A0A061HTR1_CRIGR Loading...

Gamma-secretase subunit PEN-2

AlphaFold DB , UniProt , Accession A0A061HTR1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Psenen, Length 101 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
1M58.9Low82.5Confident171 Ų17198.7 Ų98.784%0.84247%0.473SS*.  0124.20-167.3173.7177.100107.4L3 V6 W36M1-L3 PolarHBondContact O-N 3.48Å; M1-V6 HydrophobicContact CE-CG2 3.87Å; M1-W36 HydrophobicContact CB-CH2 4.47Å; M1-W36 HydrophobicContact CB-CZ2 4.19Å
2N76.1Confident83.4Confident102 Ų10292.2 Ų92.255%0.54544%0.442SS..  trans-78.9113.1-178.5-72.9-38.5000109.4E4 R5N2-E4 PolarHBondContact O-N 3.41Å; N2-R5 HydrophobicContact CB-CG 4.32Å; N2-R5 PolarHBondContact O-N 2.81Å; N2-R5 VanDerWaalsContact O-N 3.17Å
3L75.8Confident84.3Confident21 Ų2191.2 Ų91.211%0.1144%0.441CS..G310 helixtrans-59.1-29.4179.7-80.3165.8000112.5M1 R5 V6 K11 W36 F37 E40M1-L3 PolarHBondContact O-N 3.48Å; L3-R5 PolarHBondContact O-N 3.04Å; L3-V6 PolarHBondContact O-N 3Å; L3-V6 VanDerWaalsContact O-N 3.16Å; L3-K11 HydrophobicContact CD2-CG 4.2Å; L3-K11 WeakPolarHBondContact O-CE 2.99Å; L3-W36 HydrophobicContact CD1-CD2 4.17Å; L3-W36 HydrophobicContact CD1-CG 3.92Å; L3-W36 VanDerWaalsContact CD1-NE1 3.27Å; L3-W36 WeakPolarHBondContact CD1-O 3.38Å; L3-W36 HydrophobicContact CD2-CD2 4.45Å; L3-W36 HydrophobicContact CD2-CZ2 4.06Å; L3-W36 HydrophobicContact CG-CD2 4.44Å; L3-W36 HydrophobicContact CG-CZ2 4.02Å; L3-F37 HydrophobicContact CD2-CE1 3.9Å; L3-F37 HydrophobicContact CD2-CZ 4.27Å; L3-E40 HydrophobicContact CD1-CG 4.44Å
4E76.2Confident85Confident166 Ų16687.4 Ų87.478%0.77642%0.423SS*.G310 helixtrans-64.2-20.7179.8-63.1178.3173.800113.7N2N2-E4 PolarHBondContact O-N 3.41Å
5R83Confident85.6Confident218 Ų21881.5 Ų81.582%0.82340%0.395SS*.G310 helixtrans-94.40.3179.9-62.6-174.9179.1177.8-2.5113.5N2 L3N2-R5 HydrophobicContact CB-CG 4.32Å; N2-R5 PolarHBondContact O-N 2.81Å; N2-R5 VanDerWaalsContact O-N 3.17Å; L3-R5 PolarHBondContact O-N 3.04Å
6V87.2Confident86.3Confident18 Ų1883 Ų8311%0.10940%0.395CS..SBendtrans-105.7139-172.5-177.50000108.9M1 L3 E10 K11M1-V6 HydrophobicContact CE-CG2 3.87Å; L3-V6 PolarHBondContact O-N 3Å; L3-V6 VanDerWaalsContact O-N 3.16Å; V6-E10 HydrophobicContact CG1-CB 3.32Å; V6-E10 HydrophobicContact CG1-CG 4.37Å; V6-E10 WeakPolarHBondContact CG1-OE2 3.34Å; V6-K11 HydrophobicContact CB-CG 4.3Å; V6-K11 HydrophobicContact CG1-CG 4.11Å; V6-K11 WeakPolarHBondContact O-CE 3.36Å
7S88.6Confident86.8Confident59 Ų5985.6 Ų85.641%0.41340%0.404SS..  trans-64154.9176.663.90000111.3E9 E10 K11S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 3.2Å; S7-E10 PolarHBondContact N-OE2 2.9Å; S7-E10 VanDerWaalsContact N-OE2 3.14Å; S7-E10 PolarHBondContact O-N 3.32Å; S7-E10 WeakPolarHBondContact OG-CB 3.46Å; S7-E10 VanDerWaalsContact OG-CD 3.25Å; S7-E10 WeakPolarHBondContact OG-CG 3.29Å; S7-E10 PolarHBondContact OG-N 3.39Å; S7-E10 PolarHBondContact OG-OE2 3.08Å; S7-K11 WeakPolarHBondContact O-CG 3.2Å; S7-K11 PolarHBondContact O-N 3.31Å
8N88.9Confident87.3Confident61 Ų6184.4 Ų84.433%0.32640%0.396SS..Hα-helixtrans-60.6-39.6-179.1-64.7-25.5000111.4E10 K11 L12 Y47 E49N8-E10 VanDerWaalsContact C-N 3.34Å; N8-E10 PolarHBondContact O-N 3.23Å; N8-K11 WeakPolarHBondContact O-CB 3.33Å; N8-K11 PolarHBondContact O-N 3.14Å; N8-K11 VanDerWaalsContact O-N 3.11Å; N8-L12 PolarHBondContact O-N 3.42Å; N8-Y47 HydrophobicContact CB-CD2 4.11Å; N8-Y47 HydrophobicContact CB-CE2 4.33Å; N8-E49 WeakPolarHBondContact CA-OE2 3.18Å; N8-E49 WeakPolarHBondContact CB-OE2 3.5Å
9E90.3Very high87.7Confident144 Ų14482.1 Ų82.167%0.67338%0.384SS*.Hα-helixtrans-62.8-40.3178-67.9-164.7170.900112.4S7 L12 N13 E49S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 3.2Å; E9-L12 PolarHBondContact O-N 2.94Å; E9-N13 WeakPolarHBondContact O-CB 3.42Å; E9-N13 PolarHBondContact O-N 3.04Å; E9-E49 PolarHBondContact N-OE2 3.09Å
10E91.4Very high88.2Confident112 Ų11283.4 Ų83.452%0.52339%0.392SS..Hα-helixtrans-66.5-38.3174.8-76.8170.7143.800111.6V6 S7 N8 L12 N13 L14V6-E10 HydrophobicContact CG1-CB 3.32Å; V6-E10 HydrophobicContact CG1-CG 4.37Å; V6-E10 WeakPolarHBondContact CG1-OE2 3.34Å; S7-E10 PolarHBondContact N-OE2 2.9Å; S7-E10 VanDerWaalsContact N-OE2 3.14Å; S7-E10 PolarHBondContact O-N 3.32Å; S7-E10 WeakPolarHBondContact OG-CB 3.46Å; S7-E10 VanDerWaalsContact OG-CD 3.25Å; S7-E10 WeakPolarHBondContact OG-CG 3.29Å; S7-E10 PolarHBondContact OG-N 3.39Å; S7-E10 PolarHBondContact OG-OE2 3.08Å; N8-E10 VanDerWaalsContact C-N 3.34Å; N8-E10 PolarHBondContact O-N 3.23Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.49Å; E10-N13 PolarHBondContact O-N 3.38Å; E10-L14 WeakPolarHBondContact O-CB 3.43Å; E10-L14 PolarHBondContact O-N 2.93Å
11K91.2Very high88.5Confident14 Ų1480.5 Ų80.56%0.06139%0.385CS..Hα-helixtrans-59.2-45.4172.7-68.8178.5-173-179.60110.9L3 V6 S7 N8 L14 C15 F37 E40 I53L3-K11 HydrophobicContact CD2-CG 4.2Å; L3-K11 WeakPolarHBondContact O-CE 2.99Å; V6-K11 HydrophobicContact CB-CG 4.3Å; V6-K11 HydrophobicContact CG1-CG 4.11Å; V6-K11 WeakPolarHBondContact O-CE 3.36Å; S7-K11 WeakPolarHBondContact O-CG 3.2Å; S7-K11 PolarHBondContact O-N 3.31Å; N8-K11 WeakPolarHBondContact O-CB 3.33Å; N8-K11 PolarHBondContact O-N 3.14Å; N8-K11 VanDerWaalsContact O-N 3.11Å; K11-L14 PolarHBondContact O-N 3.35Å; K11-C15 WeakPolarHBondContact O-CB 3.44Å; K11-C15 PolarHBondContact O-N 2.92Å; K11-F37 HydrophobicContact CB-CE1 4.01Å; K11-F37 VanDerWaalsContact O-CE1 3.31Å; K11-F37 WeakPolarHBondContact O-CE1 3.39Å; K11-E40 HydrophobicContact CD-CG 4.43Å; K11-E40 IonicContact NZ-OE1 2.78Å; K11-E40 PolarHBondContact NZ-OE1 3.45Å; K11-E40 IonicContact NZ-OE2 3.17Å; K11-E40 PolarHBondContact NZ-OE2 3.39Å; K11-E40 VanDerWaalsContact NZ-OE2 3.17Å; K11-I53 HydrophobicContact CB-CD1 4.28Å
12L92.9Very high90.2Very high20 Ų2072.4 Ų72.411%0.10535%0.345CS..Hα-helixtrans-61.9-47.6176.9176.767.4000111.6N8 E9 E10 L14 C15 R16 E49 Q52 I53 Y56N8-L12 PolarHBondContact O-N 3.42Å; E9-L12 PolarHBondContact O-N 2.94Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 3.33Å; L12-C15 PolarHBondContact O-N 3.11Å; L12-R16 WeakPolarHBondContact O-CB 3.35Å; L12-R16 PolarHBondContact O-N 3.39Å; L12-E49 HydrophobicContact CB-CB 4.45Å; L12-E49 HydrophobicContact CD2-CB 4.25Å; L12-E49 HydrophobicContact CD2-CG 4.03Å; L12-Q52 HydrophobicContact CD1-CB 3.77Å; L12-I53 HydrophobicContact CB-CD1 4.34Å; L12-I53 HydrophobicContact CB-CG1 4.32Å; L12-I53 HydrophobicContact CD1-CG1 3.77Å; L12-Y56 HydrophobicContact CD1-CD2 4.13Å; L12-Y56 HydrophobicContact CD1-CE2 3.99Å
13N95Very high91.1Very high79 Ų7973.2 Ų73.242%0.42234%0.344SS..Hα-helixtrans-62-40.4179.5-166.92.4000111.1E9 E10 R16 K17E9-N13 WeakPolarHBondContact O-CB 3.42Å; E9-N13 PolarHBondContact O-N 3.04Å; E10-N13 PolarHBondContact O-N 3.38Å; N13-R16 PolarHBondContact O-N 3.14Å; N13-K17 WeakPolarHBondContact O-CG 3.46Å; N13-K17 PolarHBondContact O-N 2.85Å; N13-K17 WeakPolarHBondContact OD1-CE 3.2Å
14L94.3Very high92.1Very high38 Ų3875.4 Ų75.420%0.19937%0.366CS..Hα-helixtrans-64.7-47.7176.3-164.664.6000111.2E10 K11 L12 R16 K17 Y18 W36 F37E10-L14 WeakPolarHBondContact O-CB 3.43Å; E10-L14 PolarHBondContact O-N 2.93Å; K11-L14 PolarHBondContact O-N 3.35Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 3.33Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.16Å; L14-K17 PolarHBondContact O-N 3.5Å; L14-K17 VanDerWaalsContact O-N 3.15Å; L14-Y18 HydrophobicContact CD1-CD2 4.21Å; L14-Y18 HydrophobicContact CD1-CE2 3.72Å; L14-Y18 HydrophobicContact CG-CD2 4.2Å; L14-Y18 HydrophobicContact CG-CE2 3.93Å; L14-Y18 WeakPolarHBondContact O-CD2 3.45Å; L14-Y18 PolarHBondContact O-N 3.07Å; L14-W36 HydrophobicContact CD2-CE3 4.34Å; L14-W36 HydrophobicContact CD2-CH2 3.35Å; L14-W36 HydrophobicContact CD2-CZ2 4.39Å; L14-W36 HydrophobicContact CD2-CZ3 3.31Å; L14-W36 HydrophobicContact CG-CH2 4.37Å; L14-W36 HydrophobicContact CG-CZ3 3.9Å; L14-F37 HydrophobicContact CB-CZ 3.97Å; L14-F37 HydrophobicContact CD2-CZ 4.07Å; L14-F37 HydrophobicContact CG-CZ 4.07Å
