A0A087Y5J7_POEFO Loading...

Cyclin-dependent kinase 4 inhibitor D

Interacts strongly with CDK4 and CDK6 and inhibits them.

AlphaFold DB , UniProt , Accession A0A087Y5J7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 164 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
1M44.8Very low72.9Confident222 Ų22288.4 Ų88.4100%1.09447%0.469SS*.  01060-163171.378.300105.9L3M1-L3 PolarHBondContact O-N 3.43Å
2V53.7Low74.7Confident146 Ų14681 Ų8189%0.88543%0.43SS*.  trans-75.7115.3178.6-176.50000105.8S4V2-S4 PolarHBondContact O-N 3.34Å
3L59.1Low76.3Confident74 Ų7475.3 Ų75.339%0.38740%0.401SS..  trans-58.4135.3172.2-71.5170.1000107.8M1 D7M1-L3 PolarHBondContact O-N 3.43Å; L3-D7 HydrophobicContact CB-CB 4.28Å; L3-D7 HydrophobicContact CD2-CB 4.11Å
4S70.4Confident77.6Confident55 Ų5572.9 Ų72.939%0.38540%0.397SS..  trans-62153171.875.20000108.8V2 M6 D7 A8V2-S4 PolarHBondContact O-N 3.34Å; S4-M6 PolarHBondContact O-N 3.12Å; S4-M6 VanDerWaalsContact O-N 3.09Å; S4-D7 WeakPolarHBondContact CB-OD2 3.39Å; S4-D7 PolarHBondContact N-OD2 3.36Å; S4-D7 PolarHBondContact O-N 3.2Å; S4-D7 PolarHBondContact OG-N 2.61Å; S4-D7 PolarHBondContact OG-OD2 3.25Å; S4-A8 PolarHBondContact O-N 3.19Å
5Q61.8Low78.8Confident121 Ų12168.5 Ų68.557%0.56537%0.374SS*.Hα-helixtrans-54.1-31.9177.3-71.5-69.9-24.200111.9A8 G9Q5-A8 PolarHBondContact O-N 3.28Å; Q5-G9 PolarHBondContact O-N 3.34Å
6M65.2Low79.9Confident126 Ų12664.2 Ų64.262%0.62135%0.35SS*.Hα-helixtrans-71.3-38.7176.9-167.5169.1172.100112.8S4 A8 K10 E40S4-M6 PolarHBondContact O-N 3.12Å; S4-M6 VanDerWaalsContact O-N 3.09Å; M6-A8 VanDerWaalsContact C-N 3.31Å; M6-K10 WeakPolarHBondContact O-CB 3.44Å; M6-K10 PolarHBondContact O-N 3.04Å; M6-E40 HydrophobicContact CE-CB 4.09Å
7D83.7Confident80.7Confident83 Ų8363.1 Ų63.144%0.44435%0.351SS..Hα-helixtrans-67.1-36.2174.1-61.7-46.2000111.4L3 S4 A11L3-D7 HydrophobicContact CB-CB 4.28Å; L3-D7 HydrophobicContact CD2-CB 4.11Å; S4-D7 WeakPolarHBondContact CB-OD2 3.39Å; S4-D7 PolarHBondContact N-OD2 3.36Å; S4-D7 PolarHBondContact O-N 3.2Å; S4-D7 PolarHBondContact OG-N 2.61Å; S4-D7 PolarHBondContact OG-OD2 3.25Å; D7-A11 WeakPolarHBondContact O-CB 3.39Å; D7-A11 PolarHBondContact O-N 2.94Å
8A85.5Confident81.5Confident2 Ų268.6 Ų68.62%0.01737%0.371CS..Hα-helixtrans-72.3-41.8-179.800000112.7S4 Q5 M6 K10 A11 L12 V33S4-A8 PolarHBondContact O-N 3.19Å; Q5-A8 PolarHBondContact O-N 3.28Å; M6-A8 VanDerWaalsContact C-N 3.31Å; A8-K10 VanDerWaalsContact C-N 3.32Å; A8-K10 PolarHBondContact O-N 2.83Å; A8-A11 PolarHBondContact O-N 3.04Å; A8-L12 VanDerWaalsContact O-CB 3.3Å; A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 3.47Å; A8-V33 HydrophobicContact CB-CB 4.44Å; A8-V33 HydrophobicContact CB-CG1 3.48Å; A8-V33 VanDerWaalsContact CB-CG1 3.48Å
9G90.9Very high82.1Confident0 Ų065.6 Ų65.60%036%0.358CS..Hα-helixtrans-61-40.9173.200000112.3Q5 T13Q5-G9 PolarHBondContact O-N 3.34Å; G9-T13 WeakPolarHBondContact O-CB 3.35Å; G9-T13 VanDerWaalsContact O-CG2 3.31Å; G9-T13 WeakPolarHBondContact O-CG2 3.47Å; G9-T13 PolarHBondContact O-N 3.01Å; G9-T13 PolarHBondContact O-OG1 2.99Å
10K92.8Very high82.7Confident106 Ų10665.9 Ų65.946%0.46136%0.359SS..Hα-helixtrans-63.2-44.7173.5-178171.3-177.3147.30112.6M6 A8 T13 A14 E40M6-K10 WeakPolarHBondContact O-CB 3.44Å; M6-K10 PolarHBondContact O-N 3.04Å; A8-K10 VanDerWaalsContact C-N 3.32Å; A8-K10 PolarHBondContact O-N 2.83Å; K10-T13 WeakPolarHBondContact CA-OG1 3.23Å; K10-T13 PolarHBondContact O-OG1 2.95Å; K10-T13 VanDerWaalsContact O-OG1 3.06Å; K10-A14 VanDerWaalsContact O-CB 3.26Å; K10-A14 WeakPolarHBondContact O-CB 3.17Å; K10-A14 PolarHBondContact O-N 3.39Å; K10-E40 WeakPolarHBondContact CE-OE1 3.49Å; K10-E40 IonicContact NZ-OE1 3.22Å; K10-E40 PolarHBondContact NZ-OE1 3.42Å
11A93.6Very high83.3Confident37 Ų3763.7 Ų63.731%0.30635%0.35SS..Hα-helixtrans-64.7-44.8178.300000111.8D7 A8 A14 A15 I27D7-A11 WeakPolarHBondContact O-CB 3.39Å; D7-A11 PolarHBondContact O-N 2.94Å; A8-A11 PolarHBondContact O-N 3.04Å; A11-A14 PolarHBondContact O-N 3.05Å; A11-A15 WeakPolarHBondContact O-CB 3.34Å; A11-A15 PolarHBondContact O-N 3.38Å; A11-I27 HydrophobicContact CB-CD1 3.97Å
12L94.9Very high85.6Confident0 Ų059.3 Ų59.30%033%0.331CS..Hα-helixtrans-62.6-49.7-179.8-177.867.4000111.5A8 A14 A15 A16 V24 I27 L28 A45A8-L12 VanDerWaalsContact O-CB 3.3Å; A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 3.47Å; L12-A14 VanDerWaalsContact C-N 3.32Å; L12-A14 PolarHBondContact O-N 3.02Å; L12-A15 PolarHBondContact O-N 3.47Å; L12-A16 PolarHBondContact O-N 2.97Å; L12-V24 HydrophobicContact CD1-CG1 3.98Å; L12-I27 HydrophobicContact CB-CG2 4.05Å; L12-I27 HydrophobicContact CD1-CB 4.32Å; L12-I27 HydrophobicContact CD1-CG2 4.06Å; L12-L28 HydrophobicContact CD1-CD1 4.5Å; L12-L28 HydrophobicContact CD1-CD2 3.88Å; L12-L28 HydrophobicContact CD1-CG 3.9Å; L12-L28 HydrophobicContact CD2-CD2 3.96Å; L12-A45 HydrophobicContact CD2-CB 3.98Å; L12-A45 HydrophobicContact CG-CB 3.86Å
13T95Very high87.5Confident7 Ų755.1 Ų55.14%0.04330%0.302CS..Hα-helixtrans-62.3-38.9177.6500000112.1G9 K10 A16 A17 N39 A45 V48G9-T13 WeakPolarHBondContact O-CB 3.35Å; G9-T13 VanDerWaalsContact O-CG2 3.31Å; G9-T13 WeakPolarHBondContact O-CG2 3.47Å; G9-T13 PolarHBondContact O-N 3.01Å; G9-T13 PolarHBondContact O-OG1 2.99Å; K10-T13 WeakPolarHBondContact CA-OG1 3.23Å; K10-T13 PolarHBondContact O-OG1 2.95Å; K10-T13 VanDerWaalsContact O-OG1 3.06Å; T13-A16 PolarHBondContact O-N 2.94Å; T13-A17 WeakPolarHBondContact O-CB 3.23Å; T13-A17 PolarHBondContact O-N 3.09Å; T13-N39 HydrophobicContact CG2-CB 3.93Å; T13-N39 WeakPolarHBondContact OG1-CB 3.26Å; T13-A45 HydrophobicContact CG2-CB 4.44Å; T13-V48 HydrophobicContact CG2-CG2 4Å
14A94.9Very high89.3Confident42 Ų4251.6 Ų51.635%0.34728%0.284SS..Hα-helixtrans-66.8-37.4175.400000113K10 A11 L12 K18K10-A14 VanDerWaalsContact O-CB 3.26Å; K10-A14 WeakPolarHBondContact O-CB 3.17Å; K10-A14 PolarHBondContact O-N 3.39Å; A11-A14 PolarHBondContact O-N 3.05Å; L12-A14 VanDerWaalsContact C-N 3.32Å; L12-A14 PolarHBondContact O-N 3.02Å; A14-K18 VanDerWaalsContact O-CG 3.28Å; A14-K18 WeakPolarHBondContact O-CG 3.49Å; A14-K18 PolarHBondContact O-N 3.26Å
15A95.6Very high90.4Very high6 Ų652.9 Ų52.95%0.0528%0.283CS..Hα-helixtrans-66.5-43.7175.400000111.4A11 L12 K18 G19 N20 E23 V24 I27A11-A15 WeakPolarHBondContact O-CB 3.34Å; A11-A15 PolarHBondContact O-N 3.38Å; L12-A15 PolarHBondContact O-N 3.47Å; A15-K18 PolarHBondContact O-N 3.47Å; A15-G19 PolarHBondContact O-N 3.28Å; A15-N20 PolarHBondContact O-N 2.79Å; A15-E23 HydrophobicContact CB-CB 4.09Å; A15-E23 HydrophobicContact CB-CG 3.74Å; A15-V24 HydrophobicContact CB-CG2 3.74Å; A15-I27 HydrophobicContact CB-CD1 4.05Å
16A95.9Very high91.9Very high0 Ų052.2 Ų52.20%028%0.276CS..Hα-helixtrans-63-43.9176.700000112.3L12 T13 K18 G19 V24 A45 M49 M50 V56 L60L12-A16 PolarHBondContact O-N 2.97Å; T13-A16 PolarHBondContact O-N 2.94Å; A16-K18 PolarHBondContact O-N 3.28Å; A16-G19 PolarHBondContact O-N 3.1Å; A16-V24 HydrophobicContact CB-CG2 4.19Å; A16-A45 HydrophobicContact CB-CB 4.05Å; A16-M49 HydrophobicContact CB-CB 4.08Å; A16-M49 WeakPolarHBondContact O-CA 3.35Å; A16-M50 PolarHBondContact O-N 3.3Å; A16-M50 VanDerWaalsContact O-N 3.12Å; A16-V56 HydrophobicContact CB-CG1 3.97Å; A16-L60 HydrophobicContact CB-CD1 4.44Å
17A94.8Very high93.2Very high45 Ų4546.5 Ų46.537%0.37225%0.247SC..Hα-helixtrans-64.6-26.6177.600000113.3T13 G19 V48 M50T13-A17 WeakPolarHBondContact O-CB 3.23Å; T13-A17 PolarHBondContact O-N 3.09Å; A17-G19 VanDerWaalsContact C-N 3.34Å; A17-V48 WeakPolarHBondContact CA-O 3.4Å; A17-V48 WeakPolarHBondContact CB-O 3.45Å; A17-M50 WeakPolarHBondContact O-CE 3.37Å
18K94Very high93.6Very high163 Ų16343.1 Ų43.171%0.70923%0.23SC*.THydrogen-bonded Turntrans-83.8-7.9173.4-70.3172.4-174.4178.50113.4A14 A15 A16 N20A14-K18 VanDerWaalsContact O-CG 3.28Å; A14-K18 WeakPolarHBondContact O-CG 3.49Å; A14-K18 PolarHBondContact O-N 3.26Å; A15-K18 PolarHBondContact O-N 3.47Å; A16-K18 PolarHBondContact O-N 3.28Å; K18-N20 VanDerWaalsContact C-N 3.31Å; K18-N20 PolarHBondContact O-N 3.33Å
19G93.5Very high93.8Very high12 Ų1247.5 Ų47.512%0.12425%0.249CC..THydrogen-bonded Turntrans70.622.7-174.300000113.9A15 A16 A17 A21 N53A15-G19 PolarHBondContact O-N 3.28Å; A16-G19 PolarHBondContact O-N 3.1Å; A17-G19 VanDerWaalsContact C-N 3.34Å; G19-A21 PolarHBondContact O-N 3.42Å; G19-N53 PolarHBondContact O-ND2 3.02Å
20N94.1Very high93.7Very high70 Ų7053.5 Ų53.537%0.37428%0.278SS..  trans-9191.3-179.2-171.5-15.6000110.8A15 K18 D22 E23 V24A15-N20 PolarHBondContact O-N 2.79Å; K18-N20 VanDerWaalsContact C-N 3.31Å; K18-N20 PolarHBondContact O-N 3.33Å; N20-D22 VanDerWaalsContact C-N 3.35Å; N20-D22 PolarHBondContact O-N 3.45Å; N20-D22 PolarHBondContact OD1-N 2.92Å; N20-E23 HydrophobicContact CB-CB 4.05Å; N20-E23 VanDerWaalsContact CG-CB 3.46Å; N20-E23 WeakPolarHBondContact ND2-CB 3.14Å; N20-E23 PolarHBondContact O-N 3.28Å; N20-E23 PolarHBondContact OD1-N 3.05Å; N20-E23 VanDerWaalsContact OD1-N 3.08Å; N20-V24 WeakPolarHBondContact O-CG2 3.43Å; N20-V24 PolarHBondContact O-N 3.05Å
21A94.6Very high93.4Very high21 Ų2150.5 Ų50.517%0.17427%0.27CS..Hα-helixtrans-63.5-37.5-179.100000113.1G19 E23 V24 Q25 K55 V56 L59G19-A21 PolarHBondContact O-N 3.42Å; A21-E23 VanDerWaalsContact C-N 3.34Å; A21-E23 PolarHBondContact O-N 3.23Å; A21-V24 PolarHBondContact O-N 3.31Å; A21-Q25 WeakPolarHBondContact O-CB 3.4Å; A21-Q25 PolarHBondContact O-N 2.97Å; A21-K55 HydrophobicContact CB-CB 4.37Å; A21-V56 HydrophobicContact CB-CG2 3.96Å; A21-L59 VanDerWaalsContact O-CD2 3.29Å; A21-L59 WeakPolarHBondContact O-CD2 3.32Å
22D94.5Very high93Very high130 Ų13059.3 Ų59.370%0.69530%0.295SS*.Hα-helixtrans-64.4-42.4179.8-59.5-30.4000110.8N20 Q25 R26N20-D22 VanDerWaalsContact C-N 3.35Å; N20-D22 PolarHBondContact O-N 3.45Å; N20-D22 PolarHBondContact OD1-N 2.92Å; D22-Q25 PolarHBondContact O-N 3.26Å; D22-R26 WeakPolarHBondContact O-CB 3.21Å; D22-R26 PolarHBondContact O-N 2.93Å
23E93.6Very high92.8Very high58 Ų5859.9 Ų59.927%0.27130%0.299SS..Hα-helixtrans-70-37.7177-17664.4-177.200111.9A15 N20 A21 Q25 R26 I27A15-E23 HydrophobicContact CB-CB 4.09Å; A15-E23 HydrophobicContact CB-CG 3.74Å; N20-E23 HydrophobicContact CB-CB 4.05Å; N20-E23 VanDerWaalsContact CG-CB 3.46Å; N20-E23 WeakPolarHBondContact ND2-CB 3.14Å; N20-E23 PolarHBondContact O-N 3.28Å; N20-E23 PolarHBondContact OD1-N 3.05Å; N20-E23 VanDerWaalsContact OD1-N 3.08Å; A21-E23 VanDerWaalsContact C-N 3.34Å; A21-E23 PolarHBondContact O-N 3.23Å; E23-Q25 VanDerWaalsContact C-N 3.33Å; E23-Q25 PolarHBondContact O-N 3.39Å; E23-R26 VanDerWaalsContact CD-NH2 3.34Å; E23-R26 PolarHBondContact O-N 2.89Å; E23-R26 IonicContact OE1-CZ 2.79Å; E23-R26 IonicContact OE1-NE 3.64Å; E23-R26 IonicContact OE1-NH2 2.81Å; E23-R26 PolarHBondContact OE1-NH2 2.81Å; E23-R26 IonicContact OE2-CZ 3.62Å; E23-R26 IonicContact OE2-NE 3.44Å; E23-R26 PolarHBondContact OE2-NE 3.4Å; E23-R26 IonicContact OE2-NH2 3.82Å; E23-R26 PolarHBondContact OE2-NH2 3.19Å; E23-I27 HydrophobicContact CG-CD1 3.9Å; E23-I27 HydrophobicContact CG-CG1 4.46Å; E23-I27 WeakPolarHBondContact O-CB 3.41Å; E23-I27 VanDerWaalsContact O-CG1 3.24Å; E23-I27 WeakPolarHBondContact O-CG1 3.46Å; E23-I27 PolarHBondContact O-N 2.71Å
24V95.2Very high92.7Very high0 Ų064.4 Ų64.40%032%0.319CS..Hα-helixtrans-58.7-47.4171.8169.60000110.1L12 A15 A16 N20 A21 I27 L28 V56 L59 L60L12-V24 HydrophobicContact CD1-CG1 3.98Å; A15-V24 HydrophobicContact CB-CG2 3.74Å; A16-V24 HydrophobicContact CB-CG2 4.19Å; N20-V24 WeakPolarHBondContact O-CG2 3.43Å; N20-V24 PolarHBondContact O-N 3.05Å; A21-V24 PolarHBondContact O-N 3.31Å; V24-I27 PolarHBondContact O-N 3.38Å; V24-L28 HydrophobicContact CG1-CD1 3.84Å; V24-L28 HydrophobicContact CG1-CG 4.49Å; V24-L28 VanDerWaalsContact O-CG 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 3.43Å; V24-V56 HydrophobicContact CG2-CG1 4.37Å; V24-L59 HydrophobicContact CB-CD2 3.92Å; V24-L59 HydrophobicContact CG1-CD2 3.6Å; V24-L59 HydrophobicContact CG1-CG 4.24Å; V24-L60 HydrophobicContact CG1-CD2 3.8Å; V24-L60 HydrophobicContact CG1-CG 4.26Å
