K127 WeakPolarHBondContact OD2-CB 3.29Å; D124-K127 VanDerWaalsContact OD2-CD 3.29Å; D124-K127 WeakPolarHBondContact OD2-CD 3.25Å; D124-K127 WeakPolarHBondContact OD2-CG 3.11Å

Retrieved 127 of 127 residues in 87.1 ms (Link to these results)

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