15C94.8Very high93Very high0 Ų075 Ų750%036%0.362CS..Hα-helixtrans-57.7-41.9175.3-1730000112K11 L12 Y18 Y19 N33 F37K11-C15 WeakPolarHBondContact O-CB 3.44Å; K11-C15 PolarHBondContact O-N 2.92Å; L12-C15 PolarHBondContact O-N 3.11Å; C15-Y18 PolarHBondContact O-N 2.99Å; C15-Y19 WeakPolarHBondContact O-CB 3.41Å; C15-Y19 PolarHBondContact O-N 2.97Å; C15-N33 PolarHBondContact O-ND2 3.22Å; C15-N33 PolarHBondContact SG-OD1 3.34Å; C15-F37 HydrophobicContact CB-CD1 4.19Å; C15-F37 HydrophobicContact CB-CD2 4Å; C15-F37 HydrophobicContact CB-CE1 4.08Å; C15-F37 HydrophobicContact CB-CE2 3.87Å; C15-F37 HydrophobicContact CB-CG 4.15Å; C15-F37 HydrophobicContact CB-CZ 3.92Å
16R95.6Very high93.6Very high105 Ų10568.8 Ų68.840%0.39634%0.344SS..Hα-helixtrans-63.3-43.8175.8-177.8-177.1-69.1176.22.2112.1L12 N13 L14 Y19 L20 Y56L12-R16 WeakPolarHBondContact O-CB 3.35Å; L12-R16 PolarHBondContact O-N 3.39Å; N13-R16 PolarHBondContact O-N 3.14Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.16Å; R16-Y19 PolarHBondContact O-N 3.14Å; R16-L20 HydrophobicContact CG-CD1 3.91Å; R16-L20 WeakPolarHBondContact O-CD1 3.26Å; R16-L20 PolarHBondContact O-N 3.35Å; R16-Y56 HydrophobicContact CG-CE1 4.46Å; R16-Y56 PolarHBondContact NE-OH 3.37Å; R16-Y56 PolarHBondContact NH2-OH 3.01Å
17K96.1Very high93.9Very high127 Ų12769.2 Ų69.255%0.55235%0.347SS*.Hα-helixtrans-62.6-43.3177.8-75.7174.2-178.4177.50111.9N13 L14 Y19 L20 G21N13-K17 WeakPolarHBondContact O-CG 3.46Å; N13-K17 PolarHBondContact O-N 2.85Å; N13-K17 WeakPolarHBondContact OD1-CE 3.2Å; L14-K17 PolarHBondContact O-N 3.5Å; L14-K17 VanDerWaalsContact O-N 3.15Å; K17-Y19 VanDerWaalsContact C-N 3.35Å; K17-L20 PolarHBondContact O-N 2.89Å; K17-G21 PolarHBondContact O-N 3.41Å
18Y94.9Very high94.2Very high64 Ų6473.5 Ų73.525%0.25136%0.358SS..Hα-helixtrans-65.8-39.4176.3-84.1-113.9000111.6L14 C15 G21 G22 L29 V32 N33 W36L14-Y18 HydrophobicContact CD1-CD2 4.21Å; L14-Y18 HydrophobicContact CD1-CE2 3.72Å; L14-Y18 HydrophobicContact CG-CD2 4.2Å; L14-Y18 HydrophobicContact CG-CE2 3.93Å; L14-Y18 WeakPolarHBondContact O-CD2 3.45Å; L14-Y18 PolarHBondContact O-N 3.07Å; C15-Y18 PolarHBondContact O-N 2.99Å; Y18-G21 PolarHBondContact O-N 2.91Å; Y18-G22 PolarHBondContact O-N 3.44Å; Y18-G22 VanDerWaalsContact O-N 3.11Å; Y18-L29 HydrophobicContact CD1-CD1 3.55Å; Y18-L29 HydrophobicContact CD1-CG 4.07Å; Y18-L29 HydrophobicContact CE1-CD1 3.73Å; Y18-L29 HydrophobicContact CG-CD1 4.4Å; Y18-V32 HydrophobicContact CD1-CG1 4.35Å; Y18-V32 HydrophobicContact CE1-CG1 3.86Å; Y18-N33 WeakPolarHBondContact CB-OD1 3.48Å; Y18-N33 HydrophobicContact CD1-CB 4.41Å; Y18-W36 HydrophobicContact CE1-CE3 4.48Å; Y18-W36 HydrophobicContact CE2-CZ3 4.03Å; Y18-W36 AromaticContact CZ-CZ3 3.82Å
19Y95.9Very high94.5Very high41 Ų4172.8 Ų72.816%0.16136%0.355CS..Hα-helixtrans-60.8-49.1173.4173.2-111.5000112.1C15 R16 K17 G22 F23 W30 Y56 R59 S60C15-Y19 WeakPolarHBondContact O-CB 3.41Å; C15-Y19 PolarHBondContact O-N 2.97Å; R16-Y19 PolarHBondContact O-N 3.14Å; K17-Y19 VanDerWaalsContact C-N 3.35Å; Y19-G22 PolarHBondContact O-N 3.13Å; Y19-F23 HydrophobicContact CD1-CE2 4.31Å; Y19-F23 HydrophobicContact CD2-CE2 4.38Å; Y19-F23 AromaticContact CE1-CE2 3.78Å; Y19-F23 HydrophobicContact CE1-CE2 3.78Å; Y19-F23 HydrophobicContact CE1-CZ 4.37Å; Y19-F23 AromaticContact CE2-CE2 3.84Å; Y19-F23 HydrophobicContact CE2-CE2 3.84Å; Y19-F23 HydrophobicContact CE2-CZ 4.08Å; Y19-F23 AromaticContact CZ-CE2 3.52Å; Y19-F23 AromaticContact CZ-CZ 3.73Å; Y19-F23 WeakPolarHBondContact O-CD2 3.5Å; Y19-F23 WeakPolarHBondContact OH-CZ 3.16Å; Y19-W30 AromaticContact CD2-NE1 3.9Å; Y19-W30 PolarHBondContact O-NE1 3.44Å; Y19-Y56 AromaticContact CD1-CD1 3.6Å; Y19-Y56 HydrophobicContact CD1-CD1 3.6Å; Y19-Y56 AromaticContact CD1-CE1 3.75Å; Y19-Y56 HydrophobicContact CD1-CE1 3.75Å; Y19-Y56 HydrophobicContact CE1-CD1 4.13Å; Y19-Y56 HydrophobicContact CE1-CE1 4.14Å; Y19-Y56 AromaticContact CG-CD1 3.85Å; Y19-Y56 HydrophobicContact CG-CD1 3.85Å; Y19-Y56 HydrophobicContact CG-CE1 4.44Å; Y19-R59 HydrophobicContact CD2-CB 4.46Å; Y19-R59 HydrophobicContact CE2-CB 3.71Å; Y19-S60 WeakPolarHBondContact CD2-OG 3.47Å
20L96Very high94.8Very high107 Ų10766.4 Ų66.456%0.5632%0.324SS*.Hα-helixtrans-63.2-43176.6-9680.5000111.9R16 K17 G22 F23R16-L20 HydrophobicContact CG-CD1 3.91Å; R16-L20 WeakPolarHBondContact O-CD1 3.26Å; R16-L20 PolarHBondContact O-N 3.35Å; K17-L20 PolarHBondContact O-N 2.89Å; L20-G22 PolarHBondContact O-N 2.86Å; L20-F23 WeakPolarHBondContact O-CB 3.49Å; L20-F23 PolarHBondContact O-N 3.29Å; L20-F23 VanDerWaalsContact O-N 3.15Å
21G95.6Very high95.1Very high24 Ų2462.8 Ų62.825%0.24731%0.308CS..Hα-helixtrans-59.8-33.3-179.900000113K17 Y18 F23 A24K17-G21 PolarHBondContact O-N 3.41Å; Y18-G21 PolarHBondContact O-N 2.91Å; G21-F23 PolarHBondContact O-N 3.15Å; G21-A24 WeakPolarHBondContact O-CB 3.42Å; G21-A24 PolarHBondContact O-N 3.26Å
22G94.6Very high95.4Very high0 Ų064.6 Ų64.60%032%0.321CS..Hα-helixtrans-65.7-20.2179.800000114.3Y18 Y19 L20 A24 L26Y18-G22 PolarHBondContact O-N 3.44Å; Y18-G22 VanDerWaalsContact O-N 3.11Å; Y19-G22 PolarHBondContact O-N 3.13Å; L20-G22 PolarHBondContact O-N 2.86Å; G22-A24 PolarHBondContact O-N 3.38Å; G22-L26 PolarHBondContact O-N 2.84Å; G22-L26 VanDerWaalsContact O-N 3.15Å
23F95.2Very high95.5Very high120 Ų12063.7 Ų63.753%0.52632%0.316SS..THydrogen-bonded Turntrans-68.9-14.7173.2-72.3-79.1000113.6Y19 L20 G21 F25 W30Y19-F23 HydrophobicContact CD1-CE2 4.31Å; Y19-F23 HydrophobicContact CD2-CE2 4.38Å; Y19-F23 AromaticContact CE1-CE2 3.78Å; Y19-F23 HydrophobicContact CE1-CE2 3.78Å; Y19-F23 HydrophobicContact CE1-CZ 4.37Å; Y19-F23 AromaticContact CE2-CE2 3.84Å; Y19-F23 HydrophobicContact CE2-CE2 3.84Å; Y19-F23 HydrophobicContact CE2-CZ 4.08Å; Y19-F23 AromaticContact CZ-CE2 3.52Å; Y19-F23 AromaticContact CZ-CZ 3.73Å; Y19-F23 WeakPolarHBondContact O-CD2 3.5Å; Y19-F23 WeakPolarHBondContact OH-CZ 3.16Å; L20-F23 WeakPolarHBondContact O-CB 3.49Å; L20-F23 PolarHBondContact O-N 3.29Å; L20-F23 VanDerWaalsContact O-N 3.15Å; G21-F23 PolarHBondContact O-N 3.15Å; F23-F25 PolarHBondContact O-N 2.83Å; F23-W30 HydrophobicContact CB-CZ2 4.49Å; F23-W30 HydrophobicContact CD1-CH2 4.04Å; F23-W30 AromaticContact CD1-CZ2 3.84Å; F23-W30 HydrophobicContact CD1-CZ2 3.84Å; F23-W30 AromaticContact CD2-CZ2 3.88Å; F23-W30 HydrophobicContact CD2-CZ2 3.88Å; F23-W30 HydrophobicContact CE1-CH2 4.14Å; F23-W30 AromaticContact CE1-CZ2 3.94Å; F23-W30 HydrophobicContact CE1-CZ2 3.94Å; F23-W30 AromaticContact CE2-CZ2 4Å; F23-W30 HydrophobicContact CE2-CZ2 4Å; F23-W30 HydrophobicContact CG-CH2 4.42Å; F23-W30 AromaticContact CG-CZ2 3.81Å; F23-W30 HydrophobicContact CG-CZ2 3.81Å; F23-W30 HydrophobicContact CZ-CZ2 4.03Å
24A96.5Very high95.6Very high67 Ų6761.1 Ų61.155%0.55430%0.302SS*.THydrogen-bonded Turntrans-78.436.5173.100000112.7G21 G22 L26G21-A24 WeakPolarHBondContact O-CB 3.42Å; G21-A24 PolarHBondContact O-N 3.26Å; G22-A24 PolarHBondContact O-N 3.38Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 HydrophobicContact CB-CD1 4.34Å; A24-L26 PolarHBondContact O-N 2.9Å
25F94.2Very high95.6Very high158 Ų15866.3 Ų66.369%0.69332%0.323SS*.THydrogen-bonded Turntrans59.935.6-175.2-51.6-54.7000114.3F23 P27 W67F23-F25 PolarHBondContact O-N 2.83Å; F25-P27 WeakPolarHBondContact O-CD 3.43Å; F25-W67 AromaticContact CD1-CH2 3.38Å; F25-W67 HydrophobicContact CD1-CH2 3.38Å; F25-W67 AromaticContact CD1-CZ2 3.4Å; F25-W67 HydrophobicContact CD1-CZ2 3.4Å; F25-W67 VanDerWaalsContact CD1-CZ2 3.4Å; F25-W67 AromaticContact CE1-CH2 3.89Å; F25-W67 HydrophobicContact CE1-CH2 3.89Å; F25-W67 AromaticContact CE1-CZ2 3.98Å; F25-W67 HydrophobicContact CE1-CZ2 3.98Å; F25-W67 HydrophobicContact CG-CH2 4.36Å; F25-W67 HydrophobicContact CG-CZ2 4.48Å