25Q95Very high92.7Very high81 Ų8162.6 Ų62.638%0.37930%0.303SS..Hα-helixtrans-61.6-48.2179-176.9175.8-26.100111A21 D22 E23 I27 L28 E29 L59A21-Q25 WeakPolarHBondContact O-CB 3.4Å; A21-Q25 PolarHBondContact O-N 2.97Å; D22-Q25 PolarHBondContact O-N 3.26Å; E23-Q25 VanDerWaalsContact C-N 3.33Å; E23-Q25 PolarHBondContact O-N 3.39Å; Q25-I27 VanDerWaalsContact C-N 3.33Å; Q25-I27 PolarHBondContact O-N 2.81Å; Q25-L28 PolarHBondContact O-N 3.06Å; Q25-E29 HydrophobicContact CG-CG 4.38Å; Q25-E29 PolarHBondContact NE2-OE1 2.92Å; Q25-E29 PolarHBondContact NE2-OE2 3.45Å; Q25-E29 WeakPolarHBondContact O-CB 3.42Å; Q25-E29 WeakPolarHBondContact O-CG 3.26Å; Q25-E29 PolarHBondContact O-N 3.16Å; Q25-L59 HydrophobicContact CB-CD1 4.36Å; Q25-L59 HydrophobicContact CB-CD2 3.78Å; Q25-L59 HydrophobicContact CG-CD1 4.48Å
26R93.3Very high92.6Very high108 Ų10864.1 Ų64.141%0.40831%0.311SS..Hα-helixtrans-57.4-45.2179-168.1-177.872.288.4-0.9111.7D22 E23 E29 E30D22-R26 WeakPolarHBondContact O-CB 3.21Å; D22-R26 PolarHBondContact O-N 2.93Å; E23-R26 VanDerWaalsContact CD-NH2 3.34Å; E23-R26 PolarHBondContact O-N 2.89Å; E23-R26 IonicContact OE1-CZ 2.79Å; E23-R26 IonicContact OE1-NE 3.64Å; E23-R26 IonicContact OE1-NH2 2.81Å; E23-R26 PolarHBondContact OE1-NH2 2.81Å; E23-R26 IonicContact OE2-CZ 3.62Å; E23-R26 IonicContact OE2-NE 3.44Å; E23-R26 PolarHBondContact OE2-NE 3.4Å; E23-R26 IonicContact OE2-NH2 3.82Å; E23-R26 PolarHBondContact OE2-NH2 3.19Å; R26-E29 PolarHBondContact O-N 3.36Å; R26-E30 HydrophobicContact CG-CG 3.96Å; R26-E30 VanDerWaalsContact CG-OE1 3.31Å; R26-E30 WeakPolarHBondContact CG-OE1 3.34Å; R26-E30 WeakPolarHBondContact CG-OE2 3.15Å; R26-E30 IonicContact CZ-OE2 3.72Å; R26-E30 IonicContact NH1-OE2 3.85Å; R26-E30 PolarHBondContact NH1-OE2 3.06Å; R26-E30 VanDerWaalsContact O-CB 3.23Å; R26-E30 WeakPolarHBondContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CG 3.4Å; R26-E30 PolarHBondContact O-N 3.03Å
27I92.2Very high92.5Very high5 Ų564.9 Ų64.93%0.02632%0.316CS..Hα-helixtrans-64.3-46.4178.9-68.7165.8000111.1A11 L12 A15 E23 V24 Q25 E29 C31 V33A11-I27 HydrophobicContact CB-CD1 3.97Å; L12-I27 HydrophobicContact CB-CG2 4.05Å; L12-I27 HydrophobicContact CD1-CB 4.32Å; L12-I27 HydrophobicContact CD1-CG2 4.06Å; A15-I27 HydrophobicContact CB-CD1 4.05Å; E23-I27 HydrophobicContact CG-CD1 3.9Å; E23-I27 HydrophobicContact CG-CG1 4.46Å; E23-I27 WeakPolarHBondContact O-CB 3.41Å; E23-I27 VanDerWaalsContact O-CG1 3.24Å; E23-I27 WeakPolarHBondContact O-CG1 3.46Å; E23-I27 PolarHBondContact O-N 2.71Å; V24-I27 PolarHBondContact O-N 3.38Å; Q25-I27 VanDerWaalsContact C-N 3.33Å; Q25-I27 PolarHBondContact O-N 2.81Å; I27-E29 VanDerWaalsContact C-N 3.3Å; I27-E29 PolarHBondContact O-N 2.96Å; I27-C31 WeakPolarHBondContact O-CA 3.44Å; I27-C31 WeakPolarHBondContact O-CB 3.35Å; I27-C31 PolarHBondContact O-N 2.72Å; I27-V33 HydrophobicContact CG2-CG2 3.79Å
28L92.2Very high92.4Very high13 Ų1365.9 Ų65.97%0.06832%0.318CS..Hα-helixtrans-61.5-39.6179.5-67.4170.3000111.8L12 V24 Q25 R32 V33 P35 L60 K63L12-L28 HydrophobicContact CD1-CD1 4.5Å; L12-L28 HydrophobicContact CD1-CD2 3.88Å; L12-L28 HydrophobicContact CD1-CG 3.9Å; L12-L28 HydrophobicContact CD2-CD2 3.96Å; V24-L28 HydrophobicContact CG1-CD1 3.84Å; V24-L28 HydrophobicContact CG1-CG 4.49Å; V24-L28 VanDerWaalsContact O-CG 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 3.43Å; Q25-L28 PolarHBondContact O-N 3.06Å; L28-R32 WeakPolarHBondContact O-CA 3.37Å; L28-R32 PolarHBondContact O-N 3Å; L28-V33 HydrophobicContact CD2-CG2 4.3Å; L28-V33 WeakPolarHBondContact CD2-O 3.3Å; L28-P35 HydrophobicContact CD2-CB 4.07Å; L28-L60 HydrophobicContact CD1-CD2 4.33Å; L28-K63 HydrophobicContact CD1-CB 4.08Å; L28-K63 HydrophobicContact CD1-CG 3.9Å
29E90.1Very high92.3Very high93 Ų9359.2 Ų59.244%0.43529%0.29SS..Hα-helixtrans-84.2-48-175.2-68.3177.1174.200113.2Q25 R26 I27 K63Q25-E29 HydrophobicContact CG-CG 4.38Å; Q25-E29 PolarHBondContact NE2-OE1 2.92Å; Q25-E29 PolarHBondContact NE2-OE2 3.45Å; Q25-E29 WeakPolarHBondContact O-CB 3.42Å; Q25-E29 WeakPolarHBondContact O-CG 3.26Å; Q25-E29 PolarHBondContact O-N 3.16Å; R26-E29 PolarHBondContact O-N 3.36Å; I27-E29 VanDerWaalsContact C-N 3.3Å; I27-E29 PolarHBondContact O-N 2.96Å; E29-K63 IonicContact OE1-NZ 3.25Å; E29-K63 PolarHBondContact OE1-NZ 3.43Å
30E88.3Confident92.2Very high126 Ų12663.4 Ų63.459%0.58931%0.307SS*.Hα-helixtrans-76.2-41.2-177.2-65.6-177.617600112.1R26 R32R26-E30 HydrophobicContact CG-CG 3.96Å; R26-E30 VanDerWaalsContact CG-OE1 3.31Å; R26-E30 WeakPolarHBondContact CG-OE1 3.34Å; R26-E30 WeakPolarHBondContact CG-OE2 3.15Å; R26-E30 IonicContact CZ-OE2 3.72Å; R26-E30 IonicContact NH1-OE2 3.85Å; R26-E30 PolarHBondContact NH1-OE2 3.06Å; R26-E30 VanDerWaalsContact O-CB 3.23Å; R26-E30 WeakPolarHBondContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CG 3.4Å; R26-E30 PolarHBondContact O-N 3.03Å; E30-R32 VanDerWaalsContact C-N 3.35Å
31C85.8Confident91.9Very high44 Ų4467.5 Ų67.530%0.29732%0.322SS..SBendtrans-87.5-8.3-178.9-54.20000112.5I27 V33I27-C31 WeakPolarHBondContact O-CA 3.44Å; I27-C31 WeakPolarHBondContact O-CB 3.35Å; I27-C31 PolarHBondContact O-N 2.72Å; C31-V33 HydrophobicContact CB-CG1 3.97Å; C31-V33 HydrophobicContact CB-CG2 4.42Å; C31-V33 PolarHBondContact O-N 2.87Å
32R86.5Confident91.8Very high222 Ų22269.1 Ų69.184%0.83834%0.34SS*.  trans49.944-177.9-59.5-176.8176.5-171-2.3112.4L28 E30L28-R32 WeakPolarHBondContact O-CA 3.37Å; L28-R32 PolarHBondContact O-N 3Å; E30-R32 VanDerWaalsContact C-N 3.35Å
33V89.8Confident91.7Very high12 Ų1267 Ų677%0.07332%0.322CS..  trans-97.1146.7179.5-64.50000111.2A8 I27 L28 C31A8-V33 HydrophobicContact CB-CB 4.44Å; A8-V33 HydrophobicContact CB-CG1 3.48Å; A8-V33 VanDerWaalsContact CB-CG1 3.48Å; I27-V33 HydrophobicContact CG2-CG2 3.79Å; L28-V33 HydrophobicContact CD2-CG2 4.3Å; L28-V33 WeakPolarHBondContact CD2-O 3.3Å; C31-V33 HydrophobicContact CB-CG1 3.97Å; C31-V33 HydrophobicContact CB-CG2 4.42Å; C31-V33 PolarHBondContact O-N 2.87Å
34H93.2Very high91.8Very high101 Ų10164.8 Ų64.847%0.46831%0.313SS..  trans-70.1142.7174.5-162-93000109.8D36 T37H34-D36 IonicContact CE1-OD2 3.75Å; H34-D36 PolarHBondContact CE1-OD2 3.04Å; H34-D36 VanDerWaalsContact CE1-OD2 3.25Å; H34-D36 WeakPolarHBondContact ND1-CB 3.24Å; H34-D36 PolarHBondContact ND1-N 3.27Å; H34-D36 VanDerWaalsContact ND1-N 3.19Å; H34-D36 IonicContact ND1-OD2 2.77Å; H34-D36 PolarHBondContact O-N 2.94Å; H34-T37 WeakPolarHBondContact O-CB 3.49Å; H34-T37 PolarHBondContact O-N 3.21Å; H34-T37 PolarHBondContact O-OG1 2.94Å
35P93.9Very high91.8Very high4 Ų464.8 Ų64.83%0.02631%0.313CS..THydrogen-bonded Turntrans-61.8-25.9177.325-36.2000113.8L28 T37 L60 K63 A65L28-P35 HydrophobicContact CD2-CB 4.07Å; P35-T37 VanDerWaalsContact C-N 3.29Å; P35-T37 PolarHBondContact O-N 3.32Å; P35-L60 HydrophobicContact CB-CD2 4.08Å; P35-K63 HydrophobicContact CG-CB 4.42Å; P35-K63 WeakPolarHBondContact CG-O 3.49Å; P35-A65 HydrophobicContact CB-CB 3.94Å; P35-A65 HydrophobicContact CG-CB 4.12Å
36D95.3Very high91.9Very high39 Ų3961 Ų6121%0.20930%0.295CS..THydrogen-bonded Turntrans-85.17.4175.2-59.8-35.8000114.2H34 P38 T44 A65 E66H34-D36 IonicContact CE1-OD2 3.75Å; H34-D36 PolarHBondContact CE1-OD2 3.04Å; H34-D36 VanDerWaalsContact CE1-OD2 3.25Å; H34-D36 WeakPolarHBondContact ND1-CB 3.24Å; H34-D36 PolarHBondContact ND1-N 3.27Å; H34-D36 VanDerWaalsContact ND1-N 3.19Å; H34-D36 IonicContact ND1-OD2 2.77Å; H34-D36 PolarHBondContact O-N 2.94Å; D36-P38 VanDerWaalsContact O-CD 3.23Å; D36-P38 WeakPolarHBondContact O-CD 3.47Å; D36-P38 VanDerWaalsContact O-N 3.08Å; D36-T44 HydrophobicContact CB-CG2 4.14Å; D36-T44 WeakPolarHBondContact O-CG2 3.46Å; D36-A65 WeakPolarHBondContact OD1-CA 3.34Å; D36-E66 PolarHBondContact OD1-N 2.9Å; D36-E66 PolarHBondContact OD2-N 3.45Å; D36-E66 VanDerWaalsContact OD2-N 3.12Å
37T93.8Very high91.9Very high16 Ų1656.4 Ų56.410%0.09828%0.278CS..  trans-59.4117.1174.8-63.90000109.4H34 P35H34-T37 WeakPolarHBondContact O-CB 3.49Å; H34-T37 PolarHBondContact O-N 3.21Å; H34-T37 PolarHBondContact O-OG1 2.94Å; P35-T37 VanDerWaalsContact C-N 3.29Å; P35-T37 PolarHBondContact O-N 3.32Å
38P92.6Very high92.1Very high66 Ų6657.7 Ų57.743%0.42929%0.286SS..  trans-76.9153.1-174.330.9-34.6000111.6D36 R43D36-P38 VanDerWaalsContact O-CD 3.23Å; D36-P38 WeakPolarHBondContact O-CD 3.47Å; D36-P38 VanDerWaalsContact O-N 3.08Å; P38-R43 WeakPolarHBondContact CA-O 3.31Å
39N91.5Very high92.2Very high22 Ų2257.4 Ų57.412%0.11829%0.285CS..  trans-80.7-174.3167.765.916.6000112.5T13 F41 G42 R43T13-N39 HydrophobicContact CG2-CB 3.93Å; T13-N39 WeakPolarHBondContact OG1-CB 3.26Å; N39-F41 PolarHBondContact O-N 2.77Å; N39-F41 WeakPolarHBondContact OD1-CA 3.39Å; N39-F41 WeakPolarHBondContact OD1-CB 3.37Å; N39-F41 PolarHBondContact OD1-N 2.8Å; N39-G42 PolarHBondContact O-N 3.1Å; N39-G42 PolarHBondContact OD1-N 3.21Å; N39-R43 PolarHBondContact N-O 3.29Å; N39-R43 PolarHBondContact OD1-N 3.26Å; N39-R43 PolarHBondContact OD1-O 2.77Å
40E90.4Very high92.2Very high101 Ų10157.5 Ų57.547%0.47229%0.286SS..THydrogen-bonded Turntrans-59.7-15.5177.664.9-170.1112.100114.5M6 K10M6-E40 HydrophobicContact CE-CB 4.09Å; K10-E40 WeakPolarHBondContact CE-OE1 3.49Å; K10-E40 IonicContact NZ-OE1 3.22Å; K10-E40 PolarHBondContact NZ-OE1 3.42Å
41F89Confident92.2Very high156 Ų15652.2 Ų52.268%0.68426%0.262SS*.THydrogen-bonded Turntrans-99.85176.4-53.2-71.5000113.2N39 R43N39-F41 PolarHBondContact O-N 2.77Å; N39-F41 WeakPolarHBondContact OD1-CA 3.39Å; N39-F41 WeakPolarHBondContact OD1-CB 3.37Å; N39-F41 PolarHBondContact OD1-N 2.8Å; F41-R43 VanDerWaalsContact C-N 3.28Å; F41-R43 HydrophobicContact CB-CG 4.3Å; F41-R43 PolarHBondContact O-N 3.18Å
42G91.1Very high92.4Very high54 Ų5452 Ų5256%0.55727%0.266SS*.SBendtrans74.214.9-176.800000114.2N39N39-G42 PolarHBondContact O-N 3.1Å; N39-G42 PolarHBondContact OD1-N 3.21Å
43R93.1Very high92.7Very high87 Ų8743 Ų4333%0.32824%0.235SC..  trans-100.3140.2-179-54.8-174.896.2-171.36.4111P38 N39 F41 Q47 V48 D71P38-R43 WeakPolarHBondContact CA-O 3.31Å; N39-R43 PolarHBondContact N-O 3.29Å; N39-R43 PolarHBondContact OD1-N 3.26Å; N39-R43 PolarHBondContact OD1-O 2.77Å; F41-R43 VanDerWaalsContact C-N 3.28Å; F41-R43 HydrophobicContact CB-CG 4.3Å; F41-R43 PolarHBondContact O-N 3.18Å; R43-Q47 VanDerWaalsContact CA-OE1 3.31Å; R43-Q47 HydrophobicContact CB-CB 4.45Å; R43-V48 HydrophobicContact CB-CG1 3.88Å; R43-D71 IonicContact NH2-OD2 2.86Å
44T95.5Very high92.9Very high11 Ų1143.9 Ų43.97%0.06724%0.241CC..  trans-84.5168.9175.672.40000111.5D36 L46 Q47 V69D36-T44 HydrophobicContact CB-CG2 4.14Å; D36-T44 WeakPolarHBondContact O-CG2 3.46Å; T44-L46 VanDerWaalsContact C-N 3.26Å; T44-L46 PolarHBondContact O-N 2.99Å; T44-Q47 PolarHBondContact O-N 2.85Å; T44-V69 HydrophobicContact CG2-CG2 4.19Å
45A95.8Very high93Very high0 Ų046.2 Ų46.20%025%0.25CS..SBendtrans-60.1-37.6177.600000112.5L12 T13 A16 Q47 V48 M49 L60L12-A45 HydrophobicContact CD2-CB 3.98Å; L12-A45 HydrophobicContact CG-CB 3.86Å; T13-A45 HydrophobicContact CG2-CB 4.44Å; A16-A45 HydrophobicContact CB-CB 4.05Å; A45-Q47 VanDerWaalsContact C-N 3.3Å; A45-Q47 PolarHBondContact O-N 3.28Å; A45-V48 PolarHBondContact O-N 3.06Å; A45-M49 WeakPolarHBondContact O-CB 3.4Å; A45-M49 PolarHBondContact O-N 3.44Å; A45-L60 HydrophobicContact CB-CD1 3.81Å; A45-L60 HydrophobicContact CB-CD2 3.72Å; A45-L60 HydrophobicContact CB-CG 4.45Å
46L96.4Very high93.1Very high1 Ų146 Ų461%0.00525%0.249CC..THydrogen-bonded Turntrans-67.1-30.4-179.4-16569.4000112.4T44 V48 M49 L60 L61 A65 E66 V69 P77 L93T44-L46 VanDerWaalsContact C-N 3.26Å; T44-L46 PolarHBondContact O-N 2.99Å; L46-V48 VanDerWaalsContact C-N 3.34Å; L46-M49 HydrophobicContact CD1-CE 3.77Å; L46-M49 HydrophobicContact CD1-SD 3.76Å; L46-M49 HydrophobicContact CG-CE 4.47Å; L46-L60 HydrophobicContact CB-CD1 4.45Å; L46-L60 HydrophobicContact CD1-CB 4.26Å; L46-L60 HydrophobicContact CD1-CD1 4.23Å; L46-L61 HydrophobicContact CD1-CD2 4.5Å; L46-L61 HydrophobicContact CD1-CG 4.32Å; L46-L61 HydrophobicContact CD2-CD2 4.04Å; L46-A65 HydrophobicContact CD2-CB 4.3Å; L46-E66 WeakPolarHBondContact CD2-O 3.34Å; L46-V69 HydrophobicContact CD2-CG1 4.48Å; L46-P77 HydrophobicContact CD2-CB 4.46Å; L46-P77 HydrophobicContact CD2-CG 3.81Å; L46-P77 HydrophobicContact CG-CB 4.27Å; L46-P77 HydrophobicContact CG-CG 3.8Å; L46-L93 HydrophobicContact CD1-CD2 4.16Å; L46-L93 HydrophobicContact CD2-CD2 4.36Å; L46-L93 HydrophobicContact CG-CD2 4.48Å
47Q94.6Very high93.2Very high11 Ų1144.2 Ų44.25%0.05124%0.239CC..THydrogen-bonded Turntrans-78.5-13.5178.2-67.4179.5-57.500114.5R43 T44 A45 V69 Q70R43-Q47 VanDerWaalsContact CA-OE1 3.31Å; R43-Q47 HydrophobicContact CB-CB 4.45Å; T44-Q47 PolarHBondContact O-N 2.85Å; A45-Q47 VanDerWaalsContact C-N 3.3Å; A45-Q47 PolarHBondContact O-N 3.28Å; Q47-V69 HydrophobicContact CG-CB 4.37Å; Q47-V69 HydrophobicContact CG-CG1 3.45Å; Q47-V69 VanDerWaalsContact CG-CG1 3.45Å; Q47-V69 HydrophobicContact CG-CG2 4.06Å; Q47-Q70 PolarHBondContact NE2-O 3.36Å; Q47-Q70 VanDerWaalsContact NE2-O 3.16Å
48V94.8Very high93.4Very high33 Ų3347.9 Ų47.920%0.225%0.251CS..THydrogen-bonded Turntrans-124.2-0.3-176.4-54.60000113.3T13 A17 R43 A45 L46T13-V48 HydrophobicContact CG2-CG2 4Å; A17-V48 WeakPolarHBondContact CA-O 3.4Å; A17-V48 WeakPolarHBondContact CB-O 3.45Å; R43-V48 HydrophobicContact CB-CG1 3.88Å; A45-V48 PolarHBondContact O-N 3.06Å; L46-V48 VanDerWaalsContact C-N 3.34Å
49M94.3Very high93.6Very high7 Ų745.6 Ų45.63%0.03424%0.236CC..SBendtrans-60.3153.4-178.268.7177177.600111.5A16 A45 L46 M51 V56 A57 L60 T89 L93A16-M49 HydrophobicContact CB-CB 4.08Å; A16-M49 WeakPolarHBondContact O-CA 3.35Å; A45-M49 WeakPolarHBondContact O-CB 3.4Å; A45-M49 PolarHBondContact O-N 3.44Å; L46-M49 HydrophobicContact CD1-CE 3.77Å; L46-M49 HydrophobicContact CD1-SD 3.76Å; L46-M49 HydrophobicContact CG-CE 4.47Å; M49-M51 HydrophobicContact CE-CE 3.88Å; M49-M51 HydrophobicContact CE-SD 3.94Å; M49-M51 HydrophobicContact CG-CE 3.69Å; M49-M51 HydrophobicContact CG-SD 4.5Å; M49-M51 PolarHBondContact O-N 3.42Å; M49-M51 VanDerWaalsContact O-N 3.1Å; M49-V56 HydrophobicContact CB-CG1 3.98Å; M49-A57 HydrophobicContact CE-CB 3.57Å; M49-A57 WeakPolarHBondContact SD-CA 3.1Å; M49-A57 HydrophobicContact SD-CB 3.51Å; M49-A57 VanDerWaalsContact SD-CB 3.51Å; M49-L60 HydrophobicContact SD-CD1 4.46Å; M49-T89 HydrophobicContact CE-CG2 3.77Å; M49-L93 HydrophobicContact CE-CD2 4.25Å
50M91.8Very high93.9Very high94 Ų9444.6 Ų44.646%0.46323%0.23SC..  trans-67.7110.1171-176.6175.2-68.700109.6A16 A17 G52 N53A16-M50 PolarHBondContact O-N 3.3Å; A16-M50 VanDerWaalsContact O-N 3.12Å; A17-M50 WeakPolarHBondContact O-CE 3.37Å; M50-G52 PolarHBondContact O-N 3.44Å; M50-G52 VanDerWaalsContact O-N 3.11Å; M50-N53 HydrophobicContact CB-CB 4.44Å; M50-N53 WeakPolarHBondContact O-CB 3.31Å; M50-N53 PolarHBondContact O-N 3.39Å
51M88.3Confident94.2Very high16 Ų1640.4 Ų40.48%0.07921%0.211CC..THydrogen-bonded Turntrans-59.2-27.1-174.9-66.9-62.9141.300113.6M49 N53 D80 A81 T84 F86 T89M49-M51 HydrophobicContact CE-CE 3.88Å; M49-M51 HydrophobicContact CE-SD 3.94Å; M49-M51 HydrophobicContact CG-CE 3.69Å; M49-M51 HydrophobicContact CG-SD 4.5Å; M49-M51 PolarHBondContact O-N 3.42Å; M49-M51 VanDerWaalsContact O-N 3.1Å; M51-N53 PolarHBondContact O-N 3.01Å; M51-D80 HydrophobicContact CE-CB 3.89Å; M51-D80 HydrophobicContact CG-CB 4.3Å; M51-D80 HydrophobicContact SD-CB 4.02Å; M51-A81 HydrophobicContact SD-CB 4.49Å; M51-T84 HydrophobicContact CB-CG2 4.46Å; M51-T84 HydrophobicContact CG-CG2 4.38Å; M51-F86 VanDerWaalsContact C-CD2 3.43Å; M51-F86 HydrophobicContact CB-CB 4.49Å; M51-F86 HydrophobicContact CB-CD2 3.38Å; M51-F86 HydrophobicContact CB-CE2 3.94Å; M51-F86 HydrophobicContact CB-CG 4.27Å; M51-F86 WeakPolarHBondContact O-CB 3.18Å; M51-T89 VanDerWaalsContact O-CB 3.23Å; M51-T89 WeakPolarHBondContact O-CB 3.5Å; M51-T89 PolarHBondContact O-OG1 3.15Å; M51-T89 HydrophobicContact SD-CG2 4.3Å
52G89.4Confident94.6Very high38 Ų3838.9 Ų38.939%0.39221%0.206SC..THydrogen-bonded Turntrans-731.1173.400000115.1M50M50-G52 PolarHBondContact O-N 3.44Å; M50-G52 VanDerWaalsContact O-N 3.11Å
53N91.6Very high94.8Very high35 Ų3540.6 Ų40.619%0.18720%0.198CC..  trans-116.783.4-179.6-163.3-39.7000111.7G19 M50 M51 K55 V56 A57G19-N53 PolarHBondContact O-ND2 3.02Å; M50-N53 HydrophobicContact CB-CB 4.44Å; M50-N53 WeakPolarHBondContact O-CB 3.31Å; M50-N53 PolarHBondContact O-N 3.39Å; M51-N53 PolarHBondContact O-N 3.01Å; N53-K55 PolarHBondContact O-N 3.48Å; N53-K55 VanDerWaalsContact O-N 3.16Å; N53-K55 WeakPolarHBondContact OD1-CB 3.47Å; N53-K55 PolarHBondContact OD1-N 3.36Å; N53-V56 HydrophobicContact CB-CG2 4.38Å; N53-V56 PolarHBondContact O-N 2.95Å; N53-V56 VanDerWaalsContact O-N 3.17Å; N53-V56 PolarHBondContact OD1-N 2.87Å; N53-V56 VanDerWaalsContact OD1-N 3.15Å; N53-A57 PolarHBondContact O-N 3.5Å
54S93.9Very high94.9Very high29 Ų2938.5 Ų38.520%0.20320%0.203CC..Hα-helixtrans-60.5-22.4177.358.20000113.6R58 T89S54-R58 WeakPolarHBondContact O-CB 3.39Å; S54-R58 PolarHBondContact O-N 3.48Å; S54-T89 WeakPolarHBondContact CA-OG1 3.38Å; S54-T89 PolarHBondContact N-OG1 3.3Å
55K96.3Very high95Very high151 Ų15138.3 Ų38.366%0.65720%0.203SC*.Hα-helixtrans-68.5-42.5175.9-60.8-179.7178.5178.30111.9A21 N53 R58 L59A21-K55 HydrophobicContact CB-CB 4.37Å; N53-K55 PolarHBondContact O-N 3.48Å; N53-K55 VanDerWaalsContact O-N 3.16Å; N53-K55 WeakPolarHBondContact OD1-CB 3.47Å; N53-K55 PolarHBondContact OD1-N 3.36Å; K55-R58 PolarHBondContact O-N 3.08Å; K55-L59 WeakPolarHBondContact O-CB 3.29Å; K55-L59 PolarHBondContact O-N 3.31Å
56V96.4Very high95.1Very high0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-64.1-44.6175.6171.30000110.2A16 A21 V24 M49 N53 R58 L59 L60A16-V56 HydrophobicContact CB-CG1 3.97Å; A21-V56 HydrophobicContact CB-CG2 3.96Å; V24-V56 HydrophobicContact CG2-CG1 4.37Å; M49-V56 HydrophobicContact CB-CG1 3.98Å; N53-V56 HydrophobicContact CB-CG2 4.38Å; N53-V56 PolarHBondContact O-N 2.95Å; N53-V56 VanDerWaalsContact O-N 3.17Å; N53-V56 PolarHBondContact OD1-N 2.87Å; N53-V56 VanDerWaalsContact OD1-N 3.15Å; V56-R58 PolarHBondContact O-N 3.41Å; V56-L59 PolarHBondContact O-N 3.2Å; V56-L60 HydrophobicContact CG1-CD1 3.87Å; V56-L60 HydrophobicContact CG1-CG 4.39Å; V56-L60 WeakPolarHBondContact O-CG 3.38Å; V56-L60 PolarHBondContact O-N 2.98Å
57A96.9Very high95.1Very high0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-55.8-52.8175.800000111.4M49 N53 L59 L60 L61 T89 V92M49-A57 HydrophobicContact CE-CB 3.57Å; M49-A57 WeakPolarHBondContact SD-CA 3.1Å; M49-A57 HydrophobicContact SD-CB 3.51Å; M49-A57 VanDerWaalsContact SD-CB 3.51Å; N53-A57 PolarHBondContact O-N 3.5Å; A57-L59 PolarHBondContact O-N 2.97Å; A57-L60 PolarHBondContact O-N 3.28Å; A57-L61 WeakPolarHBondContact O-CD1 3.29Å; A57-L61 VanDerWaalsContact O-CG 3.29Å; A57-L61 WeakPolarHBondContact O-CG 3.33Å; A57-L61 PolarHBondContact O-N 3.4Å; A57-T89 HydrophobicContact CB-CG2 4.01Å; A57-V92 HydrophobicContact CB-CG1 4.09Å
58R97.8Very high95.3Very high94 Ų9445 Ų4536%0.35524%0.237SC..Hα-helixtrans-57.3-49.6179.5-176.4-178.6-57.2-75.60111.6S54 K55 V56 L60 L61 E62 V92 E95S54-R58 WeakPolarHBondContact O-CB 3.39Å; S54-R58 PolarHBondContact O-N 3.48Å; K55-R58 PolarHBondContact O-N 3.08Å; V56-R58 PolarHBondContact O-N 3.41Å; R58-L60 PolarHBondContact O-N 3.26Å; R58-L61 PolarHBondContact O-N 3.37Å; R58-E62 WeakPolarHBondContact CD-OE1 3.49Å; R58-E62 HydrophobicContact CG-CG 4.18Å; R58-E62 WeakPolarHBondContact CG-OE1 3.47Å; R58-E62 WeakPolarHBondContact O-CB 3.48Å; R58-E62 VanDerWaalsContact O-CG 3.31Å; R58-E62 WeakPolarHBondContact O-CG 3.32Å; R58-E62 PolarHBondContact O-N 3.02Å; R58-V92 HydrophobicContact CB-CG1 3.91Å; R58-E95 IonicContact NH1-OE2 2.67Å
59L97.1Very high95.4Very high18 Ų1844.7 Ų44.79%0.09424%0.236CC..Hα-helixtrans-59-45.5-179.9174.764.1000112.1A21 V24 Q25 K55 V56 A57 K63A21-L59 VanDerWaalsContact O-CD2 3.29Å; A21-L59 WeakPolarHBondContact O-CD2 3.32Å; V24-L59 HydrophobicContact CB-CD2 3.92Å; V24-L59 HydrophobicContact CG1-CD2 3.6Å; V24-L59 HydrophobicContact CG1-CG 4.24Å; Q25-L59 HydrophobicContact CB-CD1 4.36Å; Q25-L59 HydrophobicContact CB-CD2 3.78Å; Q25-L59 HydrophobicContact CG-CD1 4.48Å; K55-L59 WeakPolarHBondContact O-CB 3.29Å; K55-L59 PolarHBondContact O-N 3.31Å; V56-L59 PolarHBondContact O-N 3.2Å; A57-L59 PolarHBondContact O-N 2.97Å; L59-K63 HydrophobicContact CD1-CG 4.12Å; L59-K63 WeakPolarHBondContact O-CB 3.32Å; L59-K63 WeakPolarHBondContact O-CG 3.49Å; L59-K63 PolarHBondContact O-N 2.98Å; L59-K63 VanDerWaalsContact O-N 3.1Å
60L97Very high95.4Very high0 Ų049.1 Ų49.10%026%0.256CS..Hα-helixtrans-62.1-45.1179-72170.9000111.3A16 V24 L28 P35 A45 L46 M49 V56 A57 R58 K63 G64 A65A16-L60 HydrophobicContact CB-CD1 4.44Å; V24-L60 HydrophobicContact CG1-CD2 3.8Å; V24-L60 HydrophobicContact CG1-CG 4.26Å; L28-L60 HydrophobicContact CD1-CD2 4.33Å; P35-L60 HydrophobicContact CB-CD2 4.08Å; A45-L60 HydrophobicContact CB-CD1 3.81Å; A45-L60 HydrophobicContact CB-CD2 3.72Å; A45-L60 HydrophobicContact CB-CG 4.45Å; L46-L60 HydrophobicContact CB-CD1 4.45Å; L46-L60 HydrophobicContact CD1-CB 4.26Å; L46-L60 HydrophobicContact CD1-CD1 4.23Å; M49-L60 HydrophobicContact SD-CD1 4.46Å; V56-L60 HydrophobicContact CG1-CD1 3.87Å; V56-L60 HydrophobicContact CG1-CG 4.39Å; V56-L60 WeakPolarHBondContact O-CG 3.38Å; V56-L60 PolarHBondContact O-N 2.98Å; A57-L60 PolarHBondContact O-N 3.28Å; R58-L60 PolarHBondContact O-N 3.26Å; L60-K63 CarbonylContact O-C 3.56Å; L60-K63 PolarHBondContact O-N 3.45Å; L60-G64 PolarHBondContact O-N 3.03Å; L60-A65 HydrophobicContact CB-CB 4.06Å; L60-A65 WeakPolarHBondContact O-CB 3.37Å; L60-A65 PolarHBondContact O-N 3.1Å
61L97.6Very high95.5Very high14 Ų1446.2 Ų46.27%0.07324%0.242CC..Hα-helixtrans-67.2-43.3179.9-69.1162.5000112.5L46 A57 R58 K63 G64 P67 V92 L93 H96L46-L61 HydrophobicContact CD1-CD2 4.5Å; L46-L61 HydrophobicContact CD1-CG 4.32Å; L46-L61 HydrophobicContact CD2-CD2 4.04Å; A57-L61 WeakPolarHBondContact O-CD1 3.29Å; A57-L61 VanDerWaalsContact O-CG 3.29Å; A57-L61 WeakPolarHBondContact O-CG 3.33Å; A57-L61 PolarHBondContact O-N 3.4Å; R58-L61 PolarHBondContact O-N 3.37Å; L61-K63 PolarHBondContact O-N 3.23Å; L61-G64 PolarHBondContact O-N 2.81Å; L61-P67 HydrophobicContact CD2-CB 3.77Å; L61-V92 HydrophobicContact CD1-CG1 3.81Å; L61-L93 HydrophobicContact CD1-CD2 4.17Å; L61-H96 HydrophobicContact CB-CB 3.92Å; L61-H96 HydrophobicContact CD1-CB 3.75Å; L61-H96 HydrophobicContact CD2-CB 3.98Å; L61-H96 HydrophobicContact CG-CB 4.1Å
62E96.7Very high95.8Very high123 Ų12354.3 Ų54.358%0.57528%0.277SS*.Hα-helixtrans-61.7-28.7174.8-75.4175179.500112.3R58 G64R58-E62 WeakPolarHBondContact CD-OE1 3.49Å; R58-E62 HydrophobicContact CG-CG 4.18Å; R58-E62 WeakPolarHBondContact CG-OE1 3.47Å; R58-E62 WeakPolarHBondContact O-CB 3.48Å; R58-E62 VanDerWaalsContact O-CG 3.31Å; R58-E62 WeakPolarHBondContact O-CG 3.32Å; R58-E62 PolarHBondContact O-N 3.02Å; E62-G64 VanDerWaalsContact C-N 3.29Å
63K96.2Very high96Very high90 Ų9055.7 Ų55.739%0.39127%0.273SS..THydrogen-bonded Turntrans-86.83.9175-63.3-72-172.2176.40113.2L28 E29 P35 L59 L60 L61L28-K63 HydrophobicContact CD1-CB 4.08Å; L28-K63 HydrophobicContact CD1-CG 3.9Å; E29-K63 IonicContact OE1-NZ 3.25Å; E29-K63 PolarHBondContact OE1-NZ 3.43Å; P35-K63 HydrophobicContact CG-CB 4.42Å; P35-K63 WeakPolarHBondContact CG-O 3.49Å; L59-K63 HydrophobicContact CD1-CG 4.12Å; L59-K63 WeakPolarHBondContact O-CB 3.32Å; L59-K63 WeakPolarHBondContact O-CG 3.49Å; L59-K63 PolarHBondContact O-N 2.98Å; L59-K63 VanDerWaalsContact O-N 3.1Å; L60-K63 CarbonylContact O-C 3.56Å; L60-K63 PolarHBondContact O-N 3.45Å; L61-K63 PolarHBondContact O-N 3.23Å
64G95.5Very high96.2Very high43 Ų4354.7 Ų54.744%0.44327%0.271SS..THydrogen-bonded Turntrans94.225172.100000115.6L60 L61 E62L60-G64 PolarHBondContact O-N 3.03Å; L61-G64 PolarHBondContact O-N 2.81Å; E62-G64 VanDerWaalsContact C-N 3.29Å