26L95.8Very high95.6Very high87 Ų8769.6 Ų69.646%0.45534%0.335SS..  trans-114.372.2-177.3-63.9172.2000111.1G22 A24 F28 L29 W30G22-L26 PolarHBondContact O-N 2.84Å; G22-L26 VanDerWaalsContact O-N 3.15Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 HydrophobicContact CB-CD1 4.34Å; A24-L26 PolarHBondContact O-N 2.9Å; L26-F28 PolarHBondContact O-N 3.4Å; L26-L29 HydrophobicContact CB-CB 3.8Å; L26-L29 HydrophobicContact CB-CD2 4.49Å; L26-L29 HydrophobicContact CD1-CD2 4.18Å; L26-L29 WeakPolarHBondContact O-CB 3.36Å; L26-L29 PolarHBondContact O-N 3.32Å; L26-W30 PolarHBondContact O-N 2.93Å
27P93.8Very high95.5Very high26 Ų2664.6 Ų64.617%0.16932%0.317CS..Hα-helixtrans-61.5-33.6179.124.7-33.3000112.2F25 L29 W30 L31 F64 W67F25-P27 WeakPolarHBondContact O-CD 3.43Å; P27-L29 PolarHBondContact O-N 3.33Å; P27-W30 WeakPolarHBondContact O-CB 3.39Å; P27-W30 PolarHBondContact O-N 3.45Å; P27-W30 VanDerWaalsContact O-N 3.15Å; P27-L31 PolarHBondContact O-N 3Å; P27-F64 HydrophobicContact CB-CD2 4.08Å; P27-F64 VanDerWaalsContact O-CD2 3.3Å; P27-F64 WeakPolarHBondContact O-CD2 3.28Å; P27-W67 HydrophobicContact CB-CB 3.61Å; P27-W67 HydrophobicContact CB-CG 3.75Å; P27-W67 HydrophobicContact CG-CB 4.15Å; P27-W67 HydrophobicContact CG-CG 4.16Å
28F95.1Very high95.4Very high149 Ų14963.1 Ų63.165%0.65431%0.311SS*.Hα-helixtrans-64.3-29.1176.4-163.5-101.1000112.4L26 L31 V32L26-F28 PolarHBondContact O-N 3.4Å; F28-L31 HydrophobicContact CD2-CD2 4Å; F28-L31 HydrophobicContact CE2-CD2 3.97Å; F28-L31 WeakPolarHBondContact O-CB 3.34Å; F28-L31 PolarHBondContact O-N 3.15Å; F28-V32 HydrophobicContact CD1-CG2 4.12Å; F28-V32 HydrophobicContact CE1-CG2 3.95Å; F28-V32 WeakPolarHBondContact O-CG2 3.48Å; F28-V32 PolarHBondContact O-N 3.38Å
29L95.6Very high95.2Very high47 Ų4768.3 Ų68.325%0.24633%0.33CS..Hα-helixtrans-69-38.4174.9-170.666.9000111.5Y18 L26 P27 L31 V32 N33Y18-L29 HydrophobicContact CD1-CD1 3.55Å; Y18-L29 HydrophobicContact CD1-CG 4.07Å; Y18-L29 HydrophobicContact CE1-CD1 3.73Å; Y18-L29 HydrophobicContact CG-CD1 4.4Å; L26-L29 HydrophobicContact CB-CB 3.8Å; L26-L29 HydrophobicContact CB-CD2 4.49Å; L26-L29 HydrophobicContact CD1-CD2 4.18Å; L26-L29 WeakPolarHBondContact O-CB 3.36Å; L26-L29 PolarHBondContact O-N 3.32Å; P27-L29 PolarHBondContact O-N 3.33Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-V32 PolarHBondContact O-N 3.47Å; L29-N33 PolarHBondContact O-N 3.47Å
30W97.3Very high95Very high9 Ų967.7 Ų67.73%0.03433%0.328CS..Hα-helixtrans-62.5-38.7169.4-74.9-26000111.8Y19 F23 L26 P27 N33 I34 G63 F64 W67Y19-W30 AromaticContact CD2-NE1 3.9Å; Y19-W30 PolarHBondContact O-NE1 3.44Å; F23-W30 HydrophobicContact CB-CZ2 4.49Å; F23-W30 HydrophobicContact CD1-CH2 4.04Å; F23-W30 AromaticContact CD1-CZ2 3.84Å; F23-W30 HydrophobicContact CD1-CZ2 3.84Å; F23-W30 AromaticContact CD2-CZ2 3.88Å; F23-W30 HydrophobicContact CD2-CZ2 3.88Å; F23-W30 HydrophobicContact CE1-CH2 4.14Å; F23-W30 AromaticContact CE1-CZ2 3.94Å; F23-W30 HydrophobicContact CE1-CZ2 3.94Å; F23-W30 AromaticContact CE2-CZ2 4Å; F23-W30 HydrophobicContact CE2-CZ2 4Å; F23-W30 HydrophobicContact CG-CH2 4.42Å; F23-W30 AromaticContact CG-CZ2 3.81Å; F23-W30 HydrophobicContact CG-CZ2 3.81Å; F23-W30 HydrophobicContact CZ-CZ2 4.03Å; L26-W30 PolarHBondContact O-N 2.93Å; P27-W30 WeakPolarHBondContact O-CB 3.39Å; P27-W30 PolarHBondContact O-N 3.45Å; P27-W30 VanDerWaalsContact O-N 3.15Å; W30-N33 WeakPolarHBondContact O-CB 3.31Å; W30-N33 PolarHBondContact O-N 3.2Å; W30-I34 WeakPolarHBondContact O-CD1 3.27Å; W30-I34 WeakPolarHBondContact O-CG1 3.39Å; W30-I34 PolarHBondContact O-N 3.17Å; W30-G63 VanDerWaalsContact CZ3-CA 3.44Å; W30-G63 WeakPolarHBondContact CZ3-O 3.3Å; W30-F64 HydrophobicContact CB-CB 4.27Å; W30-W67 AromaticContact CE3-CD1 3.84Å; W30-W67 AromaticContact CH2-NE1 3.96Å; W30-W67 AromaticContact CZ3-CD1 3.29Å; W30-W67 AromaticContact CZ3-NE1 3.41Å
31L96.8Very high94.7Very high36 Ų3662.8 Ų62.819%0.18830%0.303CS..Hα-helixtrans-60.8-46.7175.3-168.663.4000112.2P27 F28 L29 N33 I34 F35 F64P27-L31 PolarHBondContact O-N 3Å; F28-L31 HydrophobicContact CD2-CD2 4Å; F28-L31 HydrophobicContact CE2-CD2 3.97Å; F28-L31 WeakPolarHBondContact O-CB 3.34Å; F28-L31 PolarHBondContact O-N 3.15Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L31-N33 VanDerWaalsContact C-N 3.32Å; L31-N33 PolarHBondContact O-N 2.88Å; L31-I34 PolarHBondContact O-N 3.17Å; L31-F35 HydrophobicContact CD1-CD2 3.96Å; L31-F35 HydrophobicContact CD1-CE2 3.45Å; L31-F35 VanDerWaalsContact CD1-CE2 3.45Å; L31-F35 HydrophobicContact CD1-CZ 4.4Å; L31-F35 HydrophobicContact CD2-CE2 4.27Å; L31-F35 HydrophobicContact CG-CD2 3.88Å; L31-F35 HydrophobicContact CG-CE2 3.67Å; L31-F35 VanDerWaalsContact O-CD2 3.3Å; L31-F35 WeakPolarHBondContact O-CD2 3.22Å; L31-F35 PolarHBondContact O-N 2.98Å; L31-F35 VanDerWaalsContact O-N 3.07Å; L31-F64 HydrophobicContact CB-CD2 4.06Å; L31-F64 HydrophobicContact CB-CE2 3.95Å; L31-F64 HydrophobicContact CB-CZ 4.47Å; L31-F64 HydrophobicContact CD1-CD1 4.17Å; L31-F64 HydrophobicContact CD1-CD2 4.43Å; L31-F64 HydrophobicContact CD1-CE1 3.83Å; L31-F64 HydrophobicContact CD1-CE2 4.11Å; L31-F64 HydrophobicContact CD1-CG 4.45Å; L31-F64 HydrophobicContact CD1-CZ 3.79Å; L31-F64 HydrophobicContact CD2-CE2 4.09Å; L31-F64 HydrophobicContact CD2-CZ 4.03Å; L31-F64 HydrophobicContact CG-CE2 4.27Å; L31-F64 HydrophobicContact CG-CZ 4.32Å
32V96.4Very high94.4Very high53 Ų5365.9 Ų65.932%0.32131%0.31SS..Hα-helixtrans-59.3-44.4174.51730000110.7Y18 F28 L29 I34 F35 W36Y18-V32 HydrophobicContact CD1-CG1 4.35Å; Y18-V32 HydrophobicContact CE1-CG1 3.86Å; F28-V32 HydrophobicContact CD1-CG2 4.12Å; F28-V32 HydrophobicContact CE1-CG2 3.95Å; F28-V32 WeakPolarHBondContact O-CG2 3.48Å; F28-V32 PolarHBondContact O-N 3.38Å; L29-V32 PolarHBondContact O-N 3.47Å; V32-I34 VanDerWaalsContact C-N 3.31Å; V32-I34 PolarHBondContact O-N 3.23Å; V32-F35 PolarHBondContact O-N 3.12Å; V32-W36 WeakPolarHBondContact O-CB 3.38Å; V32-W36 PolarHBondContact O-N 2.78Å
33N96.2Very high94.2Very high0 Ų071.3 Ų71.30%034%0.338CS..Hα-helixtrans-57.2-45177-16434.9000111.7C15 Y18 L29 W30 L31 F37 S60C15-N33 PolarHBondContact O-ND2 3.22Å; C15-N33 PolarHBondContact SG-OD1 3.34Å; Y18-N33 WeakPolarHBondContact CB-OD1 3.48Å; Y18-N33 HydrophobicContact CD1-CB 4.41Å; L29-N33 PolarHBondContact O-N 3.47Å; W30-N33 WeakPolarHBondContact O-CB 3.31Å; W30-N33 PolarHBondContact O-N 3.2Å; L31-N33 VanDerWaalsContact C-N 3.32Å; L31-N33 PolarHBondContact O-N 2.88Å; N33-F37 WeakPolarHBondContact O-CB 2.96Å; N33-F37 WeakPolarHBondContact O-CD2 3.42Å; N33-F37 PolarHBondContact O-N 3.19Å; N33-F37 VanDerWaalsContact O-N 3.09Å; N33-F37 WeakPolarHBondContact OD1-CD2 3.42Å; N33-F37 WeakPolarHBondContact OD1-CE2 3.41Å; N33-S60 PolarHBondContact ND2-OG 3.15Å
34I96.1Very high93.8Very high26 Ų2666.8 Ų66.813%0.13332%0.323CS..Hα-helixtrans-61.3-56.8179.7-64.7156.1000109.9W30 L31 V32 W36 F37 F38 V57 A61 F64W30-I34 WeakPolarHBondContact O-CD1 3.27Å; W30-I34 WeakPolarHBondContact O-CG1 3.39Å; W30-I34 PolarHBondContact O-N 3.17Å; L31-I34 PolarHBondContact O-N 3.17Å; V32-I34 VanDerWaalsContact C-N 3.31Å; V32-I34 PolarHBondContact O-N 3.23Å; I34-W36 VanDerWaalsContact C-N 3.32Å; I34-W36 PolarHBondContact O-N 3.31Å; I34-F37 PolarHBondContact O-N 3.46Å; I34-F38 WeakPolarHBondContact O-CA 3.47Å; I34-F38 WeakPolarHBondContact O-CB 3.11Å; I34-F38 PolarHBondContact O-N 3.45Å; I34-V57 HydrophobicContact CG1-CG1 4.49Å; I34-V57 HydrophobicContact CG2-CG1 4.26Å; I34-A61 VanDerWaalsContact CD1-CA 3.42Å; I34-A61 HydrophobicContact CD1-CB 3.83Å; I34-A61 HydrophobicContact CG1-CB 4.27Å; I34-F64 HydrophobicContact CD1-CB 4.26Å