65A97.1Very high96.4Very high7 Ų754.8 Ų54.86%0.05827%0.269CS..  trans-61.7141.5170.800000111.2P35 D36 L46 L60 P67P35-A65 HydrophobicContact CB-CB 3.94Å; P35-A65 HydrophobicContact CG-CB 4.12Å; D36-A65 WeakPolarHBondContact OD1-CA 3.34Å; L46-A65 HydrophobicContact CD2-CB 4.3Å; L60-A65 HydrophobicContact CB-CB 4.06Å; L60-A65 WeakPolarHBondContact O-CB 3.37Å; L60-A65 PolarHBondContact O-N 3.1Å; A65-P67 WeakPolarHBondContact O-CD 3.37Å
66E97.7Very high96.5Very high90 Ų9047.7 Ų47.742%0.42124%0.238SC..  trans-70.5109.6174.2173.453.6-109.300110.6D36 L46 N68 V69D36-E66 PolarHBondContact OD1-N 2.9Å; D36-E66 PolarHBondContact OD2-N 3.45Å; D36-E66 VanDerWaalsContact OD2-N 3.12Å; L46-E66 WeakPolarHBondContact CD2-O 3.34Å; E66-N68 VanDerWaalsContact C-N 3.25Å; E66-N68 PolarHBondContact O-N 3.36Å; E66-N68 WeakPolarHBondContact OE1-CB 3.34Å; E66-N68 PolarHBondContact OE1-N 3.03Å; E66-N68 PolarHBondContact OE1-ND2 2.79Å; E66-V69 HydrophobicContact CG-CB 4.34Å; E66-V69 WeakPolarHBondContact O-CG1 3.31Å; E66-V69 PolarHBondContact O-N 2.94Å
67P97.3Very high96.5Very high18 Ų1847.7 Ų47.712%0.11724%0.238CC..THydrogen-bonded Turntrans-66.3-24.6-176.526.4-36000114L61 A65 A98L61-P67 HydrophobicContact CD2-CB 3.77Å; A65-P67 WeakPolarHBondContact O-CD 3.37Å; P67-A98 HydrophobicContact CB-CB 3.85Å
68N97.6Very high96.5Very high45 Ų4547.7 Ų47.724%0.24124%0.238CC..THydrogen-bonded Turntrans-100.416.2-174.4-61.9-62.2000113.5E66 Q70 G97 S99 I102E66-N68 VanDerWaalsContact C-N 3.25Å; E66-N68 PolarHBondContact O-N 3.36Å; E66-N68 WeakPolarHBondContact OE1-CB 3.34Å; E66-N68 PolarHBondContact OE1-N 3.03Å; E66-N68 PolarHBondContact OE1-ND2 2.79Å; N68-Q70 PolarHBondContact O-N 3.29Å; N68-G97 PolarHBondContact ND2-O 2.95Å; N68-S99 WeakPolarHBondContact OD1-CB 3.38Å; N68-S99 PolarHBondContact OD1-N 3.1Å; N68-I102 HydrophobicContact CB-CD1 3.69Å; N68-I102 WeakPolarHBondContact OD1-CD1 3.28Å
69V96.5Very high96.6Very high27 Ų2743.2 Ų43.216%0.16422%0.222CC..  trans-56129179.463.20000110.9T44 L46 Q47 E66 T76 P77T44-V69 HydrophobicContact CG2-CG2 4.19Å; L46-V69 HydrophobicContact CD2-CG1 4.48Å; Q47-V69 HydrophobicContact CG-CB 4.37Å; Q47-V69 HydrophobicContact CG-CG1 3.45Å; Q47-V69 VanDerWaalsContact CG-CG1 3.45Å; Q47-V69 HydrophobicContact CG-CG2 4.06Å; E66-V69 HydrophobicContact CG-CB 4.34Å; E66-V69 WeakPolarHBondContact O-CG1 3.31Å; E66-V69 PolarHBondContact O-N 2.94Å; V69-T76 WeakPolarHBondContact O-CA 3.41Å; V69-P77 HydrophobicContact CG1-CG 3.94Å; V69-P77 WeakPolarHBondContact O-CD 3.32Å
70Q95.8Very high96.6Very high99 Ų9944 Ų4446%0.46323%0.225SC..  trans-105.9141.8179.6-70.7-175-71.900111Q47 N68 G74 I75 T76 I102Q47-Q70 PolarHBondContact NE2-O 3.36Å; Q47-Q70 VanDerWaalsContact NE2-O 3.16Å; N68-Q70 PolarHBondContact O-N 3.29Å; Q70-G74 PolarHBondContact NE2-O 3.41Å; Q70-I75 WeakPolarHBondContact CA-O 3.1Å; Q70-T76 HydrophobicContact CG-CG2 3.68Å; Q70-I102 HydrophobicContact CG-CG2 4.34Å
71D93.8Very high96.5Very high33 Ų3344 Ų4418%0.17623%0.225CC..  trans-83.3-177.2164.783.2-3.9000111.4R43 H73 G74 I75R43-D71 IonicContact NH2-OD2 2.86Å; D71-H73 PolarHBondContact O-N 2.81Å; D71-H73 VanDerWaalsContact OD1-CA 3.31Å; D71-H73 WeakPolarHBondContact OD1-CA 3.37Å; D71-H73 WeakPolarHBondContact OD1-CB 3.47Å; D71-H73 PolarHBondContact OD1-N 3.2Å; D71-G74 PolarHBondContact O-N 3.21Å; D71-G74 PolarHBondContact OD1-N 3.25Å; D71-I75 PolarHBondContact N-O 3.36Å; D71-I75 WeakPolarHBondContact OD1-CB 3.24Å; D71-I75 PolarHBondContact OD1-N 3.05Å
72K93.3Very high96.6Very high186 Ų18643.3 Ų43.381%0.80922%0.222SC*.THydrogen-bonded Turntrans-61.7-14.418069.6-175.6-176.1-177.50114.7
73H95.1Very high96.6Very high68 Ų6841.9 Ų41.932%0.31522%0.215SC..THydrogen-bonded Turntrans-102.37.9177.8-61.1-58.5000111.9D71 I75 Q105D71-H73 PolarHBondContact O-N 2.81Å; D71-H73 VanDerWaalsContact OD1-CA 3.31Å; D71-H73 WeakPolarHBondContact OD1-CA 3.37Å; D71-H73 WeakPolarHBondContact OD1-CB 3.47Å; D71-H73 PolarHBondContact OD1-N 3.2Å; H73-I75 HydrophobicContact CB-CG1 3.91Å; H73-I75 PolarHBondContact O-N 2.84Å; H73-Q105 HydrophobicContact CB-CG 4.28Å; H73-Q105 VanDerWaalsContact ND1-CD 3.32Å; H73-Q105 PolarHBondContact ND1-NE2 3.45Å; H73-Q105 PolarHBondContact ND1-OE1 2.95Å; H73-Q105 WeakPolarHBondContact O-CB 3.49Å; H73-Q105 PolarHBondContact O-N 2.72Å
74G95.8Very high96.6Very high14 Ų1440.2 Ų40.214%0.14421%0.213CC..  trans74.47-176.200000113.7Q70 D71Q70-G74 PolarHBondContact NE2-O 3.41Å; D71-G74 PolarHBondContact O-N 3.21Å; D71-G74 PolarHBondContact OD1-N 3.25Å
75I96.9Very high96.6Very high31 Ų3139 Ų3916%0.15920%0.2CC..  trans-73.7128.6-177.6-59.2-66.9000108.9Q70 D71 H73 H79 D80 D104Q70-I75 WeakPolarHBondContact CA-O 3.1Å; D71-I75 PolarHBondContact N-O 3.36Å; D71-I75 WeakPolarHBondContact OD1-CB 3.24Å; D71-I75 PolarHBondContact OD1-N 3.05Å; H73-I75 HydrophobicContact CB-CG1 3.91Å; H73-I75 PolarHBondContact O-N 2.84Å; I75-H79 HydrophobicContact CD1-CB 4.33Å; I75-H79 HydrophobicContact CG2-CB 3.81Å; I75-D80 WeakPolarHBondContact CG2-OD1 3.28Å; I75-D104 HydrophobicContact CD1-CB 3.64Å
76T97.7Very high96.6Very high1 Ų143 Ų431%0.00622%0.217CC..  trans-104163.9174.967.50000110.6V69 Q70 V78 H79 D80 I102V69-T76 WeakPolarHBondContact O-CA 3.41Å; Q70-T76 HydrophobicContact CG-CG2 3.68Å; T76-V78 PolarHBondContact O-N 3.09Å; T76-V78 VanDerWaalsContact O-N 3.07Å; T76-V78 PolarHBondContact OG1-N 3.02Å; T76-H79 PolarHBondContact N-ND1 2.8Å; T76-H79 VanDerWaalsContact N-ND1 3.2Å; T76-H79 WeakPolarHBondContact O-CA 3.33Å; T76-H79 WeakPolarHBondContact O-CB 3.36Å; T76-H79 PolarHBondContact O-N 3.48Å; T76-H79 PolarHBondContact OG1-N 3.31Å; T76-H79 PolarHBondContact OG1-ND1 3.5Å; T76-D80 PolarHBondContact O-N 3.49Å; T76-I102 HydrophobicContact CG2-CB 4.02Å; T76-I102 HydrophobicContact CG2-CD1 3.89Å; T76-I102 HydrophobicContact CG2-CG2 3.6Å
77P97.3Very high96.6Very high0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-52.8-30.8172.7-28.835.5000114L46 V69 D80 A81 L93L46-P77 HydrophobicContact CD2-CB 4.46Å; L46-P77 HydrophobicContact CD2-CG 3.81Å; L46-P77 HydrophobicContact CG-CB 4.27Å; L46-P77 HydrophobicContact CG-CG 3.8Å; V69-P77 HydrophobicContact CG1-CG 3.94Å; V69-P77 WeakPolarHBondContact O-CD 3.32Å; P77-D80 PolarHBondContact O-N 2.94Å; P77-A81 WeakPolarHBondContact O-CB 3.37Å; P77-A81 PolarHBondContact O-N 3.28Å; P77-L93 HydrophobicContact CB-CD1 3.84Å; P77-L93 HydrophobicContact CB-CD2 3.67Å; P77-L93 HydrophobicContact CB-CG 4.45Å; P77-L93 WeakPolarHBondContact O-CD1 3.27Å
78V97.9Very high96.6Very high0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-68.4-36.3175.9178.60000111.6T76 A82 L90 L93 A98 V100 P110T76-V78 PolarHBondContact O-N 3.09Å; T76-V78 VanDerWaalsContact O-N 3.07Å; T76-V78 PolarHBondContact OG1-N 3.02Å; V78-A82 VanDerWaalsContact O-CB 3.22Å; V78-A82 WeakPolarHBondContact O-CB 3.44Å; V78-A82 PolarHBondContact O-N 3.25Å; V78-L90 HydrophobicContact CB-CD1 4.4Å; V78-L90 HydrophobicContact CG1-CD1 3.62Å; V78-L93 HydrophobicContact CG2-CB 4.12Å; V78-L93 HydrophobicContact CG2-CD1 4.27Å; V78-A98 HydrophobicContact CG2-CB 3.38Å; V78-V100 HydrophobicContact CG1-CG1 4.07Å; V78-P110 HydrophobicContact CB-CG 4.23Å; V78-P110 HydrophobicContact CG1-CB 3.78Å; V78-P110 HydrophobicContact CG1-CG 3.6Å
79H98.3Very high96.6Very high1 Ų143.8 Ų43.81%0.00522%0.218CC..Hα-helixtrans-64.6-44.4172.9-69.191.3000111.2I75 T76 A82 Q83 I102 A108 P110 I113I75-H79 HydrophobicContact CD1-CB 4.33Å; I75-H79 HydrophobicContact CG2-CB 3.81Å; T76-H79 PolarHBondContact N-ND1 2.8Å; T76-H79 VanDerWaalsContact N-ND1 3.2Å; T76-H79 WeakPolarHBondContact O-CA 3.33Å; T76-H79 WeakPolarHBondContact O-CB 3.36Å; T76-H79 PolarHBondContact O-N 3.48Å; T76-H79 PolarHBondContact OG1-N 3.31Å; T76-H79 PolarHBondContact OG1-ND1 3.5Å; H79-A82 PolarHBondContact O-N 3.11Å; H79-Q83 WeakPolarHBondContact O-CB 3.34Å; H79-Q83 PolarHBondContact O-N 2.94Å; H79-I102 PolarHBondContact CE1-O 3.24Å; H79-I102 PolarHBondContact NE2-O 2.94Å; H79-A108 PolarHBondContact NE2-O 3.01Å; H79-P110 WeakPolarHBondContact NE2-CD 3.39Å; H79-I113 HydrophobicContact CB-CD1 4.08Å
80D96.9Very high96.6Very high33 Ų3342.5 Ų42.518%0.17621%0.211CC..Hα-helixtrans-63.6-43.4177.8-72.6-27.2000111.5M51 I75 T76 P77 A82 Q83 T84M51-D80 HydrophobicContact CE-CB 3.89Å; M51-D80 HydrophobicContact CG-CB 4.3Å; M51-D80 HydrophobicContact SD-CB 4.02Å; I75-D80 WeakPolarHBondContact CG2-OD1 3.28Å; T76-D80 PolarHBondContact O-N 3.49Å; P77-D80 PolarHBondContact O-N 2.94Å; D80-A82 VanDerWaalsContact C-N 3.31Å; D80-A82 PolarHBondContact O-N 2.82Å; D80-Q83 PolarHBondContact O-N 3.46Å; D80-T84 WeakPolarHBondContact O-CB 3.41Å; D80-T84 WeakPolarHBondContact O-CG2 3.49Å; D80-T84 PolarHBondContact O-N 3.47Å; D80-T84 PolarHBondContact O-OG1 3.16Å
81A96.9Very high96.7Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-63-38.417500000111.9M51 P77 T84 G85 F86 L90 L93M51-A81 HydrophobicContact SD-CB 4.49Å; P77-A81 WeakPolarHBondContact O-CB 3.37Å; P77-A81 PolarHBondContact O-N 3.28Å; A81-T84 PolarHBondContact O-OG1 3.22Å; A81-G85 PolarHBondContact O-N 3.41Å; A81-F86 PolarHBondContact O-N 3.41Å; A81-L90 HydrophobicContact CB-CB 4.03Å; A81-L90 HydrophobicContact CB-CD1 4.15Å; A81-L93 HydrophobicContact CB-CD1 4Å
82A97.7Very high96.9Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-68.9-34.5175.200000113.4V78 H79 D80 P110 A114 H119 V122 L126V78-A82 VanDerWaalsContact O-CB 3.22Å; V78-A82 WeakPolarHBondContact O-CB 3.44Å; V78-A82 PolarHBondContact O-N 3.25Å; H79-A82 PolarHBondContact O-N 3.11Å; D80-A82 VanDerWaalsContact C-N 3.31Å; D80-A82 PolarHBondContact O-N 2.82Å; A82-P110 HydrophobicContact CB-CB 3.87Å; A82-P110 WeakPolarHBondContact CB-O 3.37Å; A82-A114 HydrophobicContact CB-CB 4.21Å; A82-A114 WeakPolarHBondContact O-CA 3.23Å; A82-H119 PolarHBondContact O-CD2 3.48Å; A82-H119 VanDerWaalsContact O-CD2 3.29Å; A82-V122 HydrophobicContact CB-CG1 4.31Å; A82-L126 HydrophobicContact CB-CD1 4.22Å
83Q97.3Very high97.2Very high93 Ų9330.8 Ų30.844%0.43516%0.158SC..Hα-helixtrans-70.2-39.6175-172.9174.654.900112.3H79 D80 I113 E117 H119H79-Q83 WeakPolarHBondContact O-CB 3.34Å; H79-Q83 PolarHBondContact O-N 2.94Å; D80-Q83 PolarHBondContact O-N 3.46Å; Q83-I113 HydrophobicContact CB-CG2 3.68Å; Q83-I113 HydrophobicContact CG-CG2 4.07Å; Q83-E117 HydrophobicContact CG-CG 4.16Å; Q83-H119 PolarHBondContact O-CD2 2.77Å; Q83-H119 PolarHBondContact O-NE2 2.96Å
84T96.1Very high97.3Very high56 Ų5629.1 Ų29.134%0.34415%0.153SC..Hα-helixtrans-87.7-16.2-173.351.80000113.6M51 D80 A81 F86M51-T84 HydrophobicContact CB-CG2 4.46Å; M51-T84 HydrophobicContact CG-CG2 4.38Å; D80-T84 WeakPolarHBondContact O-CB 3.41Å; D80-T84 WeakPolarHBondContact O-CG2 3.49Å; D80-T84 PolarHBondContact O-N 3.47Å; D80-T84 PolarHBondContact O-OG1 3.16Å; A81-T84 PolarHBondContact O-OG1 3.22Å; T84-F86 VanDerWaalsContact OG1-CD2 3.32Å; T84-F86 WeakPolarHBondContact OG1-CD2 3.44Å
85G96.3Very high97.4Very high17 Ų1734.4 Ų34.418%0.17517%0.174CC..THydrogen-bonded Turntrans81.710.8178.200000114.3A81 L87 H119A81-G85 PolarHBondContact O-N 3.41Å; G85-L87 PolarHBondContact O-N 3.07Å; G85-H119 VanDerWaalsContact CA-CD2 3.46Å; G85-H119 WeakPolarHBondContact CA-CD2 3.43Å; G85-H119 VanDerWaalsContact CA-CG 3.45Å; G85-H119 PolarHBondContact N-CD2 3.45Å; G85-H119 PolarHBondContact N-NE2 3.04Å
86F96.8Very high97.4Very high92 Ų9235.9 Ų35.940%0.40418%0.179SC..  trans-81.181.2-179.1-68.6-65.1000111.7M51 A81 T84 E88 T89 L90M51-F86 VanDerWaalsContact C-CD2 3.43Å; M51-F86 HydrophobicContact CB-CB 4.49Å; M51-F86 HydrophobicContact CB-CD2 3.38Å; M51-F86 HydrophobicContact CB-CE2 3.94Å; M51-F86 HydrophobicContact CB-CG 4.27Å; M51-F86 WeakPolarHBondContact O-CB 3.18Å; A81-F86 PolarHBondContact O-N 3.41Å; T84-F86 VanDerWaalsContact OG1-CD2 3.32Å; T84-F86 WeakPolarHBondContact OG1-CD2 3.44Å; F86-E88 VanDerWaalsContact C-N 3.29Å; F86-E88 PolarHBondContact O-N 2.95Å; F86-T89 PolarHBondContact O-N 3.4Å; F86-L90 PolarHBondContact O-N 3.47Å