35F95.6Very high93.3Very high147 Ų14768.9 Ų68.965%0.64533%0.331SS*.Hα-helixtrans-63.3-39-176.4-77.9-66.8000112.8L31 V32L31-F35 HydrophobicContact CD1-CD2 3.96Å; L31-F35 HydrophobicContact CD1-CE2 3.45Å; L31-F35 VanDerWaalsContact CD1-CE2 3.45Å; L31-F35 HydrophobicContact CD1-CZ 4.4Å; L31-F35 HydrophobicContact CD2-CE2 4.27Å; L31-F35 HydrophobicContact CG-CD2 3.88Å; L31-F35 HydrophobicContact CG-CE2 3.67Å; L31-F35 VanDerWaalsContact O-CD2 3.3Å; L31-F35 WeakPolarHBondContact O-CD2 3.22Å; L31-F35 PolarHBondContact O-N 2.98Å; L31-F35 VanDerWaalsContact O-N 3.07Å; V32-F35 PolarHBondContact O-N 3.12Å
36W94Very high93Very high68 Ų6866 Ų6626%0.25834%0.336SS..Hα-helixtrans-71.9-38.7-175.3-159.530000112.3M1 L3 L14 Y18 V32 I34M1-W36 HydrophobicContact CB-CH2 4.47Å; M1-W36 HydrophobicContact CB-CZ2 4.19Å; L3-W36 HydrophobicContact CD1-CD2 4.17Å; L3-W36 HydrophobicContact CD1-CG 3.92Å; L3-W36 VanDerWaalsContact CD1-NE1 3.27Å; L3-W36 WeakPolarHBondContact CD1-O 3.38Å; L3-W36 HydrophobicContact CD2-CD2 4.45Å; L3-W36 HydrophobicContact CD2-CZ2 4.06Å; L3-W36 HydrophobicContact CG-CD2 4.44Å; L3-W36 HydrophobicContact CG-CZ2 4.02Å; L14-W36 HydrophobicContact CD2-CE3 4.34Å; L14-W36 HydrophobicContact CD2-CH2 3.35Å; L14-W36 HydrophobicContact CD2-CZ2 4.39Å; L14-W36 HydrophobicContact CD2-CZ3 3.31Å; L14-W36 HydrophobicContact CG-CH2 4.37Å; L14-W36 HydrophobicContact CG-CZ3 3.9Å; Y18-W36 HydrophobicContact CE1-CE3 4.48Å; Y18-W36 HydrophobicContact CE2-CZ3 4.03Å; Y18-W36 AromaticContact CZ-CZ3 3.82Å; V32-W36 WeakPolarHBondContact O-CB 3.38Å; V32-W36 PolarHBondContact O-N 2.78Å; I34-W36 VanDerWaalsContact C-N 3.32Å; I34-W36 PolarHBondContact O-N 3.31Å
37F94.7Very high92.6Very high0 Ų063.9 Ų63.90%032%0.322CS..Hα-helixtrans-97.3-1179.4-67.6-80.4000114.3L3 K11 L14 C15 N33 I34 R39 E40 A41 I53 V57L3-F37 HydrophobicContact CD2-CE1 3.9Å; L3-F37 HydrophobicContact CD2-CZ 4.27Å; K11-F37 HydrophobicContact CB-CE1 4.01Å; K11-F37 VanDerWaalsContact O-CE1 3.31Å; K11-F37 WeakPolarHBondContact O-CE1 3.39Å; L14-F37 HydrophobicContact CB-CZ 3.97Å; L14-F37 HydrophobicContact CD2-CZ 4.07Å; L14-F37 HydrophobicContact CG-CZ 4.07Å; C15-F37 HydrophobicContact CB-CD1 4.19Å; C15-F37 HydrophobicContact CB-CD2 4Å; C15-F37 HydrophobicContact CB-CE1 4.08Å; C15-F37 HydrophobicContact CB-CE2 3.87Å; C15-F37 HydrophobicContact CB-CG 4.15Å; C15-F37 HydrophobicContact CB-CZ 3.92Å; N33-F37 WeakPolarHBondContact O-CB 2.96Å; N33-F37 WeakPolarHBondContact O-CD2 3.42Å; N33-F37 PolarHBondContact O-N 3.19Å; N33-F37 VanDerWaalsContact O-N 3.09Å; N33-F37 WeakPolarHBondContact OD1-CD2 3.42Å; N33-F37 WeakPolarHBondContact OD1-CE2 3.41Å; I34-F37 PolarHBondContact O-N 3.46Å; F37-R39 PolarHBondContact O-N 3.38Å; F37-E40 PolarHBondContact O-N 2.84Å; F37-A41 VanDerWaalsContact O-CB 3.27Å; F37-A41 WeakPolarHBondContact O-CB 3.49Å; F37-A41 PolarHBondContact O-N 2.97Å; F37-I53 HydrophobicContact CB-CG2 4.08Å; F37-I53 HydrophobicContact CD1-CG2 4.29Å; F37-I53 HydrophobicContact CG-CG2 4.47Å; F37-V57 HydrophobicContact CB-CG2 3.71Å
38F94.1Very high92.4Very high97 Ų9768.4 Ų68.443%0.42535%0.35SS..Hα-helixtrans-57.7-46.9179.8-173.5-97.4000112.1I34 E40 A41 F42 L43I34-F38 WeakPolarHBondContact O-CA 3.47Å; I34-F38 WeakPolarHBondContact O-CB 3.11Å; I34-F38 PolarHBondContact O-N 3.45Å; F38-E40 VanDerWaalsContact C-N 3.34Å; F38-E40 PolarHBondContact O-N 2.92Å; F38-A41 PolarHBondContact O-N 3Å; F38-F42 AromaticContact CD2-CD2 3.55Å; F38-F42 HydrophobicContact CD2-CD2 3.55Å; F38-F42 AromaticContact CD2-CE2 3.74Å; F38-F42 HydrophobicContact CD2-CE2 3.74Å; F38-F42 AromaticContact CE2-CD2 3.57Å; F38-F42 HydrophobicContact CE2-CD2 3.57Å; F38-F42 AromaticContact CE2-CE2 3.77Å; F38-F42 HydrophobicContact CE2-CE2 3.77Å; F38-F42 HydrophobicContact CE2-CG 4.28Å; F38-F42 HydrophobicContact CG-CD2 4.09Å; F38-F42 HydrophobicContact CZ-CD2 4.12Å; F38-F42 HydrophobicContact CZ-CG 4.46Å; F38-F42 WeakPolarHBondContact O-CD2 3.37Å; F38-F42 PolarHBondContact O-N 2.98Å; F38-L43 HydrophobicContact CD1-CD1 4.22Å; F38-L43 HydrophobicContact CE1-CD1 3.94Å
39R90.4Very high92.1Very high173 Ų17362.7 Ų62.765%0.65333%0.325SS*.Hα-helixtrans-63.2-42178.4-68.1-17469.9-160.1-1.1111.5F37 A41 L43 A44F37-R39 PolarHBondContact O-N 3.38Å; R39-A41 VanDerWaalsContact C-N 3.33Å; R39-A41 PolarHBondContact O-N 2.88Å; R39-L43 HydrophobicContact CG-CD2 4.43Å; R39-L43 CarbonylContact O-C 3.54Å; R39-L43 WeakPolarHBondContact O-CA 3.39Å; R39-L43 WeakPolarHBondContact O-CB 3.41Å; R39-L43 PolarHBondContact O-N 3.07Å; R39-A44 PolarHBondContact O-N 2.96Å
40E90Very high91.9Very high28 Ų2862 Ų6213%0.13132%0.321CS..Hα-helixtrans-67.4-33178.5-65.3-68.1176.300112.8L3 K11 F37 F38 Y47 Q50L3-E40 HydrophobicContact CD1-CG 4.44Å; K11-E40 HydrophobicContact CD-CG 4.43Å; K11-E40 IonicContact NZ-OE1 2.78Å; K11-E40 PolarHBondContact NZ-OE1 3.45Å; K11-E40 IonicContact NZ-OE2 3.17Å; K11-E40 PolarHBondContact NZ-OE2 3.39Å; K11-E40 VanDerWaalsContact NZ-OE2 3.17Å; F37-E40 PolarHBondContact O-N 2.84Å; F38-E40 VanDerWaalsContact C-N 3.34Å; F38-E40 PolarHBondContact O-N 2.92Å; E40-Y47 PolarHBondContact O-OH 3.21Å; E40-Q50 PolarHBondContact O-NE2 2.85Å
41A90.1Very high91.6Very high3 Ų366.3 Ų66.33%0.02535%0.352CS..Hα-helixtrans-81.1-32.5-178.600000113.8F37 F38 R39 I53 K54 V57F37-A41 VanDerWaalsContact O-CB 3.27Å; F37-A41 WeakPolarHBondContact O-CB 3.49Å; F37-A41 PolarHBondContact O-N 2.97Å; F38-A41 PolarHBondContact O-N 3Å; R39-A41 VanDerWaalsContact C-N 3.33Å; R39-A41 PolarHBondContact O-N 2.88Å; A41-I53 HydrophobicContact CB-CG2 4.21Å; A41-K54 HydrophobicContact CB-CB 4.27Å; A41-V57 HydrophobicContact CB-CG2 4.25Å
42F90.1Very high91.5Very high90 Ų9069.3 Ų69.340%0.39537%0.365SS..Hα-helixtrans-123.7-26-169.5-63.5-83.3000115.2F38 K54 V57F38-F42 AromaticContact CD2-CD2 3.55Å; F38-F42 HydrophobicContact CD2-CD2 3.55Å; F38-F42 AromaticContact CD2-CE2 3.74Å; F38-F42 HydrophobicContact CD2-CE2 3.74Å; F38-F42 AromaticContact CE2-CD2 3.57Å; F38-F42 HydrophobicContact CE2-CD2 3.57Å; F38-F42 AromaticContact CE2-CE2 3.77Å; F38-F42 HydrophobicContact CE2-CE2 3.77Å; F38-F42 HydrophobicContact CE2-CG 4.28Å; F38-F42 HydrophobicContact CG-CD2 4.09Å; F38-F42 HydrophobicContact CZ-CD2 4.12Å; F38-F42 HydrophobicContact CZ-CG 4.46Å; F38-F42 WeakPolarHBondContact O-CD2 3.37Å; F38-F42 PolarHBondContact O-N 2.98Å; F42-K54 HydrophobicContact CE1-CD 4.24Å; F42-K54 VanDerWaalsContact CE1-CE 3.5Å; F42-K54 HydrophobicContact CE1-CG 4.14Å; F42-K54 HydrophobicContact CZ-CG 4.09Å; F42-V57 HydrophobicContact CE2-CG1 4.13Å
43L89.4Confident91.4Very high113 Ų11366.8 Ų66.859%0.59235%0.35SS*.THydrogen-bonded Turntrans-108-24.4-175.3-78.872.6000113.1F38 R39F38-L43 HydrophobicContact CD1-CD1 4.22Å; F38-L43 HydrophobicContact CE1-CD1 3.94Å; R39-L43 HydrophobicContact CG-CD2 4.43Å; R39-L43 CarbonylContact O-C 3.54Å; R39-L43 WeakPolarHBondContact O-CA 3.39Å; R39-L43 WeakPolarHBondContact O-CB 3.41Å; R39-L43 PolarHBondContact O-N 3.07Å
44A87.1Confident91.3Very high25 Ų2571.8 Ų71.821%0.20737%0.372CS..SBendtrans-71150.4-179.700000112.1R39 Y47 Q50R39-A44 PolarHBondContact O-N 2.96Å; A44-Y47 HydrophobicContact CB-CE1 4.17Å; A44-Q50 PolarHBondContact O-NE2 3.21Å
45P87.3Confident91.2Very high112 Ų11271.9 Ų71.973%0.72738%0.379SS*.PPolyproline II helixtrans-55.9157.9170.8-21.832.4000112Y47P45-Y47 VanDerWaalsContact O-CD1 3.28Å; P45-Y47 WeakPolarHBondContact O-CD1 3.38Å; P45-Y47 PolarHBondContact O-N 3.28Å
46A86.7Confident91.2Very high97 Ų9766.6 Ų66.680%0.80236%0.355SS*.PPolyproline II helixtrans-62.3126.4-177.900000112.6