87L97.1Very high97.4Very high39 Ų3938.2 Ų38.220%0.20420%0.204CC..Hα-helixtrans-54-40.3-178.5177.160.9000113.6G85 T89 L90 Q91 D121 V122 F125G85-L87 PolarHBondContact O-N 3.07Å; L87-T89 PolarHBondContact O-N 3.37Å; L87-L90 HydrophobicContact CD1-CD2 4.36Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.32Å; L87-Q91 HydrophobicContact CD1-CG 4.16Å; L87-Q91 HydrophobicContact CG-CG 4.43Å; L87-Q91 WeakPolarHBondContact O-CB 3.48Å; L87-Q91 VanDerWaalsContact O-CG 3.3Å; L87-Q91 WeakPolarHBondContact O-CG 3.49Å; L87-Q91 PolarHBondContact O-N 2.73Å; L87-D121 HydrophobicContact CD2-CB 4.08Å; L87-V122 HydrophobicContact CB-CG2 4.17Å; L87-V122 HydrophobicContact CD1-CG2 4.48Å; L87-F125 HydrophobicContact CD1-CB 3.57Å; L87-F125 HydrophobicContact CD1-CD1 4.24Å; L87-F125 HydrophobicContact CD1-CD2 4.24Å; L87-F125 HydrophobicContact CD1-CG 3.76Å
88E97.4Very high97.4Very high129 Ų12938.5 Ų38.560%0.60321%0.206SC*.Hα-helixtrans-63.8-42.4-178.9-65.6162.917800111.7F86 Q91 V92F86-E88 VanDerWaalsContact C-N 3.29Å; F86-E88 PolarHBondContact O-N 2.95Å; E88-Q91 PolarHBondContact O-N 3.14Å; E88-V92 WeakPolarHBondContact O-CG2 3.23Å; E88-V92 PolarHBondContact O-N 3.18Å; E88-V92 VanDerWaalsContact O-N 3.09Å
89T97.2Very high97.4Very high1 Ų140.7 Ų40.71%0.00622%0.221CC..Hα-helixtrans-69.6-38.6176.2-640000111M49 M51 S54 A57 F86 L87 Q91 V92 L93M49-T89 HydrophobicContact CE-CG2 3.77Å; M51-T89 VanDerWaalsContact O-CB 3.23Å; M51-T89 WeakPolarHBondContact O-CB 3.5Å; M51-T89 PolarHBondContact O-OG1 3.15Å; M51-T89 HydrophobicContact SD-CG2 4.3Å; S54-T89 WeakPolarHBondContact CA-OG1 3.38Å; S54-T89 PolarHBondContact N-OG1 3.3Å; A57-T89 HydrophobicContact CB-CG2 4.01Å; F86-T89 PolarHBondContact O-N 3.4Å; L87-T89 PolarHBondContact O-N 3.37Å; T89-Q91 VanDerWaalsContact C-N 3.35Å; T89-Q91 PolarHBondContact O-N 3.17Å; T89-V92 PolarHBondContact O-N 2.9Å; T89-L93 HydrophobicContact CG2-CD1 4.27Å; T89-L93 VanDerWaalsContact O-CG 3.32Å; T89-L93 WeakPolarHBondContact O-CG 3.48Å; T89-L93 PolarHBondContact O-N 3.2Å
90L97.9Very high97.4Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-58.3-46173-179.963.5000112.2V78 A81 F86 L87 V92 L93 V94 V122 F125 L126V78-L90 HydrophobicContact CB-CD1 4.4Å; V78-L90 HydrophobicContact CG1-CD1 3.62Å; A81-L90 HydrophobicContact CB-CB 4.03Å; A81-L90 HydrophobicContact CB-CD1 4.15Å; F86-L90 PolarHBondContact O-N 3.47Å; L87-L90 HydrophobicContact CD1-CD2 4.36Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.32Å; L90-V92 VanDerWaalsContact C-N 3.35Å; L90-V92 PolarHBondContact O-N 2.84Å; L90-L93 PolarHBondContact O-N 3.07Å; L90-V94 HydrophobicContact CD1-CG2 4.43Å; L90-V94 WeakPolarHBondContact O-CG2 3.33Å; L90-V94 PolarHBondContact O-N 3.12Å; L90-V122 HydrophobicContact CD2-CB 4.24Å; L90-V122 HydrophobicContact CD2-CG1 3.44Å; L90-V122 VanDerWaalsContact CD2-CG1 3.44Å; L90-V122 HydrophobicContact CD2-CG2 4.17Å; L90-F125 HydrophobicContact CD2-CD1 3.69Å; L90-F125 HydrophobicContact CD2-CE1 4.26Å; L90-F125 HydrophobicContact CG-CD1 3.95Å; L90-F125 HydrophobicContact CG-CE1 4Å; L90-L126 HydrophobicContact CD1-CD2 4.25Å; L90-L126 HydrophobicContact CD2-CD1 4.28Å; L90-L126 HydrophobicContact CD2-CD2 4.08Å; L90-L126 HydrophobicContact CD2-CG 4.01Å
91Q98Very high97.4Very high67 Ų6742.6 Ų42.631%0.31323%0.232SC..Hα-helixtrans-58.6-47.7176-76.2172.7-8.200110.9L87 E88 T89 L93 V94 E95 F125L87-Q91 HydrophobicContact CD1-CG 4.16Å; L87-Q91 HydrophobicContact CG-CG 4.43Å; L87-Q91 WeakPolarHBondContact O-CB 3.48Å; L87-Q91 VanDerWaalsContact O-CG 3.3Å; L87-Q91 WeakPolarHBondContact O-CG 3.49Å; L87-Q91 PolarHBondContact O-N 2.73Å; E88-Q91 PolarHBondContact O-N 3.14Å; T89-Q91 VanDerWaalsContact C-N 3.35Å; T89-Q91 PolarHBondContact O-N 3.17Å; Q91-L93 PolarHBondContact O-N 2.79Å; Q91-V94 PolarHBondContact O-N 2.96Å; Q91-E95 WeakPolarHBondContact O-CB 3.33Å; Q91-E95 VanDerWaalsContact O-CG 3.24Å; Q91-E95 WeakPolarHBondContact O-CG 3.48Å; Q91-E95 PolarHBondContact O-N 3.1Å; Q91-F125 HydrophobicContact CB-CZ 4.36Å; Q91-F125 HydrophobicContact CG-CD2 4.03Å; Q91-F125 HydrophobicContact CG-CE1 4.3Å; Q91-F125 HydrophobicContact CG-CE2 3.57Å; Q91-F125 HydrophobicContact CG-CZ 3.72Å
92V98.1Very high97.5Very high4 Ų444.2 Ų44.22%0.02424%0.24CC..Hα-helixtrans-58.3-45.2177.1169.60000112A57 R58 L61 E88 T89 L90 E95 H96A57-V92 HydrophobicContact CB-CG1 4.09Å; R58-V92 HydrophobicContact CB-CG1 3.91Å; L61-V92 HydrophobicContact CD1-CG1 3.81Å; E88-V92 WeakPolarHBondContact O-CG2 3.23Å; E88-V92 PolarHBondContact O-N 3.18Å; E88-V92 VanDerWaalsContact O-N 3.09Å; T89-V92 PolarHBondContact O-N 2.9Å; L90-V92 VanDerWaalsContact C-N 3.35Å; L90-V92 PolarHBondContact O-N 2.84Å; V92-E95 PolarHBondContact O-N 3.06Å; V92-H96 PolarHBondContact O-N 3.5Å; V92-H96 PolarHBondContact O-ND1 3.31Å
93L97.9Very high97.5Very high0 Ų048.7 Ų48.70%026%0.261CS..Hα-helixtrans-59.2-49.5177.4-71.1166.4000111.1L46 M49 L61 P77 V78 A81 T89 L90 Q91 H96 G97 A98L46-L93 HydrophobicContact CD1-CD2 4.16Å; L46-L93 HydrophobicContact CD2-CD2 4.36Å; L46-L93 HydrophobicContact CG-CD2 4.48Å; M49-L93 HydrophobicContact CE-CD2 4.25Å; L61-L93 HydrophobicContact CD1-CD2 4.17Å; P77-L93 HydrophobicContact CB-CD1 3.84Å; P77-L93 HydrophobicContact CB-CD2 3.67Å; P77-L93 HydrophobicContact CB-CG 4.45Å; P77-L93 WeakPolarHBondContact O-CD1 3.27Å; V78-L93 HydrophobicContact CG2-CB 4.12Å; V78-L93 HydrophobicContact CG2-CD1 4.27Å; A81-L93 HydrophobicContact CB-CD1 4Å; T89-L93 HydrophobicContact CG2-CD1 4.27Å; T89-L93 VanDerWaalsContact O-CG 3.32Å; T89-L93 WeakPolarHBondContact O-CG 3.48Å; T89-L93 PolarHBondContact O-N 3.2Å; L90-L93 PolarHBondContact O-N 3.07Å; Q91-L93 PolarHBondContact O-N 2.79Å; L93-H96 CarbonylContact O-C 3.53Å; L93-H96 PolarHBondContact O-N 2.99Å; L93-G97 PolarHBondContact O-N 3.26Å; L93-A98 VanDerWaalsContact C-CB 3.46Å; L93-A98 HydrophobicContact CB-CB 3.85Å; L93-A98 WeakPolarHBondContact O-CB 3.25Å; L93-A98 PolarHBondContact O-N 3.19Å
94V97.9Very high97.5Very high34 Ų3445 Ų4521%0.20625%0.245CC..Hα-helixtrans-66.9-38.3-178.7174.40000112L90 Q91 H96 G97 V100 F125L90-V94 HydrophobicContact CD1-CG2 4.43Å; L90-V94 WeakPolarHBondContact O-CG2 3.33Å; L90-V94 PolarHBondContact O-N 3.12Å; Q91-V94 PolarHBondContact O-N 2.96Å; V94-H96 PolarHBondContact O-N 3.25Å; V94-G97 PolarHBondContact O-N 2.95Å; V94-G97 VanDerWaalsContact O-N 3.1Å; V94-V100 HydrophobicContact CG2-CG1 3.59Å; V94-F125 HydrophobicContact CB-CE1 4.2Å; V94-F125 HydrophobicContact CB-CZ 4.25Å; V94-F125 HydrophobicContact CG1-CE1 4.45Å; V94-F125 HydrophobicContact CG1-CZ 4.31Å; V94-F125 HydrophobicContact CG2-CE1 3.97Å
95E97.6Very high97.6Very high125 Ų12547.9 Ų47.958%0.58425%0.254SS*.Hα-helixtrans-57.9-32173.6-77.9171.5-176.200112.5R58 Q91 V92R58-E95 IonicContact NH1-OE2 2.67Å; Q91-E95 WeakPolarHBondContact O-CB 3.33Å; Q91-E95 VanDerWaalsContact O-CG 3.24Å; Q91-E95 WeakPolarHBondContact O-CG 3.48Å; Q91-E95 PolarHBondContact O-N 3.1Å; V92-E95 PolarHBondContact O-N 3.06Å
96H97.9Very high97.6Very high61 Ų6150.5 Ų50.528%0.28226%0.264SS..THydrogen-bonded Turntrans-97.520.8179.4-6573.6000113L61 V92 L93 V94L61-H96 HydrophobicContact CB-CB 3.92Å; L61-H96 HydrophobicContact CD1-CB 3.75Å; L61-H96 HydrophobicContact CD2-CB 3.98Å; L61-H96 HydrophobicContact CG-CB 4.1Å; V92-H96 PolarHBondContact O-N 3.5Å; V92-H96 PolarHBondContact O-ND1 3.31Å; L93-H96 CarbonylContact O-C 3.53Å; L93-H96 PolarHBondContact O-N 2.99Å; V94-H96 PolarHBondContact O-N 3.25Å
97G96.8Very high97.6Very high50 Ų5046.5 Ų46.552%0.51525%0.249SC..THydrogen-bonded Turntrans87.316.3170.600000115.3N68 L93 V94 S99N68-G97 PolarHBondContact ND2-O 2.95Å; L93-G97 PolarHBondContact O-N 3.26Å; V94-G97 PolarHBondContact O-N 2.95Å; V94-G97 VanDerWaalsContact O-N 3.1Å; G97-S99 PolarHBondContact O-N 2.79Å
98A97.8Very high97.6Very high7 Ų745 Ų456%0.05824%0.242CC..  trans-67130.3169.600000110.9P67 V78 L93P67-A98 HydrophobicContact CB-CB 3.85Å; V78-A98 HydrophobicContact CG2-CB 3.38Å; L93-A98 VanDerWaalsContact C-CB 3.46Å; L93-A98 HydrophobicContact CB-CB 3.85Å; L93-A98 WeakPolarHBondContact O-CB 3.25Å; L93-A98 PolarHBondContact O-N 3.19Å
99S97.9Very high97.6Very high45 Ų4538.9 Ų38.932%0.31521%0.213SC..  trans-81130.6177.8178.20000110.9N68 G97 N101N68-S99 WeakPolarHBondContact OD1-CB 3.38Å; N68-S99 PolarHBondContact OD1-N 3.1Å; G97-S99 PolarHBondContact O-N 2.79Å; S99-N101 VanDerWaalsContact C-N 3.31Å; S99-N101 PolarHBondContact OG-N 3.23Å
100V97.9Very high97.7Very high8 Ų838.9 Ų38.95%0.04821%0.213CC..THydrogen-bonded Turntrans-89.52.2174.7-55.70000113.1V78 V94 P110 L126 R129V78-V100 HydrophobicContact CG1-CG1 4.07Å; V94-V100 HydrophobicContact CG2-CG1 3.59Å; V100-P110 WeakPolarHBondContact O-CD 3.38Å; V100-L126 HydrophobicContact CB-CD2 3.92Å; V100-L126 HydrophobicContact CG1-CD2 3.53Å; V100-R129 HydrophobicContact CG2-CB 3.75Å; V100-R129 WeakPolarHBondContact CG2-O 3.48Å
101N97.8Very high97.6Very high66 Ų6638.9 Ų38.935%0.35321%0.213SC..THydrogen-bonded Turntrans-114.110.8-176.7-67.5-48000113.2S99 L109 R129 S130 D131S99-N101 VanDerWaalsContact C-N 3.31Å; S99-N101 PolarHBondContact OG-N 3.23Å; N101-L109 WeakPolarHBondContact O-CD2 3.46Å; N101-R129 PolarHBondContact ND2-O 2.86Å; N101-S130 VanDerWaalsContact OD1-CA 3.28Å; N101-S130 WeakPolarHBondContact OD1-CA 3.36Å; N101-D131 PolarHBondContact OD1-N 3.2Å
102I98Very high97.6Very high34 Ų3435.8 Ų35.817%0.17420%0.199CC..  trans-72.6138.4170.2-66170.2000108.5N68 Q70 T76 H79 L109N68-I102 HydrophobicContact CB-CD1 3.69Å; N68-I102 WeakPolarHBondContact OD1-CD1 3.28Å; Q70-I102 HydrophobicContact CG-CG2 4.34Å; T76-I102 HydrophobicContact CG2-CB 4.02Å; T76-I102 HydrophobicContact CG2-CD1 3.89Å; T76-I102 HydrophobicContact CG2-CG2 3.6Å; H79-I102 PolarHBondContact CE1-O 3.24Å; H79-I102 PolarHBondContact NE2-O 2.94Å; I102-L109 WeakPolarHBondContact O-CD2 3.42Å
103Q97.6Very high97.6Very high95 Ų9536.2 Ų36.244%0.44420%0.201SC..  trans-96.3138.5-179.7-63.6168.624.600110.3L109 H134Q103-L109 HydrophobicContact CG-CD2 3.64Å; Q103-H134 PolarHBondContact NE2-CE1 3.15Å; Q103-H134 PolarHBondContact NE2-ND1 2.69Å
104D97.4Very high97.6Very high16 Ų1636.2 Ų36.29%0.08620%0.201CC..  trans-74.3179.6163.784.1-12.1000111.6I75 N106 G107 A108I75-D104 HydrophobicContact CD1-CB 3.64Å; D104-N106 PolarHBondContact O-N 3Å; D104-N106 VanDerWaalsContact O-N 3.1Å; D104-N106 VanDerWaalsContact OD1-C 3.3Å; D104-N106 VanDerWaalsContact OD1-CA 3.25Å; D104-N106 WeakPolarHBondContact OD1-CA 3.3Å; D104-N106 WeakPolarHBondContact OD1-CB 3.49Å; D104-N106 PolarHBondContact OD1-N 2.86Å; D104-N106 PolarHBondContact OD2-ND2 3.2Å; D104-N106 VanDerWaalsContact OD2-ND2 3.1Å; D104-G107 PolarHBondContact O-N 3.14Å; D104-G107 PolarHBondContact OD1-N 3.44Å; D104-A108 PolarHBondContact N-O 3.47Å; D104-A108 WeakPolarHBondContact OD1-CA 3.35Å; D104-A108 VanDerWaalsContact OD1-CB 3.31Å; D104-A108 WeakPolarHBondContact OD1-CB 3.37Å; D104-A108 PolarHBondContact OD1-N 2.85Å
105Q97.3Very high97.5Very high115 Ų11534.6 Ų34.654%0.53719%0.191SC..THydrogen-bonded Turntrans-59-19.417766.6-175.2-10.400114.6H73 G107H73-Q105 HydrophobicContact CB-CG 4.28Å; H73-Q105 VanDerWaalsContact ND1-CD 3.32Å; H73-Q105 PolarHBondContact ND1-NE2 3.45Å; H73-Q105 PolarHBondContact ND1-OE1 2.95Å; H73-Q105 WeakPolarHBondContact O-CB 3.49Å; H73-Q105 PolarHBondContact O-N 2.72Å; Q105-G107 VanDerWaalsContact C-N 3.32Å
106N96.3Very high97.4Very high73 Ų7336.1 Ų36.139%0.3919%0.191SC..THydrogen-bonded Turntrans-95.311.5176.1-51.6-62.1000111.5D104 A108 V137D104-N106 PolarHBondContact O-N 3Å; D104-N106 VanDerWaalsContact O-N 3.1Å; D104-N106 VanDerWaalsContact OD1-C 3.3Å; D104-N106 VanDerWaalsContact OD1-CA 3.25Å; D104-N106 WeakPolarHBondContact OD1-CA 3.3Å; D104-N106 WeakPolarHBondContact OD1-CB 3.49Å; D104-N106 PolarHBondContact OD1-N 2.86Å; D104-N106 PolarHBondContact OD2-ND2 3.2Å; D104-N106 VanDerWaalsContact OD2-ND2 3.1Å; N106-A108 PolarHBondContact O-N 3.28Å; N106-A108 VanDerWaalsContact O-N 3.14Å; N106-V137 VanDerWaalsContact C-CG1 3.4Å; N106-V137 HydrophobicContact CB-CG2 4.15Å; N106-V137 VanDerWaalsContact O-CG1 3.27Å; N106-V137 WeakPolarHBondContact O-CG1 3.46Å; N106-V137 VanDerWaalsContact O-CG2 3.23Å; N106-V137 WeakPolarHBondContact O-CG2 3.48Å; N106-V137 PolarHBondContact O-N 3.41Å
107G96.9Very high97.3Very high8 Ų837.4 Ų37.48%0.08220%0.197CC..SBendtrans64.113.9-173.600000112.6D104 Q105 H134 N136D104-G107 PolarHBondContact O-N 3.14Å; D104-G107 PolarHBondContact OD1-N 3.44Å; Q105-G107 VanDerWaalsContact C-N 3.32Å; G107-H134 PolarHBondContact O-CD2 3.01Å; G107-H134 PolarHBondContact O-NE2 3.26Å; G107-N136 WeakPolarHBondContact O-CA 3.2Å
108A97.7Very high97.2Very high6 Ų636.9 Ų36.95%0.0519%0.192CC..  trans-82.7131.9-179.800000109.5H79 D104 N106 H112H79-A108 PolarHBondContact NE2-O 3.01Å; D104-A108 PolarHBondContact N-O 3.47Å; D104-A108 WeakPolarHBondContact OD1-CA 3.35Å; D104-A108 VanDerWaalsContact OD1-CB 3.31Å; D104-A108 WeakPolarHBondContact OD1-CB 3.37Å; D104-A108 PolarHBondContact OD1-N 2.85Å; N106-A108 PolarHBondContact O-N 3.28Å; N106-A108 VanDerWaalsContact O-N 3.14Å; A108-H112 HydrophobicContact CB-CB 4.14Å
109L98.2Very high97.2Very high2 Ų238.8 Ų38.81%0.0120%0.199CC..  trans-78.9159.1164.5-56-175.8000110.7N101 I102 Q103 I111 H112 D131 H134N101-L109 WeakPolarHBondContact O-CD2 3.46Å; I102-L109 WeakPolarHBondContact O-CD2 3.42Å; Q103-L109 HydrophobicContact CG-CD2 3.64Å; L109-I111 HydrophobicContact CB-CG2 4.15Å; L109-I111 PolarHBondContact O-N 3.28Å; L109-I111 VanDerWaalsContact O-N 3.07Å; L109-H112 WeakPolarHBondContact CB-ND1 3.33Å; L109-H112 PolarHBondContact N-ND1 3.07Å; L109-H112 WeakPolarHBondContact O-CB 3.46Å; L109-H112 PolarHBondContact O-N 2.9Å; L109-H112 PolarHBondContact O-ND1 2.95Å; L109-D131 HydrophobicContact CD1-CB 4.31Å; L109-H134 HydrophobicContact CD1-CB 3.82Å; L109-H134 HydrophobicContact CG-CB 4.43Å
110P98.2Very high97Very high0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-49-37.1173.8-28.734.5000114V78 H79 A82 V100 H112 I113 A114 L126V78-P110 HydrophobicContact CB-CG 4.23Å; V78-P110 HydrophobicContact CG1-CB 3.78Å; V78-P110 HydrophobicContact CG1-CG 3.6Å; H79-P110 WeakPolarHBondContact NE2-CD 3.39Å; A82-P110 HydrophobicContact CB-CB 3.87Å; A82-P110 WeakPolarHBondContact CB-O 3.37Å; V100-P110 WeakPolarHBondContact O-CD 3.38Å; P110-H112 VanDerWaalsContact C-N 3.32Å; P110-H112 PolarHBondContact O-N 3.37Å; P110-I113 WeakPolarHBondContact O-CB 3.45Å; P110-I113 PolarHBondContact O-N 3.19Å; P110-I113 VanDerWaalsContact O-N 3.1Å; P110-A114 PolarHBondContact O-N 3.47Å; P110-L126 HydrophobicContact CB-CD1 4.14Å
111I97.4Very high96.8Very high0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-63.7-33.7178-162.9173.6000113.2L109 I113 A114 I115 L126 A127 L132 A142 L158L109-I111 HydrophobicContact CB-CG2 4.15Å; L109-I111 PolarHBondContact O-N 3.28Å; L109-I111 VanDerWaalsContact O-N 3.07Å; I111-I113 VanDerWaalsContact C-N 3.26Å; I111-I113 PolarHBondContact O-N 3.43Å; I111-A114 PolarHBondContact O-N 3.03Å; I111-I115 HydrophobicContact CG1-CD1 4.12Å; I111-I115 HydrophobicContact CG1-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CD1 3.48Å; I111-I115 WeakPolarHBondContact O-CG1 3.47Å; I111-I115 PolarHBondContact O-N 3.45Å; I111-L126 HydrophobicContact CB-CB 4.17Å; I111-L126 HydrophobicContact CB-CD1 4.28Å; I111-L126 HydrophobicContact CD1-CB 4.18Å; I111-L126 HydrophobicContact CG1-CB 4.09Å; I111-A127 HydrophobicContact CD1-CB 4.24Å; I111-L132 HydrophobicContact CD1-CD2 3.53Å; I111-A142 HydrophobicContact CG2-CB 4.15Å; I111-L158 HydrophobicContact CD1-CD2 3.7Å
112H97.5Very high96.8Very high3 Ų341.4 Ų41.41%0.01420%0.202CC..Hα-helixtrans-64.2-36.8175.1-61.890000111A108 L109 P110 R116 H134 A142A108-H112 HydrophobicContact CB-CB 4.14Å; L109-H112 WeakPolarHBondContact CB-ND1 3.33Å; L109-H112 PolarHBondContact N-ND1 3.07Å; L109-H112 WeakPolarHBondContact O-CB 3.46Å; L109-H112 PolarHBondContact O-N 2.9Å; L109-H112 PolarHBondContact O-ND1 2.95Å; P110-H112 VanDerWaalsContact C-N 3.32Å; P110-H112 PolarHBondContact O-N 3.37Å; H112-R116 WeakPolarHBondContact O-CG 3.22Å; H112-R116 PolarHBondContact O-N 3.37Å; H112-H134 AromaticContact CE1-CD2 4Å; H112-H134 PolarHBondContact NE2-O 3.33Å; H112-A142 PolarHBondContact NE2-N 3.1Å
113I97.3Very high96.7Very high12 Ų1239.8 Ų39.86%0.06219%0.194CC..Hα-helixtrans-70.2-48.9177.5-55.4-173.5000109.9H79 Q83 P110 I111 I115 R116 E117H79-I113 HydrophobicContact CB-CD1 4.08Å; Q83-I113 HydrophobicContact CB-CG2 3.68Å; Q83-I113 HydrophobicContact CG-CG2 4.07Å; P110-I113 WeakPolarHBondContact O-CB 3.45Å; P110-I113 PolarHBondContact O-N 3.19Å; P110-I113 VanDerWaalsContact O-N 3.1Å; I111-I113 VanDerWaalsContact C-N 3.26Å; I111-I113 PolarHBondContact O-N 3.43Å; I113-I115 VanDerWaalsContact C-N 3.25Å; I113-I115 PolarHBondContact O-N 3.24Å; I113-R116 WeakPolarHBondContact O-CB 3.4Å; I113-R116 PolarHBondContact O-N 3.37Å; I113-E117 HydrophobicContact CG2-CG 4.21Å; I113-E117 WeakPolarHBondContact O-CG 3.37Å; I113-E117 PolarHBondContact O-N 2.58Å
114A97.3Very high96.6Very high0 Ų039.4 Ų39.40%019%0.192CC..Hα-helixtrans-55.3-40.5178.300000112.9A82 P110 I111 E117 G118 H119 V122 V123 L126A82-A114 HydrophobicContact CB-CB 4.21Å; A82-A114 WeakPolarHBondContact O-CA 3.23Å; P110-A114 PolarHBondContact O-N 3.47Å; I111-A114 PolarHBondContact O-N 3.03Å; A114-E117 PolarHBondContact O-N 3.44Å; A114-G118 PolarHBondContact O-N 2.92Å; A114-H119 PolarHBondContact O-N 2.88Å; A114-V122 HydrophobicContact CB-CB 4.29Å; A114-V122 HydrophobicContact CB-CG1 3.64Å; A114-V123 HydrophobicContact CB-CG2 3.73Å; A114-L126 HydrophobicContact CB-CD1 4.35Å
115I96.6Very high96.5Very high0 Ų040.1 Ų40.10%019%0.194CC..Hα-helixtrans-65.1-44.4176.3-67.2164.6000111.2I111 I113 E117 G118 V123 A142 V145 A146 L149 M154 L158I111-I115 HydrophobicContact CG1-CD1 4.12Å; I111-I115 HydrophobicContact CG1-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CD1 3.48Å; I111-I115 WeakPolarHBondContact O-CG1 3.47Å; I111-I115 PolarHBondContact O-N 3.45Å; I113-I115 VanDerWaalsContact C-N 3.25Å; I113-I115 PolarHBondContact O-N 3.24Å; I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 3.2Å; I115-G118 PolarHBondContact O-N 3Å; I115-V123 HydrophobicContact CB-CG2 4.46Å; I115-V123 HydrophobicContact CG1-CG1 4.18Å; I115-V123 HydrophobicContact CG1-CG2 3.6Å; I115-A142 HydrophobicContact CD1-CB 3.75Å; I115-A142 WeakPolarHBondContact CD1-O 3.45Å; I115-V145 HydrophobicContact CB-CG1 4.37Å; I115-V145 HydrophobicContact CG2-CB 4.33Å; I115-V145 HydrophobicContact CG2-CG1 3.8Å; I115-A146 HydrophobicContact CG2-CB 3.74Å; I115-L149 HydrophobicContact CG2-CD1 4.14Å; I115-M154 HydrophobicContact CB-SD 4.32Å; I115-M154 HydrophobicContact CG1-SD 4.33Å; I115-M154 HydrophobicContact CG2-SD 4.15Å; I115-L158 HydrophobicContact CD1-CD1 3.75Å; I115-L158 HydrophobicContact CD1-CD2 4.44Å
116R95.9Very high96.5Very high158 Ų15834.6 Ų34.660%0.59617%0.168SC*.Hα-helixtrans-62.6-36.3178.9-81.217654.3-166.5-9.2113H112 I113 G118 V145 L149H112-R116 WeakPolarHBondContact O-CG 3.22Å; H112-R116 PolarHBondContact O-N 3.37Å; I113-R116 WeakPolarHBondContact O-CB 3.4Å; I113-R116 PolarHBondContact O-N 3.37Å; R116-G118 VanDerWaalsContact C-N 3.35Å; R116-V145 HydrophobicContact CG-CG1 3.75Å; R116-L149 HydrophobicContact CG-CD1 4.44Å
117E96Very high96.4Very high88 Ų8831.2 Ų31.241%0.41115%0.151SC..Hα-helixtrans-86.9-7.7-179.7-57.3-57.4141.600112.8Q83 I113 A114 I115 H119Q83-E117 HydrophobicContact CG-CG 4.16Å; I113-E117 HydrophobicContact CG2-CG 4.21Å; I113-E117 WeakPolarHBondContact O-CG 3.37Å; I113-E117 PolarHBondContact O-N 2.58Å; A114-E117 PolarHBondContact O-N 3.44Å; I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 3.2Å; E117-H119 VanDerWaalsContact CB-CD2 3.45Å; E117-H119 WeakPolarHBondContact CB-CD2 3.31Å; E117-H119 WeakPolarHBondContact CB-NE2 3.4Å
118G94.9Very high96.2Very high38 Ų3834.2 Ų34.239%0.39217%0.169SC..THydrogen-bonded Turntrans82.514.7175.100000115.4A114 I115 R116 R120A114-G118 PolarHBondContact O-N 2.92Å; I115-G118 PolarHBondContact O-N 3Å; R116-G118 VanDerWaalsContact C-N 3.35Å; G118-R120 PolarHBondContact O-N 3.33Å
119H96.1Very high96.1Very high48 Ų4839.3 Ų39.322%0.22219%0.186CC..  trans-81.380.6-175.2-59.8-46.8000111.4A82 Q83 G85 A114 E117 D121 V122 V123A82-H119 PolarHBondContact O-CD2 3.48Å; A82-H119 VanDerWaalsContact O-CD2 3.29Å; Q83-H119 PolarHBondContact O-CD2 2.77Å; Q83-H119 PolarHBondContact O-NE2 2.96Å; G85-H119 VanDerWaalsContact CA-CD2 3.46Å; G85-H119 WeakPolarHBondContact CA-CD2 3.43Å; G85-H119 VanDerWaalsContact CA-CG 3.45Å; G85-H119 PolarHBondContact N-CD2 3.45Å; G85-H119 PolarHBondContact N-NE2 3.04Å; A114-H119 PolarHBondContact O-N 2.88Å; E117-H119 VanDerWaalsContact CB-CD2 3.45Å; E117-H119 WeakPolarHBondContact CB-CD2 3.31Å; E117-H119 WeakPolarHBondContact CB-NE2 3.4Å; H119-D121 PolarHBondContact O-N 2.84Å; H119-V122 HydrophobicContact CB-CB 3.96Å; H119-V122 HydrophobicContact CB-CG2 4.14Å; H119-V122 WeakPolarHBondContact O-CB 3.31Å; H119-V122 PolarHBondContact O-N 3.28Å; H119-V123 WeakPolarHBondContact O-CG2 3.36Å; H119-V123 PolarHBondContact O-N 2.69Å
120R94Very high95.9Very high103 Ų10339.9 Ų39.939%0.38919%0.191SC..Hα-helixtrans-56-45.8-173.3-177.4-175.5-174147.114.1113.8G118 V122 V123 E124 D153G118-R120 PolarHBondContact O-N 3.33Å; R120-V122 VanDerWaalsContact C-N 3.3Å; R120-V122 PolarHBondContact O-N 2.96Å; R120-V123 WeakPolarHBondContact O-CB 3.46Å; R120-V123 PolarHBondContact O-N 3.11Å; R120-V123 VanDerWaalsContact O-N 3.15Å; R120-E124 HydrophobicContact CG-CG 4.49Å; R120-E124 WeakPolarHBondContact CG-OE1 3.32Å; R120-E124 IonicContact CZ-OE1 3.71Å; R120-E124 IonicContact NE-OE1 2.73Å; R120-E124 PolarHBondContact NE-OE1 3.28Å; R120-E124 WeakPolarHBondContact O-CG 3.41Å; R120-E124 PolarHBondContact O-N 3.39Å; R120-D153 IonicContact CZ-OD2 3.19Å; R120-D153 IonicContact NH1-OD2 2.81Å; R120-D153 PolarHBondContact NH1-OD2 2.98Å; R120-D153 IonicContact NH2-OD2 2.71Å
121D95.5Very high95.8Very high71 Ų7143.6 Ų43.638%0.3821%0.211SC..Hα-helixtrans-62.5-38.8-179.662.5-27.9000111.8L87 H119 F125L87-D121 HydrophobicContact CD2-CB 4.08Å; H119-D121 PolarHBondContact O-N 2.84Å; D121-F125 PolarHBondContact O-N 3.35Å
122V97.1Very high95.5Very high0 Ų044.4 Ų44.40%022%0.215CC..Hα-helixtrans-66.4-42.9171.21720000111.6A82 L87 L90 A114 H119 R120 E124 F125 L126A82-V122 HydrophobicContact CB-CG1 4.31Å; L87-V122 HydrophobicContact CB-CG2 4.17Å; L87-V122 HydrophobicContact CD1-CG2 4.48Å; L90-V122 HydrophobicContact CD2-CB 4.24Å; L90-V122 HydrophobicContact CD2-CG1 3.44Å; L90-V122 VanDerWaalsContact CD2-CG1 3.44Å; L90-V122 HydrophobicContact CD2-CG2 4.17Å; A114-V122 HydrophobicContact CB-CB 4.29Å; A114-V122 HydrophobicContact CB-CG1 3.64Å; H119-V122 HydrophobicContact CB-CB 3.96Å; H119-V122 HydrophobicContact CB-CG2 4.14Å; H119-V122 WeakPolarHBondContact O-CB 3.31Å; H119-V122 PolarHBondContact O-N 3.28Å; R120-V122 VanDerWaalsContact C-N 3.3Å; R120-V122 PolarHBondContact O-N 2.96Å; V122-E124 PolarHBondContact O-N 3.12Å; V122-F125 PolarHBondContact O-N 3.15Å; V122-L126 HydrophobicContact CG1-CD1 3.64Å; V122-L126 HydrophobicContact CG1-CG 4.13Å; V122-L126 WeakPolarHBondContact O-CB 3.5Å; V122-L126 WeakPolarHBondContact O-CG 3.3Å; V122-L126 PolarHBondContact O-N 2.81Å
123V96.1Very high95.3Very high0 Ų052.5 Ų52.50%025%0.25CS..Hα-helixtrans-60.7-45.5176.1173.30000111A114 I115 H119 R120 F125 L126 A127 M154 L158A114-V123 HydrophobicContact CB-CG2 3.73Å; I115-V123 HydrophobicContact CB-CG2 4.46Å; I115-V123 HydrophobicContact CG1-CG1 4.18Å; I115-V123 HydrophobicContact CG1-CG2 3.6Å; H119-V123 WeakPolarHBondContact O-CG2 3.36Å; H119-V123 PolarHBondContact O-N 2.69Å; R120-V123 WeakPolarHBondContact O-CB 3.46Å; R120-V123 PolarHBondContact O-N 3.11Å; R120-V123 VanDerWaalsContact O-N 3.15Å; V123-F125 VanDerWaalsContact C-N 3.27Å; V123-F125 PolarHBondContact O-N 3.31Å; V123-L126 PolarHBondContact O-N 3.38Å; V123-A127 VanDerWaalsContact O-CB 3.23Å; V123-A127 WeakPolarHBondContact O-CB 3.23Å; V123-A127 PolarHBondContact O-N 3.23Å; V123-M154 HydrophobicContact CG2-SD 4.13Å; V123-L158 HydrophobicContact CG1-CD2 4.09Å; V123-L158 HydrophobicContact CG1-CG 4.37Å