47Y87.9Confident91.3Very high42 Ų4263.5 Ų63.517%0.16534%0.344CS..  trans-135.9162169.761.4-87.5000110.7N8 E40 A44 P45 E49 Q50 I53N8-Y47 HydrophobicContact CB-CD2 4.11Å; N8-Y47 HydrophobicContact CB-CE2 4.33Å; E40-Y47 PolarHBondContact O-OH 3.21Å; A44-Y47 HydrophobicContact CB-CE1 4.17Å; P45-Y47 VanDerWaalsContact O-CD1 3.28Å; P45-Y47 WeakPolarHBondContact O-CD1 3.38Å; P45-Y47 PolarHBondContact O-N 3.28Å; Y47-E49 VanDerWaalsContact C-N 3.32Å; Y47-E49 HydrophobicContact CD2-CB 4.2Å; Y47-E49 HydrophobicContact CE2-CB 4.08Å; Y47-E49 PolarHBondContact O-N 3.15Å; Y47-Q50 HydrophobicContact CD1-CB 3.93Å; Y47-Q50 HydrophobicContact CD1-CG 4.32Å; Y47-Q50 HydrophobicContact CD2-CB 4.05Å; Y47-Q50 HydrophobicContact CE1-CB 3.71Å; Y47-Q50 HydrophobicContact CE1-CG 3.79Å; Y47-Q50 HydrophobicContact CE2-CB 3.85Å; Y47-Q50 VanDerWaalsContact CE2-N 3.3Å; Y47-Q50 HydrophobicContact CG-CB 4.07Å; Y47-Q50 VanDerWaalsContact O-CB 3.29Å; Y47-Q50 WeakPolarHBondContact O-CB 3.22Å; Y47-Q50 PolarHBondContact O-N 2.85Å; Y47-Q50 VanDerWaalsContact O-N 3.14Å; Y47-I53 HydrophobicContact CE2-CD1 4.03Å; Y47-I53 WeakPolarHBondContact OH-CD1 3.35Å
48T88.8Confident91.4Very high122 Ų12271.8 Ų71.875%0.74838%0.375SS*.THydrogen-bonded Turntrans-48.7-45.9-172.243.70000114.2
49E90.3Very high91.5Very high28 Ų2874 Ų7413%0.13138%0.381CS..THydrogen-bonded Turntrans-92.2-4.4-173.7-61.1128.5-146.700114.2N8 E9 L12 Y47 S51 Q52 I53N8-E49 WeakPolarHBondContact CA-OE2 3.18Å; N8-E49 WeakPolarHBondContact CB-OE2 3.5Å; E9-E49 PolarHBondContact N-OE2 3.09Å; L12-E49 HydrophobicContact CB-CB 4.45Å; L12-E49 HydrophobicContact CD2-CB 4.25Å; L12-E49 HydrophobicContact CD2-CG 4.03Å; Y47-E49 VanDerWaalsContact C-N 3.32Å; Y47-E49 HydrophobicContact CD2-CB 4.2Å; Y47-E49 HydrophobicContact CE2-CB 4.08Å; Y47-E49 PolarHBondContact O-N 3.15Å; E49-S51 VanDerWaalsContact C-N 3.28Å; E49-S51 PolarHBondContact O-N 3.11Å; E49-Q52 WeakPolarHBondContact O-CB 3.46Å; E49-Q52 PolarHBondContact O-N 3.5Å; E49-I53 PolarHBondContact O-N 3.05Å; E49-I53 VanDerWaalsContact O-N 3.08Å
50Q90.8Very high91.8Very high34 Ų3465.8 Ų65.816%0.15935%0.349CS..Hα-helixtrans-57.6-41-173.5-170.1-177.43200112.3E40 A44 Y47 Q52 I53 K54E40-Q50 PolarHBondContact O-NE2 2.85Å; A44-Q50 PolarHBondContact O-NE2 3.21Å; Y47-Q50 HydrophobicContact CD1-CB 3.93Å; Y47-Q50 HydrophobicContact CD1-CG 4.32Å; Y47-Q50 HydrophobicContact CD2-CB 4.05Å; Y47-Q50 HydrophobicContact CE1-CB 3.71Å; Y47-Q50 HydrophobicContact CE1-CG 3.79Å; Y47-Q50 HydrophobicContact CE2-CB 3.85Å; Y47-Q50 VanDerWaalsContact CE2-N 3.3Å; Y47-Q50 HydrophobicContact CG-CB 4.07Å; Y47-Q50 VanDerWaalsContact O-CB 3.29Å; Y47-Q50 WeakPolarHBondContact O-CB 3.22Å; Y47-Q50 PolarHBondContact O-N 2.85Å; Y47-Q50 VanDerWaalsContact O-N 3.14Å; Q50-Q52 VanDerWaalsContact C-N 3.29Å; Q50-Q52 PolarHBondContact O-N 3.47Å; Q50-I53 PolarHBondContact O-N 2.95Å; Q50-K54 WeakPolarHBondContact O-CB 3.36Å; Q50-K54 PolarHBondContact O-N 2.96Å
51S91.7Very high92.1Very high99 Ų9965.9 Ų65.969%0.69236%0.355SS*.Hα-helixtrans-61.1-38.5178.1-1760000112E49 G55E49-S51 VanDerWaalsContact C-N 3.28Å; E49-S51 PolarHBondContact O-N 3.11Å; S51-G55 PolarHBondContact O-N 3.39Å
52Q93.4Very high92.5Very high99 Ų9969.5 Ų69.546%0.46338%0.376SS..Hα-helixtrans-69.5-44.8177.2-61.5-171.117.900111.3L12 E49 Q50 K54 G55 Y56L12-Q52 HydrophobicContact CD1-CB 3.77Å; E49-Q52 WeakPolarHBondContact O-CB 3.46Å; E49-Q52 PolarHBondContact O-N 3.5Å; Q50-Q52 VanDerWaalsContact C-N 3.29Å; Q50-Q52 PolarHBondContact O-N 3.47Å; Q52-K54 VanDerWaalsContact C-N 3.33Å; Q52-K54 PolarHBondContact O-N 3.3Å; Q52-G55 PolarHBondContact O-N 3.46Å; Q52-G55 VanDerWaalsContact O-N 3.13Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.12Å; Q52-Y56 PolarHBondContact O-N 2.92Å
53I93.8Very high92.7Very high0 Ų065.9 Ų65.90%036%0.364CS..Hα-helixtrans-59.6-45176.9-67.9174.3000110.3K11 L12 F37 A41 Y47 E49 Q50 G55 Y56 V57K11-I53 HydrophobicContact CB-CD1 4.28Å; L12-I53 HydrophobicContact CB-CD1 4.34Å; L12-I53 HydrophobicContact CB-CG1 4.32Å; L12-I53 HydrophobicContact CD1-CG1 3.77Å; F37-I53 HydrophobicContact CB-CG2 4.08Å; F37-I53 HydrophobicContact CD1-CG2 4.29Å; F37-I53 HydrophobicContact CG-CG2 4.47Å; A41-I53 HydrophobicContact CB-CG2 4.21Å; Y47-I53 HydrophobicContact CE2-CD1 4.03Å; Y47-I53 WeakPolarHBondContact OH-CD1 3.35Å; E49-I53 PolarHBondContact O-N 3.05Å; E49-I53 VanDerWaalsContact O-N 3.08Å; Q50-I53 PolarHBondContact O-N 2.95Å; I53-G55 VanDerWaalsContact C-N 3.29Å; I53-G55 PolarHBondContact O-N 3.4Å; I53-Y56 PolarHBondContact O-N 3.44Å; I53-Y56 VanDerWaalsContact O-N 3.14Å; I53-V57 HydrophobicContact CG2-CG2 4.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.4Å
54K94.3Very high93.1Very high105 Ų10563.1 Ų63.146%0.45735%0.348SS..Hα-helixtrans-57.3-42.7174.9-173.3179.7-179.21780112.1A41 F42 Q50 Q52 V57 W58A41-K54 HydrophobicContact CB-CB 4.27Å; F42-K54 HydrophobicContact CE1-CD 4.24Å; F42-K54 VanDerWaalsContact CE1-CE 3.5Å; F42-K54 HydrophobicContact CE1-CG 4.14Å; F42-K54 HydrophobicContact CZ-CG 4.09Å; Q50-K54 WeakPolarHBondContact O-CB 3.36Å; Q50-K54 PolarHBondContact O-N 2.96Å; Q52-K54 VanDerWaalsContact C-N 3.33Å; Q52-K54 PolarHBondContact O-N 3.3Å; K54-V57 PolarHBondContact O-N 2.84Å; K54-W58 WeakPolarHBondContact O-CB 3.34Å; K54-W58 PolarHBondContact O-N 2.9Å
55G95.1Very high93.6Very high27 Ų2768.5 Ų68.528%0.27837%0.367SS..Hα-helixtrans-60.9-43.9174.600000113.1S51 Q52 I53 W58 R59S51-G55 PolarHBondContact O-N 3.39Å; Q52-G55 PolarHBondContact O-N 3.46Å; Q52-G55 VanDerWaalsContact O-N 3.13Å; I53-G55 VanDerWaalsContact C-N 3.29Å; I53-G55 PolarHBondContact O-N 3.4Å; G55-W58 PolarHBondContact O-N 3.35Å; G55-R59 VanDerWaalsContact O-CG 3.26Å; G55-R59 WeakPolarHBondContact O-CG 3.46Å; G55-R59 PolarHBondContact O-N 3.5Å
56Y95.8Very high94.1Very high36 Ų3669 Ų6914%0.14136%0.358CS..Hα-helixtrans-67-43176.6-75.3-64.1000112.5L12 R16 Y19 Q52 I53 W58 R59 S60L12-Y56 HydrophobicContact CD1-CD2 4.13Å; L12-Y56 HydrophobicContact CD1-CE2 3.99Å; R16-Y56 HydrophobicContact CG-CE1 4.46Å; R16-Y56 PolarHBondContact NE-OH 3.37Å; R16-Y56 PolarHBondContact NH2-OH 3.01Å; Y19-Y56 AromaticContact CD1-CD1 3.6Å; Y19-Y56 HydrophobicContact CD1-CD1 3.6Å; Y19-Y56 AromaticContact CD1-CE1 3.75Å; Y19-Y56 HydrophobicContact CD1-CE1 3.75Å; Y19-Y56 HydrophobicContact CE1-CD1 4.13Å; Y19-Y56 HydrophobicContact CE1-CE1 4.14Å; Y19-Y56 AromaticContact CG-CD1 3.85Å; Y19-Y56 HydrophobicContact CG-CD1 3.85Å; Y19-Y56 HydrophobicContact CG-CE1 4.44Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.12Å; Q52-Y56 PolarHBondContact O-N 2.92Å; I53-Y56 PolarHBondContact O-N 3.44Å; I53-Y56 VanDerWaalsContact O-N 3.14Å; Y56-W58 VanDerWaalsContact C-N 3.33Å; Y56-W58 PolarHBondContact O-N 3.27Å; Y56-R59 PolarHBondContact O-N 3.01Å; Y56-S60 WeakPolarHBondContact O-CB 3.3Å; Y56-S60 PolarHBondContact O-N 3.24Å; Y56-S60 PolarHBondContact O-OG 3.12Å
57V96Very high94.7Very high4 Ų466.8 Ų66.82%0.02433%0.329CS..Hα-helixtrans-59.8-44.6175.9170.50000110.7I34 F37 A41 F42 I53 K54 S60 A61I34-V57 HydrophobicContact CG1-CG1 4.49Å; I34-V57 HydrophobicContact CG2-CG1 4.26Å; F37-V57 HydrophobicContact CB-CG2 3.71Å; A41-V57 HydrophobicContact CB-CG2 4.25Å; F42-V57 HydrophobicContact CE2-CG1 4.13Å; I53-V57 HydrophobicContact CG2-CG2 4.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.4Å; K54-V57 PolarHBondContact O-N 2.84Å; V57-S60 PolarHBondContact O-N 2.96Å; V57-A61 PolarHBondContact O-N 3.39Å
58W96.6Very high95.1Very high173 Ų17367.3 Ų67.366%0.65534%0.336SS*.Hα-helixtrans-63.1-46176.8-178.1-108.2000112.5K54 G55 Y56 S60 A61 V62K54-W58 WeakPolarHBondContact O-CB 3.34Å; K54-W58 PolarHBondContact O-N 2.9Å; G55-W58 PolarHBondContact O-N 3.35Å; Y56-W58 VanDerWaalsContact C-N 3.33Å; Y56-W58 PolarHBondContact O-N 3.27Å; W58-S60 VanDerWaalsContact C-N 3.34Å; W58-S60 PolarHBondContact O-N 3.02Å; W58-A61 WeakPolarHBondContact O-CB 3.35Å; W58-A61 PolarHBondContact O-N 3.45Å; W58-A61 VanDerWaalsContact O-N 3.12Å; W58-V62 HydrophobicContact CZ2-CG2 4.49Å; W58-V62 WeakPolarHBondContact O-CG2 3.2Å; W58-V62 PolarHBondContact O-N 3.43Å