124E94.7Very high95.2Very high86 Ų8653.5 Ų53.540%0.40225%0.254SS..Hα-helixtrans-61-37.4176.9-73.9174.2-172.200111.8R120 V122 P128 S157R120-E124 HydrophobicContact CG-CG 4.49Å; R120-E124 WeakPolarHBondContact CG-OE1 3.32Å; R120-E124 IonicContact CZ-OE1 3.71Å; R120-E124 IonicContact NE-OE1 2.73Å; R120-E124 PolarHBondContact NE-OE1 3.28Å; R120-E124 WeakPolarHBondContact O-CG 3.41Å; R120-E124 PolarHBondContact O-N 3.39Å; V122-E124 PolarHBondContact O-N 3.12Å; E124-P128 VanDerWaalsContact O-CD 3.3Å; E124-P128 WeakPolarHBondContact O-CD 3.23Å; E124-S157 PolarHBondContact OE1-OG 2.71Å
125F96Very high95.1Very high31 Ų3155.5 Ų55.514%0.13627%0.271CS..Hα-helixtrans-69.6-41.4173.9-177.9-99.1000113L87 L90 Q91 V94 D121 V122 V123 R129L87-F125 HydrophobicContact CD1-CB 3.57Å; L87-F125 HydrophobicContact CD1-CD1 4.24Å; L87-F125 HydrophobicContact CD1-CD2 4.24Å; L87-F125 HydrophobicContact CD1-CG 3.76Å; L90-F125 HydrophobicContact CD2-CD1 3.69Å; L90-F125 HydrophobicContact CD2-CE1 4.26Å; L90-F125 HydrophobicContact CG-CD1 3.95Å; L90-F125 HydrophobicContact CG-CE1 4Å; Q91-F125 HydrophobicContact CB-CZ 4.36Å; Q91-F125 HydrophobicContact CG-CD2 4.03Å; Q91-F125 HydrophobicContact CG-CE1 4.3Å; Q91-F125 HydrophobicContact CG-CE2 3.57Å; Q91-F125 HydrophobicContact CG-CZ 3.72Å; V94-F125 HydrophobicContact CB-CE1 4.2Å; V94-F125 HydrophobicContact CB-CZ 4.25Å; V94-F125 HydrophobicContact CG1-CE1 4.45Å; V94-F125 HydrophobicContact CG1-CZ 4.31Å; V94-F125 HydrophobicContact CG2-CE1 3.97Å; D121-F125 PolarHBondContact O-N 3.35Å; V122-F125 PolarHBondContact O-N 3.15Å; V123-F125 VanDerWaalsContact C-N 3.27Å; V123-F125 PolarHBondContact O-N 3.31Å; F125-R129 PolarHBondContact O-NH1 3.15Å
126L96.1Very high95Very high0 Ų056.6 Ų56.60%028%0.277CS..Hα-helixtrans-79.3-31.8-176-71.2177.6000113.4A82 L90 V100 P110 I111 A114 V122 V123 R129 S130A82-L126 HydrophobicContact CB-CD1 4.22Å; L90-L126 HydrophobicContact CD1-CD2 4.25Å; L90-L126 HydrophobicContact CD2-CD1 4.28Å; L90-L126 HydrophobicContact CD2-CD2 4.08Å; L90-L126 HydrophobicContact CD2-CG 4.01Å; V100-L126 HydrophobicContact CB-CD2 3.92Å; V100-L126 HydrophobicContact CG1-CD2 3.53Å; P110-L126 HydrophobicContact CB-CD1 4.14Å; I111-L126 HydrophobicContact CB-CB 4.17Å; I111-L126 HydrophobicContact CB-CD1 4.28Å; I111-L126 HydrophobicContact CD1-CB 4.18Å; I111-L126 HydrophobicContact CG1-CB 4.09Å; A114-L126 HydrophobicContact CB-CD1 4.35Å; V122-L126 HydrophobicContact CG1-CD1 3.64Å; V122-L126 HydrophobicContact CG1-CG 4.13Å; V122-L126 WeakPolarHBondContact O-CB 3.5Å; V122-L126 WeakPolarHBondContact O-CG 3.3Å; V122-L126 PolarHBondContact O-N 2.81Å; V123-L126 PolarHBondContact O-N 3.38Å; L126-R129 CarbonylContact O-C 3.58Å; L126-R129 PolarHBondContact O-N 3.06Å; L126-S130 WeakPolarHBondContact O-CB 3.37Å; L126-S130 PolarHBondContact O-N 2.94Å; L126-S130 PolarHBondContact O-OG 3.45Å
127A94.6Very high95Very high2 Ų254.1 Ų54.12%0.01728%0.279CS..G310 helixtrans-50.9-50.4-173.400000114.5I111 V123 R129 L158 H161I111-A127 HydrophobicContact CD1-CB 4.24Å; V123-A127 VanDerWaalsContact O-CB 3.23Å; V123-A127 WeakPolarHBondContact O-CB 3.23Å; V123-A127 PolarHBondContact O-N 3.23Å; A127-R129 PolarHBondContact O-N 3.49Å; A127-L158 HydrophobicContact CB-CD2 4.16Å; A127-H161 HydrophobicContact CB-CB 4.32Å
128P94.1Very high95Very high71 Ų7154.1 Ų54.146%0.46129%0.289SS..G310 helixtrans-73.5-8179.229.2-36.4000114.3E124E124-P128 VanDerWaalsContact O-CD 3.3Å; E124-P128 WeakPolarHBondContact O-CD 3.23Å
129R94.4Very high95Very high112 Ų11254.9 Ų54.942%0.42330%0.296SS..G310 helixtrans-109.6-14.6-175.4-61.8173.5175.878.51.4112.8V100 N101 F125 L126 A127V100-R129 HydrophobicContact CG2-CB 3.75Å; V100-R129 WeakPolarHBondContact CG2-O 3.48Å; N101-R129 PolarHBondContact ND2-O 2.86Å; F125-R129 PolarHBondContact O-NH1 3.15Å; L126-R129 CarbonylContact O-C 3.58Å; L126-R129 PolarHBondContact O-N 3.06Å; A127-R129 PolarHBondContact O-N 3.49Å
130S94.9Very high95Very high14 Ų1455.6 Ų55.610%0.09830%0.299CS..SBendtrans-99.2150.5-172.6-54.30000111.6N101 L126 L132N101-S130 VanDerWaalsContact OD1-CA 3.28Å; N101-S130 WeakPolarHBondContact OD1-CA 3.36Å; L126-S130 WeakPolarHBondContact O-CB 3.37Å; L126-S130 PolarHBondContact O-N 2.94Å; L126-S130 PolarHBondContact O-OG 3.45Å; S130-L132 PolarHBondContact O-N 2.86Å
131D94.9Very high95.1Very high79 Ų7952.1 Ų52.142%0.42229%0.29SS..  trans-73.590.2166.6-175-1000109.9N101 L109 K133 H134N101-D131 PolarHBondContact OD1-N 3.2Å; L109-D131 HydrophobicContact CD1-CB 4.31Å; D131-K133 PolarHBondContact O-N 2.67Å; D131-K133 VanDerWaalsContact O-N 3.15Å; D131-K133 WeakPolarHBondContact OD1-CB 3.38Å; D131-K133 PolarHBondContact OD1-N 2.64Å; D131-H134 HydrophobicContact CB-CB 4.12Å; D131-H134 WeakPolarHBondContact O-CB 3.49Å; D131-H134 PolarHBondContact O-N 3.26Å; D131-H134 VanDerWaalsContact O-N 3.14Å; D131-H134 PolarHBondContact OD1-N 2.92Å
132L92.6Very high95Very high17 Ų1748.8 Ų48.89%0.08927%0.272CS..THydrogen-bonded Turntrans-65.2-13.2-179.9-59.8-175.8000113.6I111 S130 A142 L158 H161 I162I111-L132 HydrophobicContact CD1-CD2 3.53Å; S130-L132 PolarHBondContact O-N 2.86Å; L132-A142 HydrophobicContact CD2-CB 4.3Å; L132-L158 HydrophobicContact CD2-CD2 3.84Å; L132-H161 HydrophobicContact CD1-CB 4.11Å; L132-I162 HydrophobicContact CB-CD1 4.39Å; L132-I162 HydrophobicContact CB-CG1 4.19Å; L132-I162 HydrophobicContact CD1-CD1 4.33Å; L132-I162 HydrophobicContact CD1-CG1 3.58Å
133K93.1Very high94.8Very high173 Ų17349.2 Ų49.275%0.75227%0.274SS*.THydrogen-bonded Turntrans-92.6-13.6177.9-62.5-179.4-180174.70112.4D131 A135D131-K133 PolarHBondContact O-N 2.67Å; D131-K133 VanDerWaalsContact O-N 3.15Å; D131-K133 WeakPolarHBondContact OD1-CB 3.38Å; D131-K133 PolarHBondContact OD1-N 2.64Å; K133-A135 PolarHBondContact O-N 3.08Å
134H94.7Very high94.7Very high33 Ų3351.2 Ų51.215%0.15329%0.285CS..  trans-62.6130.9175.8-179.873.5000110.2Q103 G107 L109 H112 D131Q103-H134 PolarHBondContact NE2-CE1 3.15Å; Q103-H134 PolarHBondContact NE2-ND1 2.69Å; G107-H134 PolarHBondContact O-CD2 3.01Å; G107-H134 PolarHBondContact O-NE2 3.26Å; L109-H134 HydrophobicContact CD1-CB 3.82Å; L109-H134 HydrophobicContact CG-CB 4.43Å; H112-H134 AromaticContact CE1-CD2 4Å; H112-H134 PolarHBondContact NE2-O 3.33Å; D131-H134 HydrophobicContact CB-CB 4.12Å; D131-H134 WeakPolarHBondContact O-CB 3.49Å; D131-H134 PolarHBondContact O-N 3.26Å; D131-H134 VanDerWaalsContact O-N 3.14Å; D131-H134 PolarHBondContact OD1-N 2.92Å
135A95.8Very high94.7Very high41 Ų4147.3 Ų47.334%0.33927%0.267SS..  trans-106.1135.9176.700000110.1K133 Q140 T141K133-A135 PolarHBondContact O-N 3.08Å; A135-Q140 WeakPolarHBondContact CA-O 3.42Å; A135-T141 HydrophobicContact CB-CG2 4.34Å
136N94.5Very high94.6Very high24 Ų2445.8 Ų45.813%0.12826%0.26CS..  trans-69.2179.7173.370.116.2000111.9G107 S138 G139 Q140G107-N136 WeakPolarHBondContact O-CA 3.2Å; N136-S138 PolarHBondContact O-N 3.41Å; N136-S138 VanDerWaalsContact O-N 3.07Å; N136-S138 WeakPolarHBondContact OD1-CA 3.48Å; N136-S138 VanDerWaalsContact OD1-CB 3.31Å; N136-S138 WeakPolarHBondContact OD1-CB 3.47Å; N136-S138 PolarHBondContact OD1-N 3.06Å; N136-G139 WeakPolarHBondContact O-CA 3.42Å; N136-G139 PolarHBondContact O-N 3Å; N136-G139 PolarHBondContact OD1-N 3.23Å; N136-Q140 PolarHBondContact N-O 2.97Å; N136-Q140 PolarHBondContact OD1-N 3.42Å; N136-Q140 PolarHBondContact OD1-O 3.21Å
137V96Very high94.5Very high105 Ų10551.7 Ų51.764%0.63628%0.283SS*.THydrogen-bonded Turntrans-59.9-21.5-179.8-65.80000114.1N106 G139N106-V137 VanDerWaalsContact C-CG1 3.4Å; N106-V137 HydrophobicContact CB-CG2 4.15Å; N106-V137 VanDerWaalsContact O-CG1 3.27Å; N106-V137 WeakPolarHBondContact O-CG1 3.46Å; N106-V137 VanDerWaalsContact O-CG2 3.23Å; N106-V137 WeakPolarHBondContact O-CG2 3.48Å; N106-V137 PolarHBondContact O-N 3.41Å; V137-G139 VanDerWaalsContact C-N 3.25Å
138S94.3Very high94.5Very high89 Ų8955.3 Ų55.362%0.62231%0.308SS*.THydrogen-bonded Turntrans-83.81.2174.6-54.80000113N136 Q140N136-S138 PolarHBondContact O-N 3.41Å; N136-S138 VanDerWaalsContact O-N 3.07Å; N136-S138 WeakPolarHBondContact OD1-CA 3.48Å; N136-S138 VanDerWaalsContact OD1-CB 3.31Å; N136-S138 WeakPolarHBondContact OD1-CB 3.47Å; N136-S138 PolarHBondContact OD1-N 3.06Å; S138-Q140 VanDerWaalsContact C-N 3.3Å
139G95.4Very high94.3Very high53 Ų5355.9 Ų55.955%0.54631%0.306SS..SBendtrans75.116.5-176.300000114N136 V137N136-G139 WeakPolarHBondContact O-CA 3.42Å; N136-G139 PolarHBondContact O-N 3Å; N136-G139 PolarHBondContact OD1-N 3.23Å; V137-G139 VanDerWaalsContact C-N 3.25Å
140Q95.5Very high94.1Very high63 Ų6353 Ų5329%0.29431%0.311SS..  trans-98126.5-178.8-59.9179.1-75.800110.7A135 N136 S138 D144 V145A135-Q140 WeakPolarHBondContact CA-O 3.42Å; N136-Q140 PolarHBondContact N-O 2.97Å; N136-Q140 PolarHBondContact OD1-N 3.42Å; N136-Q140 PolarHBondContact OD1-O 3.21Å; S138-Q140 VanDerWaalsContact C-N 3.3Å; Q140-D144 HydrophobicContact CB-CB 3.98Å; Q140-D144 HydrophobicContact CG-CB 4.42Å; Q140-V145 HydrophobicContact CB-CG2 3.93Å
141T95.9Very high93.8Very high30 Ų3056.2 Ų56.218%0.18433%0.325CS..  trans-77.2171.3165.466.40000111.3A135 I143 D144 V145A135-T141 HydrophobicContact CB-CG2 4.34Å; T141-I143 VanDerWaalsContact C-N 3.26Å; T141-I143 PolarHBondContact O-N 3.41Å; T141-D144 WeakPolarHBondContact CB-OD2 3.42Å; T141-D144 PolarHBondContact N-OD2 3.32Å; T141-D144 PolarHBondContact O-N 2.88Å; T141-D144 PolarHBondContact OG1-N 3.42Å; T141-D144 PolarHBondContact OG1-OD2 3.45Å; T141-V145 WeakPolarHBondContact O-CG2 3.4Å; T141-V145 PolarHBondContact O-N 3.03Å
142A93.5Very high93.4Very high1 Ų158.2 Ų58.21%0.00834%0.335CS..Hα-helixtrans-51.8-43.7174.300000112.5I111 H112 I115 L132 V145 A146 L158I111-A142 HydrophobicContact CG2-CB 4.15Å; H112-A142 PolarHBondContact NE2-N 3.1Å; I115-A142 HydrophobicContact CD1-CB 3.75Å; I115-A142 WeakPolarHBondContact CD1-O 3.45Å; L132-A142 HydrophobicContact CD2-CB 4.3Å; A142-V145 PolarHBondContact O-N 3.48Å; A142-A146 PolarHBondContact O-N 3Å; A142-A146 VanDerWaalsContact O-N 3.08Å; A142-L158 HydrophobicContact CB-CD1 4.36Å; A142-L158 HydrophobicContact CB-CD2 4.39Å
143I93.6Very high93.1Very high9 Ų961.1 Ų61.15%0.04635%0.35CS..Hα-helixtrans-68.2-38.6176.9-65.9-168000111.5T141 V145 A146 R147 L158 F159 I162T141-I143 VanDerWaalsContact C-N 3.26Å; T141-I143 PolarHBondContact O-N 3.41Å; I143-V145 VanDerWaalsContact C-N 3.26Å; I143-V145 PolarHBondContact O-N 3.04Å; I143-A146 PolarHBondContact O-N 3.29Å; I143-R147 VanDerWaalsContact CG2-NH2 3.31Å; I143-R147 VanDerWaalsContact O-CB 3.25Å; I143-R147 WeakPolarHBondContact O-CB 3.09Å; I143-R147 PolarHBondContact O-N 3.46Å; I143-L158 HydrophobicContact CD1-CB 4.02Å; I143-L158 HydrophobicContact CG1-CB 3.73Å; I143-L158 HydrophobicContact CG1-CD1 3.83Å; I143-L158 HydrophobicContact CG1-CG 4.39Å; I143-F159 HydrophobicContact CD1-CD1 4.02Å; I143-F159 HydrophobicContact CD1-CE1 3.95Å; I143-F159 HydrophobicContact CD1-CE2 4.5Å; I143-F159 HydrophobicContact CD1-CG 4.33Å; I143-F159 HydrophobicContact CD1-CZ 4.19Å; I143-F159 HydrophobicContact CG2-CZ 4.31Å; I143-I162 HydrophobicContact CD1-CD1 3.14Å; I143-I162 HydrophobicContact CD1-CG1 4.43Å; I143-I162 HydrophobicContact CG1-CD1 4.02Å
144D94.7Very high92.9Very high42 Ų4253.1 Ų53.123%0.22532%0.316CS..Hα-helixtrans-63.6-36.8179.1-58-45000111.5Q140 T141 R147 S148Q140-D144 HydrophobicContact CB-CB 3.98Å; Q140-D144 HydrophobicContact CG-CB 4.42Å; T141-D144 WeakPolarHBondContact CB-OD2 3.42Å; T141-D144 PolarHBondContact N-OD2 3.32Å; T141-D144 PolarHBondContact O-N 2.88Å; T141-D144 PolarHBondContact OG1-N 3.42Å; T141-D144 PolarHBondContact OG1-OD2 3.45Å; D144-R147 IonicContact OD1-CZ 3.96Å; D144-R147 IonicContact OD1-NH1 3.56Å; D144-R147 PolarHBondContact OD1-NH1 3.15Å; D144-R147 IonicContact OD1-NH2 2.99Å; D144-R147 PolarHBondContact OD1-NH2 3.49Å; D144-S148 WeakPolarHBondContact O-CB 3.48Å; D144-S148 PolarHBondContact O-N 3.42Å; D144-S148 PolarHBondContact O-OG 3.16Å
145V94.3Very high92.6Very high4 Ų452.8 Ų52.82%0.02432%0.315CS..Hα-helixtrans-63.3-54172.4178.20000110.5I115 R116 Q140 T141 A142 I143 R147 S148 L149I115-V145 HydrophobicContact CB-CG1 4.37Å; I115-V145 HydrophobicContact CG2-CB 4.33Å; I115-V145 HydrophobicContact CG2-CG1 3.8Å; R116-V145 HydrophobicContact CG-CG1 3.75Å; Q140-V145 HydrophobicContact CB-CG2 3.93Å; T141-V145 WeakPolarHBondContact O-CG2 3.4Å; T141-V145 PolarHBondContact O-N 3.03Å; A142-V145 PolarHBondContact O-N 3.48Å; I143-V145 VanDerWaalsContact C-N 3.26Å; I143-V145 PolarHBondContact O-N 3.04Å; V145-R147 VanDerWaalsContact C-N 3.26Å; V145-R147 PolarHBondContact O-N 2.9Å; V145-S148 PolarHBondContact O-N 3.03Å; V145-S148 VanDerWaalsContact O-N 3.07Å; V145-S148 PolarHBondContact O-OG 3.31Å; V145-L149 HydrophobicContact CG1-CD1 4.07Å; V145-L149 WeakPolarHBondContact O-CG 3.4Å; V145-L149 PolarHBondContact O-N 3.43Å; V145-L149 VanDerWaalsContact O-N 3.17Å
146A94.4Very high92.1Very high0 Ų055.8 Ų55.80%033%0.325CS..Hα-helixtrans-57.2-40.6179.700000112.2I115 A142 I143 L149 G150 E151 M154 M155 L158I115-A146 HydrophobicContact CG2-CB 3.74Å; A142-A146 PolarHBondContact O-N 3Å; A142-A146 VanDerWaalsContact O-N 3.08Å; I143-A146 PolarHBondContact O-N 3.29Å; A146-L149 PolarHBondContact O-N 3.28Å; A146-G150 PolarHBondContact O-N 2.89Å; A146-G150 VanDerWaalsContact O-N 3.17Å; A146-E151 PolarHBondContact O-N 3.29Å; A146-E151 VanDerWaalsContact O-N 3.11Å; A146-M154 HydrophobicContact CB-CB 4.39Å; A146-M155 HydrophobicContact CB-CG 3.73Å; A146-L158 HydrophobicContact CB-CD1 4.06Å
147R94.1Very high91.7Very high124 Ų12455.5 Ų55.547%0.46833%0.325SS..Hα-helixtrans-64.6-41.3176.8-165.9-173.6-42.1112.65112.4I143 D144 V145 L149 G150 M155I143-R147 VanDerWaalsContact CG2-NH2 3.31Å; I143-R147 VanDerWaalsContact O-CB 3.25Å; I143-R147 WeakPolarHBondContact O-CB 3.09Å; I143-R147 PolarHBondContact O-N 3.46Å; D144-R147 IonicContact OD1-CZ 3.96Å; D144-R147 IonicContact OD1-NH1 3.56Å; D144-R147 PolarHBondContact OD1-NH1 3.15Å; D144-R147 IonicContact OD1-NH2 2.99Å; D144-R147 PolarHBondContact OD1-NH2 3.49Å; V145-R147 VanDerWaalsContact C-N 3.26Å; V145-R147 PolarHBondContact O-N 2.9Å; R147-L149 PolarHBondContact O-N 3.06Å; R147-G150 PolarHBondContact O-N 3.36Å; R147-M155 HydrophobicContact CB-CE 4.16Å; R147-M155 HydrophobicContact CB-SD 4Å; R147-M155 HydrophobicContact CG-CE 4Å; R147-M155 HydrophobicContact CG-SD 4.19Å
148S93.2Very high91.3Very high77 Ų7750.5 Ų50.554%0.53830%0.295SS..Hα-helixtrans-66.4-26.3178.671.60000113.1D144 V145D144-S148 WeakPolarHBondContact O-CB 3.48Å; D144-S148 PolarHBondContact O-N 3.42Å; D144-S148 PolarHBondContact O-OG 3.16Å; V145-S148 PolarHBondContact O-N 3.03Å; V145-S148 VanDerWaalsContact O-N 3.07Å; V145-S148 PolarHBondContact O-OG 3.31Å
149L91.5Very high90.8Very high83 Ų8350.4 Ų50.444%0.43528%0.283SS..Hα-helixtrans-87.3-13.7177.1-61.5171.9000112.9I115 R116 V145 A146 R147 E151I115-L149 HydrophobicContact CG2-CD1 4.14Å; R116-L149 HydrophobicContact CG-CD1 4.44Å; V145-L149 HydrophobicContact CG1-CD1 4.07Å; V145-L149 WeakPolarHBondContact O-CG 3.4Å; V145-L149 PolarHBondContact O-N 3.43Å; V145-L149 VanDerWaalsContact O-N 3.17Å; A146-L149 PolarHBondContact O-N 3.28Å; R147-L149 PolarHBondContact O-N 3.06Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 HydrophobicContact CB-CG 3.88Å
150G90.3Very high90.2Very high51 Ų5151 Ų5153%0.52628%0.283SS..THydrogen-bonded Turntrans77.616.3-175.700000114.1A146 R147 L152A146-G150 PolarHBondContact O-N 2.89Å; A146-G150 VanDerWaalsContact O-N 3.17Å; R147-G150 PolarHBondContact O-N 3.36Å; G150-L152 PolarHBondContact O-N 3.37Å
151E88.3Confident89.3Confident82 Ų8251.2 Ų51.238%0.38328%0.284SS..  trans-81.875.1-175.2-70.5-64.1153.800111.6A146 L149 D153 M154 M155A146-E151 PolarHBondContact O-N 3.29Å; A146-E151 VanDerWaalsContact O-N 3.11Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 HydrophobicContact CB-CG 3.88Å; E151-D153 PolarHBondContact O-N 3.42Å; E151-M154 HydrophobicContact CB-CB 4.24Å; E151-M154 HydrophobicContact CB-CE 3.73Å; E151-M154 HydrophobicContact CB-CG 4.47Å; E151-M154 HydrophobicContact CB-SD 4.36Å; E151-M154 HydrophobicContact CG-CE 3.51Å; E151-M154 PolarHBondContact O-N 2.99Å; E151-M154 WeakPolarHBondContact OE2-CE 3.41Å; E151-M155 WeakPolarHBondContact O-CG 3.35Å; E151-M155 PolarHBondContact O-N 3.3Å
152L86.1Confident87.9Confident121 Ų12152.9 Ų52.963%0.63429%0.291SS*.Hα-helixtrans-55.4-37.6-175.6-67177.4000113.3G150 M155 N156G150-L152 PolarHBondContact O-N 3.37Å; L152-M155 HydrophobicContact CD2-SD 4.31Å; L152-M155 WeakPolarHBondContact O-CB 3.25Å; L152-M155 PolarHBondContact O-N 3.4Å; L152-N156 VanDerWaalsContact O-CG 3.3Å; L152-N156 PolarHBondContact O-N 2.97Å; L152-N156 PolarHBondContact O-ND2 3.3Å
153D86.8Confident86.2Confident78 Ų7860.1 Ų60.142%0.41732%0.324SS..Hα-helixtrans-66.1-44.7-179.3-85.1-6.1000112.1R120 E151 M155 N156 S157R120-D153 IonicContact CZ-OD2 3.19Å; R120-D153 IonicContact NH1-OD2 2.81Å; R120-D153 PolarHBondContact NH1-OD2 2.98Å; R120-D153 IonicContact NH2-OD2 2.71Å; E151-D153 PolarHBondContact O-N 3.42Å; D153-M155 VanDerWaalsContact C-N 3.33Å; D153-N156 PolarHBondContact O-N 3.01Å; D153-S157 PolarHBondContact O-N 3.17Å; D153-S157 PolarHBondContact O-OG 3.07Å
154M87.4Confident84Confident5 Ų566.8 Ų66.83%0.02537%0.371CS..Hα-helixtrans-67-37.4175.4-70.7-177.3-117.900111.4I115 V123 A146 E151 N156 S157 L158I115-M154 HydrophobicContact CB-SD 4.32Å; I115-M154 HydrophobicContact CG1-SD 4.33Å; I115-M154 HydrophobicContact CG2-SD 4.15Å; V123-M154 HydrophobicContact CG2-SD 4.13Å; A146-M154 HydrophobicContact CB-CB 4.39Å; E151-M154 HydrophobicContact CB-CB 4.24Å; E151-M154 HydrophobicContact CB-CE 3.73Å; E151-M154 HydrophobicContact CB-CG 4.47Å; E151-M154 HydrophobicContact CB-SD 4.36Å; E151-M154 HydrophobicContact CG-CE 3.51Å; E151-M154 PolarHBondContact O-N 2.99Å; E151-M154 WeakPolarHBondContact OE2-CE 3.41Å; M154-N156 VanDerWaalsContact C-N 3.3Å; M154-N156 PolarHBondContact O-N 2.85Å; M154-S157 PolarHBondContact O-N 3.37Å; M154-L158 VanDerWaalsContact O-CG 3.23Å; M154-L158 WeakPolarHBondContact O-CG 3.41Å; M154-L158 PolarHBondContact O-N 3.26Å
155M88.4Confident83.5Confident27 Ų2768 Ų6813%0.13338%0.379CS..Hα-helixtrans-57.4-45.2173.1-69.2174.660.900111.3A146 R147 E151 L152 D153 L158 F159A146-M155 HydrophobicContact CB-CG 3.73Å; R147-M155 HydrophobicContact CB-CE 4.16Å; R147-M155 HydrophobicContact CB-SD 4Å; R147-M155 HydrophobicContact CG-CE 4Å; R147-M155 HydrophobicContact CG-SD 4.19Å; E151-M155 WeakPolarHBondContact O-CG 3.35Å; E151-M155 PolarHBondContact O-N 3.3Å; L152-M155 HydrophobicContact CD2-SD 4.31Å; L152-M155 WeakPolarHBondContact O-CB 3.25Å; L152-M155 PolarHBondContact O-N 3.4Å; D153-M155 VanDerWaalsContact C-N 3.33Å; M155-L158 PolarHBondContact O-N 3.11Å; M155-F159 HydrophobicContact CB-CD2 4.45Å; M155-F159 HydrophobicContact CB-CE2 4.42Å; M155-F159 HydrophobicContact CE-CE2 4.22Å; M155-F159 WeakPolarHBondContact O-CD2 3.42Å; M155-F159 PolarHBondContact O-N 3.23Å
156N87Confident82.9Confident103 Ų10371.4 Ų71.455%0.55140%0.397SS*.Hα-helixtrans-62.1-44.8177.6-71.1-28.2000111.9L152 D153 M154 L158 F159 A160L152-N156 VanDerWaalsContact O-CG 3.3Å; L152-N156 PolarHBondContact O-N 2.97Å; L152-N156 PolarHBondContact O-ND2 3.3Å; D153-N156 PolarHBondContact O-N 3.01Å; M154-N156 VanDerWaalsContact C-N 3.3Å; M154-N156 PolarHBondContact O-N 2.85Å; N156-L158 VanDerWaalsContact C-N 3.33Å; N156-L158 PolarHBondContact O-N 3.44Å; N156-F159 PolarHBondContact O-N 2.98Å; N156-A160 PolarHBondContact O-N 3.29Å; N156-A160 VanDerWaalsContact O-N 3.15Å
157S85.6Confident82.3Confident19 Ų1975.3 Ų75.313%0.13342%0.419CS..Hα-helixtrans-59.8-42.8175.4-61.40000111.6E124 D153 M154 A160 H161E124-S157 PolarHBondContact OE1-OG 2.71Å; D153-S157 PolarHBondContact O-N 3.17Å; D153-S157 PolarHBondContact O-OG 3.07Å; M154-S157 PolarHBondContact O-N 3.37Å; S157-A160 PolarHBondContact O-N 2.99Å; S157-H161 PolarHBondContact O-CD2 2.99Å
158L86.9Confident81.6Confident0 Ų072.5 Ų72.50%042%0.416CS..Hα-helixtrans-66.6-42.1177-66.4168.5000112.4I111 I115 V123 A127 L132 A142 I143 A146 M154 M155 N156 A160 H161 I162I111-L158 HydrophobicContact CD1-CD2 3.7Å; I115-L158 HydrophobicContact CD1-CD1 3.75Å; I115-L158 HydrophobicContact CD1-CD2 4.44Å; V123-L158 HydrophobicContact CG1-CD2 4.09Å; V123-L158 HydrophobicContact CG1-CG 4.37Å; A127-L158 HydrophobicContact CB-CD2 4.16Å; L132-L158 HydrophobicContact CD2-CD2 3.84Å; A142-L158 HydrophobicContact CB-CD1 4.36Å; A142-L158 HydrophobicContact CB-CD2 4.39Å; I143-L158 HydrophobicContact CD1-CB 4.02Å; I143-L158 HydrophobicContact CG1-CB 3.73Å; I143-L158 HydrophobicContact CG1-CD1 3.83Å; I143-L158 HydrophobicContact CG1-CG 4.39Å; A146-L158 HydrophobicContact CB-CD1 4.06Å; M154-L158 VanDerWaalsContact O-CG 3.23Å; M154-L158 WeakPolarHBondContact O-CG 3.41Å; M154-L158 PolarHBondContact O-N 3.26Å; M155-L158 PolarHBondContact O-N 3.11Å; N156-L158 VanDerWaalsContact C-N 3.33Å; N156-L158 PolarHBondContact O-N 3.44Å; L158-A160 VanDerWaalsContact C-N 3.28Å; L158-A160 PolarHBondContact O-N 3.17Å; L158-H161 PolarHBondContact O-N 3.28Å; L158-H161 VanDerWaalsContact O-N 3.12Å; L158-I162 WeakPolarHBondContact O-CG1 3.46Å; L158-I162 PolarHBondContact O-N 3.21Å
159F84Confident80.9Confident87 Ų8772.2 Ų72.238%0.38241%0.409SS..Hα-helixtrans-61.6-35.1178.9-85.6-60.9000113.1I143 M155 N156 H161 I162 H163I143-F159 HydrophobicContact CD1-CD1 4.02Å; I143-F159 HydrophobicContact CD1-CE1 3.95Å; I143-F159 HydrophobicContact CD1-CE2 4.5Å; I143-F159 HydrophobicContact CD1-CG 4.33Å; I143-F159 HydrophobicContact CD1-CZ 4.19Å; I143-F159 HydrophobicContact CG2-CZ 4.31Å; M155-F159 HydrophobicContact CB-CD2 4.45Å; M155-F159 HydrophobicContact CB-CE2 4.42Å; M155-F159 HydrophobicContact CE-CE2 4.22Å; M155-F159 WeakPolarHBondContact O-CD2 3.42Å; M155-F159 PolarHBondContact O-N 3.23Å; N156-F159 PolarHBondContact O-N 2.98Å; F159-H161 PolarHBondContact O-N 2.73Å; F159-I162 PolarHBondContact O-N 3.22Å; F159-H163 PolarHBondContact O-ND1 3.22Å; F159-H163 VanDerWaalsContact O-ND1 3.16Å
160A81.9Confident80.2Confident64 Ų6471.5 Ų71.553%0.52941%0.407SS..Hα-helixtrans-60.4-29.1176.700000112.6N156 S157 L158N156-A160 PolarHBondContact O-N 3.29Å; N156-A160 VanDerWaalsContact O-N 3.15Å; S157-A160 PolarHBondContact O-N 2.99Å; L158-A160 VanDerWaalsContact C-N 3.28Å; L158-A160 PolarHBondContact O-N 3.17Å
161H76.6Confident79.5Confident68 Ų6872.9 Ų72.932%0.31540%0.399SS..Hα-helixtrans-100.1-5.9-176.3-66.2-60.4000114.7A127 L132 S157 L158 F159A127-H161 HydrophobicContact CB-CB 4.32Å; L132-H161 HydrophobicContact CD1-CB 4.11Å; S157-H161 PolarHBondContact O-CD2 2.99Å; L158-H161 PolarHBondContact O-N 3.28Å; L158-H161 VanDerWaalsContact O-N 3.12Å; F159-H161 PolarHBondContact O-N 2.73Å
162I68.1Low78.8Confident65 Ų6572.2 Ų72.233%0.33340%0.4SS..Hα-helixtrans-84-22.6175.1-71.2-179000112.6L132 I143 L158 F159L132-I162 HydrophobicContact CB-CD1 4.39Å; L132-I162 HydrophobicContact CB-CG1 4.19Å; L132-I162 HydrophobicContact CD1-CD1 4.33Å; L132-I162 HydrophobicContact CD1-CG1 3.58Å; I143-I162 HydrophobicContact CD1-CD1 3.14Å; I143-I162 HydrophobicContact CD1-CG1 4.43Å; I143-I162 HydrophobicContact CG1-CD1 4.02Å; L158-I162 WeakPolarHBondContact O-CG1 3.46Å; L158-I162 PolarHBondContact O-N 3.21Å; F159-I162 PolarHBondContact O-N 3.22Å
163H56.6Low78.2Confident154 Ų15468.2 Ų68.271%0.71338%0.38SS*.  trans-111.45.9-172.2-61.289.5000114.4F159F159-H163 PolarHBondContact O-ND1 3.22Å; F159-H163 VanDerWaalsContact O-ND1 3.16Å
164S48.7Very low77.4Confident148 Ų14867.3 Ų67.3100%1.03538%0.377SS*.  trans-93017475.10000111.5

Retrieved 164 of 164 residues in 107.6 ms (Link to these results)

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