59R96.1Very high95.6Very high145 Ų14564.5 Ų64.555%0.54732%0.319SS..Hα-helixtrans-63.8-38.9177-69.9172-171-178.23.4112Y19 G55 Y56 A61 V62 G63Y19-R59 HydrophobicContact CD2-CB 4.46Å; Y19-R59 HydrophobicContact CE2-CB 3.71Å; G55-R59 VanDerWaalsContact O-CG 3.26Å; G55-R59 WeakPolarHBondContact O-CG 3.46Å; G55-R59 PolarHBondContact O-N 3.5Å; Y56-R59 PolarHBondContact O-N 3.01Å; R59-A61 VanDerWaalsContact C-N 3.33Å; R59-V62 PolarHBondContact O-N 3.07Å; R59-G63 PolarHBondContact O-N 3.22Å
60S95.9Very high96Very high0 Ų066 Ų660%033%0.329CS..Hα-helixtrans-60.9-40.3171.3-80.30000111.8Y19 N33 Y56 V57 W58 G63 F64Y19-S60 WeakPolarHBondContact CD2-OG 3.47Å; N33-S60 PolarHBondContact ND2-OG 3.15Å; Y56-S60 WeakPolarHBondContact O-CB 3.3Å; Y56-S60 PolarHBondContact O-N 3.24Å; Y56-S60 PolarHBondContact O-OG 3.12Å; V57-S60 PolarHBondContact O-N 2.96Å; W58-S60 VanDerWaalsContact C-N 3.34Å; W58-S60 PolarHBondContact O-N 3.02Å; S60-G63 PolarHBondContact O-N 3.45Å; S60-F64 WeakPolarHBondContact O-CB 3.2Å; S60-F64 PolarHBondContact O-N 2.94Å
61A96.9Very high96.3Very high30 Ų3068 Ų6825%0.24834%0.341CS..Hα-helixtrans-64.7-43.9177.200000112.4I34 V57 W58 R59 F64 F65I34-A61 VanDerWaalsContact CD1-CA 3.42Å; I34-A61 HydrophobicContact CD1-CB 3.83Å; I34-A61 HydrophobicContact CG1-CB 4.27Å; V57-A61 PolarHBondContact O-N 3.39Å; W58-A61 WeakPolarHBondContact O-CB 3.35Å; W58-A61 PolarHBondContact O-N 3.45Å; W58-A61 VanDerWaalsContact O-N 3.12Å; R59-A61 VanDerWaalsContact C-N 3.33Å; A61-F64 PolarHBondContact O-N 2.92Å; A61-F65 WeakPolarHBondContact O-CB 3.42Å; A61-F65 PolarHBondContact O-N 3.31Å
62V97.9Very high96.6Very high78 Ų7866.6 Ų66.647%0.47333%0.329SS..Hα-helixtrans-61.6-45.8174.5174.80000110.9W58 R59 F64 F65 F66W58-V62 HydrophobicContact CZ2-CG2 4.49Å; W58-V62 WeakPolarHBondContact O-CG2 3.2Å; W58-V62 PolarHBondContact O-N 3.43Å; R59-V62 PolarHBondContact O-N 3.07Å; V62-F64 PolarHBondContact O-N 3.42Å; V62-F65 PolarHBondContact O-N 3.24Å; V62-F66 WeakPolarHBondContact O-CB 3.41Å; V62-F66 PolarHBondContact O-N 3.39Å
63G95.3Very high96.8Very high14 Ų1465.4 Ų65.414%0.14433%0.328CS..Hα-helixtrans-61.7-43.2176.900000112.7W30 R59 S60 F66 W67W30-G63 VanDerWaalsContact CZ3-CA 3.44Å; W30-G63 WeakPolarHBondContact CZ3-O 3.3Å; R59-G63 PolarHBondContact O-N 3.22Å; S60-G63 PolarHBondContact O-N 3.45Å; G63-F66 WeakPolarHBondContact O-CB 3.46Å; G63-F66 PolarHBondContact O-N 3.42Å; G63-W67 VanDerWaalsContact O-CD1 3.3Å; G63-W67 PolarHBondContact O-N 3.38Å; G63-W67 VanDerWaalsContact O-N 3.12Å
64F97.7Very high97Very high55 Ų5571.7 Ų71.724%0.24135%0.352CS..Hα-helixtrans-61.8-47.4175.7175-104000111.4P27 W30 L31 I34 S60 A61 V62 F66 W67 V68P27-F64 HydrophobicContact CB-CD2 4.08Å; P27-F64 VanDerWaalsContact O-CD2 3.3Å; P27-F64 WeakPolarHBondContact O-CD2 3.28Å; W30-F64 HydrophobicContact CB-CB 4.27Å; L31-F64 HydrophobicContact CB-CD2 4.06Å; L31-F64 HydrophobicContact CB-CE2 3.95Å; L31-F64 HydrophobicContact CB-CZ 4.47Å; L31-F64 HydrophobicContact CD1-CD1 4.17Å; L31-F64 HydrophobicContact CD1-CD2 4.43Å; L31-F64 HydrophobicContact CD1-CE1 3.83Å; L31-F64 HydrophobicContact CD1-CE2 4.11Å; L31-F64 HydrophobicContact CD1-CG 4.45Å; L31-F64 HydrophobicContact CD1-CZ 3.79Å; L31-F64 HydrophobicContact CD2-CE2 4.09Å; L31-F64 HydrophobicContact CD2-CZ 4.03Å; L31-F64 HydrophobicContact CG-CE2 4.27Å; L31-F64 HydrophobicContact CG-CZ 4.32Å; I34-F64 HydrophobicContact CD1-CB 4.26Å; S60-F64 WeakPolarHBondContact O-CB 3.2Å; S60-F64 PolarHBondContact O-N 2.94Å; A61-F64 PolarHBondContact O-N 2.92Å; V62-F64 PolarHBondContact O-N 3.42Å; F64-F66 VanDerWaalsContact C-N 3.32Å; F64-F66 PolarHBondContact O-N 3.41Å; F64-W67 PolarHBondContact O-N 2.84Å; F64-W67 VanDerWaalsContact O-N 3.14Å; F64-V68 HydrophobicContact CD1-CG2 4.19Å; F64-V68 HydrophobicContact CE1-CG2 3.7Å; F64-V68 HydrophobicContact CE2-CG2 4.11Å; F64-V68 HydrophobicContact CZ-CG2 3.66Å; F64-V68 WeakPolarHBondContact O-CG2 3.37Å; F64-V68 PolarHBondContact O-N 2.95Å
65F98.1Very high97.2Very high138 Ų13871.1 Ų71.161%0.60535%0.353SS*.Hα-helixtrans-60.7-41.8178.3-176.9-102.4000112A61 V62 W67 V68 V69A61-F65 WeakPolarHBondContact O-CB 3.42Å; A61-F65 PolarHBondContact O-N 3.31Å; V62-F65 PolarHBondContact O-N 3.24Å; F65-W67 VanDerWaalsContact C-N 3.34Å; F65-W67 PolarHBondContact O-N 3.36Å; F65-V68 PolarHBondContact O-N 3.48Å; F65-V69 HydrophobicContact CD1-CG2 4.27Å; F65-V69 HydrophobicContact CE1-CG2 3.82Å; F65-V69 HydrophobicContact CE2-CG2 4.44Å; F65-V69 HydrophobicContact CZ-CG2 3.92Å; F65-V69 WeakPolarHBondContact O-CG2 3.27Å; F65-V69 PolarHBondContact O-N 2.99Å
66F97.7Very high97.3Very high123 Ų12373.5 Ų73.554%0.53936%0.362SS..Hα-helixtrans-55.6-47.1173.1171.5-96.2000111.8V62 G63 F64 V68 V69 V70V62-F66 WeakPolarHBondContact O-CB 3.41Å; V62-F66 PolarHBondContact O-N 3.39Å; G63-F66 WeakPolarHBondContact O-CB 3.46Å; G63-F66 PolarHBondContact O-N 3.42Å; F64-F66 VanDerWaalsContact C-N 3.32Å; F64-F66 PolarHBondContact O-N 3.41Å; F66-V68 PolarHBondContact O-N 3.28Å; F66-V69 PolarHBondContact O-N 3.47Å; F66-V70 HydrophobicContact CD1-CG2 4.33Å; F66-V70 HydrophobicContact CD2-CG2 4.37Å; F66-V70 HydrophobicContact CE1-CG2 3.88Å; F66-V70 HydrophobicContact CE2-CG2 3.94Å; F66-V70 HydrophobicContact CZ-CG2 3.67Å; F66-V70 WeakPolarHBondContact O-CG2 3.26Å; F66-V70 PolarHBondContact O-N 3.14Å
67W97.6Very high97.4Very high50 Ų5074.9 Ų74.919%0.18937%0.371CS..Hα-helixtrans-64-38.5176-83.5107.5000113.5F25 P27 W30 G63 F64 F65 V69 V70 L71F25-W67 AromaticContact CD1-CH2 3.38Å; F25-W67 HydrophobicContact CD1-CH2 3.38Å; F25-W67 AromaticContact CD1-CZ2 3.4Å; F25-W67 HydrophobicContact CD1-CZ2 3.4Å; F25-W67 VanDerWaalsContact CD1-CZ2 3.4Å; F25-W67 AromaticContact CE1-CH2 3.89Å; F25-W67 HydrophobicContact CE1-CH2 3.89Å; F25-W67 AromaticContact CE1-CZ2 3.98Å; F25-W67 HydrophobicContact CE1-CZ2 3.98Å; F25-W67 HydrophobicContact CG-CH2 4.36Å; F25-W67 HydrophobicContact CG-CZ2 4.48Å; P27-W67 HydrophobicContact CB-CB 3.61Å; P27-W67 HydrophobicContact CB-CG 3.75Å; P27-W67 HydrophobicContact CG-CB 4.15Å; P27-W67 HydrophobicContact CG-CG 4.16Å; W30-W67 AromaticContact CE3-CD1 3.84Å; W30-W67 AromaticContact CH2-NE1 3.96Å; W30-W67 AromaticContact CZ3-CD1 3.29Å; W30-W67 AromaticContact CZ3-NE1 3.41Å; G63-W67 VanDerWaalsContact O-CD1 3.3Å; G63-W67 PolarHBondContact O-N 3.38Å; G63-W67 VanDerWaalsContact O-N 3.12Å; F64-W67 PolarHBondContact O-N 2.84Å; F64-W67 VanDerWaalsContact O-N 3.14Å; F65-W67 VanDerWaalsContact C-N 3.34Å; F65-W67 PolarHBondContact O-N 3.36Å; W67-V69 VanDerWaalsContact C-N 3.32Å; W67-V69 PolarHBondContact O-N 3.18Å; W67-V70 PolarHBondContact O-N 2.71Å; W67-L71 HydrophobicContact CE3-CD1 4.42Å; W67-L71 HydrophobicContact CE3-CG 4.2Å; W67-L71 VanDerWaalsContact O-CB 3.27Å; W67-L71 WeakPolarHBondContact O-CB 3.48Å; W67-L71 VanDerWaalsContact O-CG 3.26Å; W67-L71 WeakPolarHBondContact O-CG 3.39Å; W67-L71 PolarHBondContact O-N 2.96Å
68V97.8Very high97.4Very high54 Ų5476.4 Ų76.433%0.32738%0.377SS..Hα-helixtrans-59.1-47175.3170.90000110F64 F65 F66 T72F64-V68 HydrophobicContact CD1-CG2 4.19Å; F64-V68 HydrophobicContact CE1-CG2 3.7Å; F64-V68 HydrophobicContact CE2-CG2 4.11Å; F64-V68 HydrophobicContact CZ-CG2 3.66Å; F64-V68 WeakPolarHBondContact O-CG2 3.37Å; F64-V68 PolarHBondContact O-N 2.95Å; F65-V68 PolarHBondContact O-N 3.48Å; F66-V68 PolarHBondContact O-N 3.28Å; V68-T72 HydrophobicContact CG1-CG2 4.23Å; V68-T72 VanDerWaalsContact O-CB 3.29Å; V68-T72 WeakPolarHBondContact O-CB 3.4Å; V68-T72 WeakPolarHBondContact O-CG2 3.43Å; V68-T72 PolarHBondContact O-N 3.05Å; V68-T72 PolarHBondContact O-OG1 3.31Å
69V98.3Very high97.2Very high63 Ų6374.8 Ų74.838%0.38238%0.377SS..Hα-helixtrans-62-47.3177.4173.80000111.5F65 F66 W67 T72 T73F65-V69 HydrophobicContact CD1-CG2 4.27Å; F65-V69 HydrophobicContact CE1-CG2 3.82Å; F65-V69 HydrophobicContact CE2-CG2 4.44Å; F65-V69 HydrophobicContact CZ-CG2 3.92Å; F65-V69 WeakPolarHBondContact O-CG2 3.27Å; F65-V69 PolarHBondContact O-N 2.99Å; F66-V69 PolarHBondContact O-N 3.47Å; W67-V69 VanDerWaalsContact C-N 3.32Å; W67-V69 PolarHBondContact O-N 3.18Å; V69-T72 WeakPolarHBondContact CA-OG1 3.45Å; V69-T72 PolarHBondContact O-OG1 2.95Å; V69-T72 VanDerWaalsContact O-OG1 3.05Å; V69-T73 VanDerWaalsContact O-CB 3.24Å; V69-T73 WeakPolarHBondContact O-CB 3.18Å; V69-T73 PolarHBondContact O-N 3.42Å; V69-T73 PolarHBondContact O-OG1 3.46Å
70V98.2Very high97.1Very high58 Ų5872.1 Ų72.135%0.35237%0.373SS..Hα-helixtrans-61.9-48.6179.7170.10000111.4F66 W67 T73 W74F66-V70 HydrophobicContact CD1-CG2 4.33Å; F66-V70 HydrophobicContact CD2-CG2 4.37Å; F66-V70 HydrophobicContact CE1-CG2 3.88Å; F66-V70 HydrophobicContact CE2-CG2 3.94Å; F66-V70 HydrophobicContact CZ-CG2 3.67Å; F66-V70 WeakPolarHBondContact O-CG2 3.26Å; F66-V70 PolarHBondContact O-N 3.14Å; W67-V70 PolarHBondContact O-N 2.71Å; V70-T73 PolarHBondContact O-N 2.86Å; V70-W74 WeakPolarHBondContact O-CB 3.2Å; V70-W74 PolarHBondContact O-N 3.46Å
71L97.8Very high97.1Very high76 Ų7676.9 Ų76.940%0.39839%0.392SS..Hα-helixtrans-68.4-43-177.6-70.5172.7000112W67 W74 I75W67-L71 HydrophobicContact CE3-CD1 4.42Å; W67-L71 HydrophobicContact CE3-CG 4.2Å; W67-L71 VanDerWaalsContact O-CB 3.27Å; W67-L71 WeakPolarHBondContact O-CB 3.48Å; W67-L71 VanDerWaalsContact O-CG 3.26Å; W67-L71 WeakPolarHBondContact O-CG 3.39Å; W67-L71 PolarHBondContact O-N 2.96Å; L71-W74 PolarHBondContact O-N 3.34Å; L71-I75 WeakPolarHBondContact O-CB 3.24Å; L71-I75 WeakPolarHBondContact O-CD1 3.41Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 2.9Å
72T98.1Very high96.9Very high71 Ų7176.4 Ų76.444%0.43638%0.383SS..Hα-helixtrans-62.7-44.4176.350.90000111.1V68 V69 W74 I75 T76V68-T72 HydrophobicContact CG1-CG2 4.23Å; V68-T72 VanDerWaalsContact O-CB 3.29Å; V68-T72 WeakPolarHBondContact O-CB 3.4Å; V68-T72 WeakPolarHBondContact O-CG2 3.43Å; V68-T72 PolarHBondContact O-N 3.05Å; V68-T72 PolarHBondContact O-OG1 3.31Å; V69-T72 WeakPolarHBondContact CA-OG1 3.45Å; V69-T72 PolarHBondContact O-OG1 2.95Å; V69-T72 VanDerWaalsContact O-OG1 3.05Å; T72-W74 PolarHBondContact O-N 2.92Å; T72-I75 PolarHBondContact O-N 2.65Å; T72-T76 WeakPolarHBondContact O-CB 3.39Å; T72-T76 PolarHBondContact O-N 3.38Å; T72-T76 PolarHBondContact O-OG1 2.86Å; T72-T76 VanDerWaalsContact O-OG1 3.05Å
73T98.4Very high96.6Very high73 Ų7375.8 Ų75.845%0.44838%0.381SS..Hα-helixtrans-58.6-48175.2-58.60000111.2V69 V70 T76 I77V69-T73 VanDerWaalsContact O-CB 3.24Å; V69-T73 WeakPolarHBondContact O-CB 3.18Å; V69-T73 PolarHBondContact O-N 3.42Å; V69-T73 PolarHBondContact O-OG1 3.46Å; V70-T73 PolarHBondContact O-N 2.86Å; T73-T76 PolarHBondContact O-N 2.85Å; T73-I77 HydrophobicContact CG2-CD1 3.92Å; T73-I77 WeakPolarHBondContact O-CG1 3.33Å; T73-I77 PolarHBondContact O-N 3.3Å
74W98Very high96.5Very high133 Ų13384 Ų8450%0.50441%0.408SS..Hα-helixtrans-60.5-46.6177.8174.9-111.4000112.2V70 L71 T72 T76 I77 F78 W85V70-W74 WeakPolarHBondContact O-CB 3.2Å; V70-W74 PolarHBondContact O-N 3.46Å; L71-W74 PolarHBondContact O-N 3.34Å; T72-W74 PolarHBondContact O-N 2.92Å; W74-T76 VanDerWaalsContact C-N 3.35Å; W74-T76 PolarHBondContact O-N 2.93Å; W74-I77 PolarHBondContact O-N 3.33Å; W74-F78 HydrophobicContact CZ2-CD2 4.31Å; W74-F78 WeakPolarHBondContact O-CB 3.29Å; W74-F78 PolarHBondContact O-N 3.45Å; W74-W85 HydrophobicContact CH2-CH2 4.05Å; W74-W85 HydrophobicContact CH2-CZ3 4.24Å; W74-W85 HydrophobicContact CZ3-CH2 4.21Å
75I97.3Very high96.2Very high93 Ų9385.4 Ų85.448%0.47741%0.411SS..Hα-helixtrans-60.1-46177.7-69.8164000110.2L71 T72 I77 F78 Q79L71-I75 WeakPolarHBondContact O-CB 3.24Å; L71-I75 WeakPolarHBondContact O-CD1 3.41Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 2.9Å; T72-I75 PolarHBondContact O-N 2.65Å; I75-I77 PolarHBondContact O-N 3.34Å; I75-F78 PolarHBondContact O-N 3.28Å; I75-Q79 HydrophobicContact CG2-CG 4.16Å; I75-Q79 WeakPolarHBondContact O-CB 3.41Å; I75-Q79 WeakPolarHBondContact O-CG 3.21Å; I75-Q79 PolarHBondContact O-N 3.49Å
76T97.8Very high95.9Very high77 Ų7780.6 Ų80.647%0.47240%0.401SS..Hα-helixtrans-61.7-44.7178-62.10000111.8T72 T73 W74 Q79 I80T72-T76 WeakPolarHBondContact O-CB 3.39Å; T72-T76 PolarHBondContact O-N 3.38Å; T72-T76 PolarHBondContact O-OG1 2.86Å; T72-T76 VanDerWaalsContact O-OG1 3.05Å; T73-T76 PolarHBondContact O-N 2.85Å; W74-T76 VanDerWaalsContact C-N 3.35Å; W74-T76 PolarHBondContact O-N 2.93Å; T76-Q79 PolarHBondContact O-N 3.05Å; T76-I80 HydrophobicContact CG2-CD1 3.66Å; T76-I80 HydrophobicContact CG2-CG1 4.5Å; T76-I80 WeakPolarHBondContact O-CB 3.03Å; T76-I80 VanDerWaalsContact O-CG1 3.29Å; T76-I80 WeakPolarHBondContact O-CG1 3.35Å; T76-I80 PolarHBondContact O-N 3.44Å
77I97.4Very high95.7Very high64 Ų6477.8 Ų77.833%0.32840%0.4SS..Hα-helixtrans-59.9-48.3175.3-70.7169.2000110.1T73 W74 I75 Q79 I80 Y81 W85T73-I77 HydrophobicContact CG2-CD1 3.92Å; T73-I77 WeakPolarHBondContact O-CG1 3.33Å; T73-I77 PolarHBondContact O-N 3.3Å; W74-I77 PolarHBondContact O-N 3.33Å; I75-I77 PolarHBondContact O-N 3.34Å; I77-Q79 PolarHBondContact O-N 3.47Å; I77-I80 PolarHBondContact O-N 3.43Å; I77-Y81 HydrophobicContact CB-CD2 4.47Å; I77-Y81 HydrophobicContact CG2-CD2 4.01Å; I77-Y81 WeakPolarHBondContact O-CB 3.21Å; I77-Y81 WeakPolarHBondContact O-CD2 3.41Å; I77-Y81 PolarHBondContact O-N 2.85Å; I77-W85 HydrophobicContact CG2-CH2 3.93Å; I77-W85 HydrophobicContact CG2-CZ2 3.72Å
78F95.5Very high95.5Very high36 Ų3681.1 Ų81.116%0.15842%0.421CS..Hα-helixtrans-60.2-47.9-180-168.7-96.5000111.2W74 I75 I80 R82 W85 L92 S93W74-F78 HydrophobicContact CZ2-CD2 4.31Å; W74-F78 WeakPolarHBondContact O-CB 3.29Å; W74-F78 PolarHBondContact O-N 3.45Å; I75-F78 PolarHBondContact O-N 3.28Å; F78-I80 VanDerWaalsContact C-N 3.34Å; F78-I80 PolarHBondContact O-N 2.88Å; F78-R82 HydrophobicContact CD1-CB 4.44Å; F78-R82 HydrophobicContact CE1-CB 4.34Å; F78-R82 HydrophobicContact CE1-CG 4.15Å; F78-R82 HydrophobicContact CE2-CG 4.43Å; F78-R82 HydrophobicContact CZ-CB 4.39Å; F78-R82 HydrophobicContact CZ-CG 3.98Å; F78-R82 WeakPolarHBondContact O-CA 3.39Å; F78-R82 WeakPolarHBondContact O-CB 3.29Å; F78-R82 PolarHBondContact O-N 3.05Å; F78-W85 HydrophobicContact CD2-CH2 4.42Å; F78-W85 AromaticContact CD2-CZ3 3.77Å; F78-W85 HydrophobicContact CD2-CZ3 3.77Å; F78-W85 HydrophobicContact CE2-CZ3 4.22Å; F78-L92 HydrophobicContact CE2-CB 3.99Å; F78-S93 WeakPolarHBondContact CZ-OG 3.49Å
79Q93.9Very high95.2Very high139 Ų13978.5 Ų78.565%0.6541%0.406SS*.Hα-helixtrans-62.2-38180-69.6-66.4-2700113I75 T76 I77I75-Q79 HydrophobicContact CG2-CG 4.16Å; I75-Q79 WeakPolarHBondContact O-CB 3.41Å; I75-Q79 WeakPolarHBondContact O-CG 3.21Å; I75-Q79 PolarHBondContact O-N 3.49Å; T76-Q79 PolarHBondContact O-N 3.05Å; I77-Q79 PolarHBondContact O-N 3.47Å
80I94Very high94.8Very high90 Ų9079.3 Ų79.346%0.46241%0.408SS..Hα-helixtrans-80.3-43.3-178.2-65.8170.6000112T76 I77 F78T76-I80 HydrophobicContact CG2-CD1 3.66Å; T76-I80 HydrophobicContact CG2-CG1 4.5Å; T76-I80 WeakPolarHBondContact O-CB 3.03Å; T76-I80 VanDerWaalsContact O-CG1 3.29Å; T76-I80 WeakPolarHBondContact O-CG1 3.35Å; T76-I80 PolarHBondContact O-N 3.44Å; I77-I80 PolarHBondContact O-N 3.43Å; F78-I80 VanDerWaalsContact C-N 3.34Å; F78-I80 PolarHBondContact O-N 2.88Å
81Y95.1Very high94.7Very high100 Ų10086 Ų8639%0.39243%0.428SS..Hα-helixtrans-103.6-12.7-167.1-63.5-81.8000114.3I77 P83 R84 W85I77-Y81 HydrophobicContact CB-CD2 4.47Å; I77-Y81 HydrophobicContact CG2-CD2 4.01Å; I77-Y81 WeakPolarHBondContact O-CB 3.21Å; I77-Y81 WeakPolarHBondContact O-CD2 3.41Å; I77-Y81 PolarHBondContact O-N 2.85Å; Y81-P83 VanDerWaalsContact C-CD 3.46Å; Y81-P83 VanDerWaalsContact C-N 3.35Å; Y81-R84 VanDerWaalsContact CE1-NH1 3.28Å; Y81-R84 WeakPolarHBondContact O-CA 3.44Å; Y81-R84 WeakPolarHBondContact O-CB 3.44Å; Y81-R84 PolarHBondContact O-N 3.38Å; Y81-W85 PolarHBondContact O-N 3.2Å
82R93.4Very high94.5Very high19 Ų1987.3 Ų87.37%0.07244%0.435CS..G310 helixtrans-47-48.4177.3176-147.980.482.51.7113F78 R84 W85 D90 S93 P101F78-R82 HydrophobicContact CD1-CB 4.44Å; F78-R82 HydrophobicContact CE1-CB 4.34Å; F78-R82 HydrophobicContact CE1-CG 4.15Å; F78-R82 HydrophobicContact CE2-CG 4.43Å; F78-R82 HydrophobicContact CZ-CB 4.39Å; F78-R82 HydrophobicContact CZ-CG 3.98Å; F78-R82 WeakPolarHBondContact O-CA 3.39Å; F78-R82 WeakPolarHBondContact O-CB 3.29Å; F78-R82 PolarHBondContact O-N 3.05Å; R82-R84 PolarHBondContact O-N 3.43Å; R82-W85 PolarHBondContact O-N 2.91Å; R82-W85 VanDerWaalsContact O-N 3.12Å; R82-D90 IonicContact NH1-OD1 3.34Å; R82-D90 PolarHBondContact NH1-OD1 3.36Å; R82-S93 WeakPolarHBondContact CD-OG 3.46Å; R82-P101 PolarHBondContact NH2-O 3.13Å; R82-P101 VanDerWaalsContact NH2-O 3.15Å
83P90.4Very high94.3Very high66 Ų6684.8 Ų84.843%0.42942%0.42SS..G310 helixtrans-63.7-25.6180-2032.6000113.4Y81Y81-P83 VanDerWaalsContact C-CD 3.46Å; Y81-P83 VanDerWaalsContact C-N 3.35Å
84R93.1Very high94.1Very high185 Ų18591 Ų9170%0.69844%0.441SS*.G310 helixtrans-82.7-17.3179.9-58.5-179-176.4168.81.7112.8Y81 R82 G86Y81-R84 VanDerWaalsContact CE1-NH1 3.28Å; Y81-R84 WeakPolarHBondContact O-CA 3.44Å; Y81-R84 WeakPolarHBondContact O-CB 3.44Å; Y81-R84 PolarHBondContact O-N 3.38Å; R82-R84 PolarHBondContact O-N 3.43Å; R84-G86 VanDerWaalsContact C-N 3.29Å
85W93.1Very high93.7Very high85 Ų8589.9 Ų89.932%0.32245%0.449SS..G310 helixtrans-82.2-7.6-178.8-63.2-10.5000113.2W74 I77 F78 Y81 R82 A87 L88 L92W74-W85 HydrophobicContact CH2-CH2 4.05Å; W74-W85 HydrophobicContact CH2-CZ3 4.24Å; W74-W85 HydrophobicContact CZ3-CH2 4.21Å; I77-W85 HydrophobicContact CG2-CH2 3.93Å; I77-W85 HydrophobicContact CG2-CZ2 3.72Å; F78-W85 HydrophobicContact CD2-CH2 4.42Å; F78-W85 AromaticContact CD2-CZ3 3.77Å; F78-W85 HydrophobicContact CD2-CZ3 3.77Å; F78-W85 HydrophobicContact CE2-CZ3 4.22Å; Y81-W85 PolarHBondContact O-N 3.2Å; R82-W85 PolarHBondContact O-N 2.91Å; R82-W85 VanDerWaalsContact O-N 3.12Å; W85-A87 PolarHBondContact O-N 3.46Å; W85-L88 HydrophobicContact CB-CB 4.45Å; W85-L88 PolarHBondContact O-N 3.26Å; W85-L92 HydrophobicContact CE3-CD1 4.39Å; W85-L92 HydrophobicContact CZ3-CD1 4.34Å
86G91.6Very high93.3Very high38 Ų3889.7 Ų89.739%0.39245%0.448SS..THydrogen-bonded Turntrans57-132.5-179.800000111.6R84 L88 G89 D90R84-G86 VanDerWaalsContact C-N 3.29Å; G86-L88 PolarHBondContact O-N 3.14Å; G86-L88 VanDerWaalsContact O-N 3.13Å; G86-G89 WeakPolarHBondContact O-CA 2.95Å; G86-G89 PolarHBondContact O-N 3.48Å; G86-D90 PolarHBondContact O-N 3.45Å
87A92.9Very high92.8Very high63 Ų6388.7 Ų88.752%0.52144%0.443SS..Hα-helixtrans-54.4-36.3-177.200000113.7W85 G89 D90 Y91W85-A87 PolarHBondContact O-N 3.46Å; A87-G89 VanDerWaalsContact C-N 3.34Å; A87-G89 PolarHBondContact O-N 3.12Å; A87-D90 PolarHBondContact O-N 3.06Å; A87-Y91 HydrophobicContact CB-CD2 4.4Å; A87-Y91 HydrophobicContact CB-CE2 4.26Å; A87-Y91 WeakPolarHBondContact O-CD2 3.4Å; A87-Y91 PolarHBondContact O-N 2.91Å
88L92.8Very high91.9Very high120 Ų12094.5 Ų94.563%0.62847%0.474SS*.Hα-helixtrans-63.9-40176.2-74.7172.5000111.9W85 G86 D90 Y91 L92W85-L88 HydrophobicContact CB-CB 4.45Å; W85-L88 PolarHBondContact O-N 3.26Å; G86-L88 PolarHBondContact O-N 3.14Å; G86-L88 VanDerWaalsContact O-N 3.13Å; L88-D90 VanDerWaalsContact C-N 3.28Å; L88-D90 PolarHBondContact O-N 2.63Å; L88-Y91 PolarHBondContact O-N 3.17Å; L88-L92 WeakPolarHBondContact O-CB 3.38Å; L88-L92 WeakPolarHBondContact O-CD1 3.43Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 3.23Å
89G91.5Very high90.9Very high0 Ų096.5 Ų96.50%050%0.504CS..Hα-helixtrans-61.7-39.3175.500000111.7G86 A87 S93G86-G89 WeakPolarHBondContact O-CA 2.95Å; G86-G89 PolarHBondContact O-N 3.48Å; A87-G89 VanDerWaalsContact C-N 3.34Å; A87-G89 PolarHBondContact O-N 3.12Å; G89-S93 WeakPolarHBondContact O-CB 3.47Å; G89-S93 PolarHBondContact O-N 2.87Å; G89-S93 VanDerWaalsContact O-N 3.17Å; G89-S93 PolarHBondContact O-OG 3.19Å
90D91.4Very high89.5Confident79 Ų7993.8 Ų93.842%0.42250%0.497SS..Hα-helixtrans-72.1-42.6178.1-63-25.9000112.1R82 G86 A87 L88 L92 S93R82-D90 IonicContact NH1-OD1 3.34Å; R82-D90 PolarHBondContact NH1-OD1 3.36Å; G86-D90 PolarHBondContact O-N 3.45Å; A87-D90 PolarHBondContact O-N 3.06Å; L88-D90 VanDerWaalsContact C-N 3.28Å; L88-D90 PolarHBondContact O-N 2.63Å; D90-L92 VanDerWaalsContact C-N 3.31Å; D90-L92 PolarHBondContact O-N 3.15Å; D90-S93 WeakPolarHBondContact O-CB 3.47Å; D90-S93 PolarHBondContact O-N 2.91Å; D90-S93 VanDerWaalsContact O-N 3.14Å
91Y94.3Very high88Confident200 Ų20096.7 Ų96.778%0.78452%0.522SS*.Hα-helixtrans-62.7-35.3176.1-79.7-61.5000113.4A87 L88 S93A87-Y91 HydrophobicContact CB-CD2 4.4Å; A87-Y91 HydrophobicContact CB-CE2 4.26Å; A87-Y91 WeakPolarHBondContact O-CD2 3.4Å; A87-Y91 PolarHBondContact O-N 2.91Å; L88-Y91 PolarHBondContact O-N 3.17Å; Y91-S93 VanDerWaalsContact C-N 3.32Å
92L94.5Very high87.7Confident103 Ų10396.6 Ų96.654%0.53953%0.529SS..THydrogen-bonded Turntrans-82.5-11.3178.2-65.8167.7000112.6F78 W85 L88 D90 F94F78-L92 HydrophobicContact CE2-CB 3.99Å; W85-L92 HydrophobicContact CE3-CD1 4.39Å; W85-L92 HydrophobicContact CZ3-CD1 4.34Å; L88-L92 WeakPolarHBondContact O-CB 3.38Å; L88-L92 WeakPolarHBondContact O-CD1 3.43Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 3.23Å; D90-L92 VanDerWaalsContact C-N 3.31Å; D90-L92 PolarHBondContact O-N 3.15Å; L92-F94 PolarHBondContact O-N 3.34Å
93S93.6Very high87.4Confident17 Ų17100.6 Ų100.612%0.11955%0.553CS.*  trans-82.8112.3179.9-67.60000110.7F78 R82 G89 D90 Y91F78-S93 WeakPolarHBondContact CZ-OG 3.49Å; R82-S93 WeakPolarHBondContact CD-OG 3.46Å; G89-S93 WeakPolarHBondContact O-CB 3.47Å; G89-S93 PolarHBondContact O-N 2.87Å; G89-S93 VanDerWaalsContact O-N 3.17Å; G89-S93 PolarHBondContact O-OG 3.19Å; D90-S93 WeakPolarHBondContact O-CB 3.47Å; D90-S93 PolarHBondContact O-N 2.91Å; D90-S93 VanDerWaalsContact O-N 3.14Å; Y91-S93 VanDerWaalsContact C-N 3.32Å
94F93.6Very high87.2Confident205 Ų205102.6 Ų102.690%0.89956%0.56SS**SBendtrans-69.9-38.4168.9178.8-103000112L92L92-F94 PolarHBondContact O-N 3.34Å
95T91.2Very high86.8Confident108 Ų10897.7 Ų97.766%0.66355%0.551SS**SBendtrans-125.4115177.5-53.50000109.1
96I88.6Confident86.4Confident89 Ų8998.5 Ų98.546%0.45657%0.566SS.*  trans-92.4123.1176.7-59.4172.7000108.6L98I96-L98 PolarHBondContact O-N 3.37Å
97P86.6Confident86.1Confident57 Ų57102.5 Ų102.537%0.3758%0.577SS.*  trans-68.7123.9175.927.6-33.4000110.6G99 T100P97-G99 PolarHBondContact O-N 3.22Å; P97-T100 WeakPolarHBondContact CB-OG1 3.06Å; P97-T100 WeakPolarHBondContact CG-OG1 3.32Å
98L78.9Confident85.6Confident186 Ų186105.4 Ų105.497%0.97458%0.581SS**THydrogen-bonded Turntrans-70.2-13.8-174.9-65.3168.3000114.3I96I96-L98 PolarHBondContact O-N 3.37Å
99G75.3Confident85.1Confident77 Ų77104.2 Ų104.279%0.79458%0.578SS**THydrogen-bonded Turntrans-117.51.2-171.600000115.9P97P97-G99 PolarHBondContact O-N 3.22Å
100T64.3Low84.5Confident82 Ų82112.9 Ų112.950%0.50363%0.626SS.*  trans-123130.3177480000109.7P97P97-T100 WeakPolarHBondContact CB-OG1 3.06Å; P97-T100 WeakPolarHBondContact CG-OG1 3.32Å
101P62.2Low83.9Confident152 Ų152116 Ų11699%0.98764%0.644SS**  trans-59.60177.126-32.7000112.5R82R82-P101 PolarHBondContact NH2-O 3.13Å; R82-P101 VanDerWaalsContact NH2-O 3.15Å

Retrieved 101 of 101 residues in 22.4 ms (Link to these results)

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