A0A096MS03_PAPAN Loading...

Glomulin, FKBP associated protein

AlphaFold DB , UniProt , Accession A0A096MS03, Species PAPAN (Papio anubis, Olive baboon), Gene GLMN, Length 594 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
1M78.9Confident88.8Confident182 Ų18270 Ų7090%0.89735%0.347SS*.  0-38.10-80.117353.800111V3 E4 E5M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.03Å; M1-E4 PolarHBondContact O-N 3.27Å; M1-E5 PolarHBondContact O-N 2.84Å
2A83.6Confident88.8Confident1 Ų174.8 Ų74.81%0.00836%0.358CS..Hα-helixtrans-57.8-36.6179.200000114.9E5 L6 R35 C36 E39A2-E5 WeakPolarHBondContact O-CB 3.3Å; A2-E5 PolarHBondContact O-N 3.29Å; A2-L6 PolarHBondContact O-N 3.07Å; A2-R35 HydrophobicContact CB-CB 3.59Å; A2-C36 VanDerWaalsContact C-SG 3.54Å; A2-E39 VanDerWaalsContact CB-OE2 3.32Å; A2-E39 WeakPolarHBondContact CB-OE2 3.24Å; A2-E39 PolarHBondContact N-OE2 3.45Å
3V87.9Confident88.8Confident17 Ų1769.2 Ų69.210%0.10333%0.332CS..Hα-helixtrans-66.4-39.6-179.8-178.70000112.2M1 E5 L6 Q7 H41 Q44M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.03Å; V3-E5 VanDerWaalsContact C-N 3.35Å; V3-L6 PolarHBondContact O-N 3.09Å; V3-Q7 HydrophobicContact CG1-CG 4.5Å; V3-Q7 WeakPolarHBondContact O-CB 3.14Å; V3-Q7 VanDerWaalsContact O-CG 3.29Å; V3-Q7 WeakPolarHBondContact O-CG 3.44Å; V3-Q7 PolarHBondContact O-N 3.13Å; V3-H41 HydrophobicContact CG2-CB 3.47Å; V3-H41 VanDerWaalsContact CG2-CB 3.47Å; V3-Q44 HydrophobicContact CG1-CB 4.19Å; V3-Q44 HydrophobicContact CG2-CB 4.34Å
4E89Confident88.8Confident144 Ų14470.2 Ų70.267%0.67334%0.336SS*.Hα-helixtrans-68-37.9177.5-66.7-179.1164.400111.2M1 Q7 S8M1-E4 PolarHBondContact O-N 3.27Å; E4-Q7 PolarHBondContact O-N 2.86Å; E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.21Å
5E91.1Very high88.8Confident70 Ų7075.2 Ų75.233%0.32736%0.363SS..Hα-helixtrans-61-49.4173.5-173.3177.4-163.600110.8M1 A2 V3 Q7 S8 I9 A32 R35M1-E5 PolarHBondContact O-N 2.84Å; A2-E5 WeakPolarHBondContact O-CB 3.3Å; A2-E5 PolarHBondContact O-N 3.29Å; V3-E5 VanDerWaalsContact C-N 3.35Å; E5-Q7 PolarHBondContact O-N 3.16Å; E5-S8 WeakPolarHBondContact O-CB 3.45Å; E5-S8 PolarHBondContact O-N 3.43Å; E5-I9 HydrophobicContact CG-CD1 4.29Å; E5-I9 WeakPolarHBondContact O-CG1 3.41Å; E5-I9 PolarHBondContact O-N 3.27Å; E5-A32 HydrophobicContact CG-CB 4.17Å; E5-R35 IonicContact OE1-NH1 3.47Å; E5-R35 PolarHBondContact OE1-NH1 3.03Å; E5-R35 VanDerWaalsContact OE1-NH1 3.16Å; E5-R35 IonicContact OE2-CZ 3.59Å; E5-R35 IonicContact OE2-NH1 3.59Å; E5-R35 PolarHBondContact OE2-NH1 3.44Å
6L91.3Very high88.7Confident0 Ų074.4 Ų74.40%036%0.361CS..Hα-helixtrans-61.2-43.6177.1-176.262.5000112.1A2 V3 S8 I9 I10 F29 A32 L45 I48A2-L6 PolarHBondContact O-N 3.07Å; V3-L6 PolarHBondContact O-N 3.09Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-S8 PolarHBondContact O-N 2.94Å; L6-I9 PolarHBondContact O-N 3.39Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.37Å; L6-F29 HydrophobicContact CD1-CD2 3.6Å; L6-F29 HydrophobicContact CD1-CE2 3.65Å; L6-A32 HydrophobicContact CB-CB 4.05Å; L6-A32 HydrophobicContact CD1-CB 4.07Å; L6-L45 HydrophobicContact CD2-CD1 3.49Å; L6-L45 VanDerWaalsContact CD2-CD1 3.49Å; L6-I48 HydrophobicContact CD2-CD1 3.9Å; L6-I48 HydrophobicContact CG-CD1 4.35Å
7Q91.3Very high88.4Confident103 Ų10377.1 Ų77.148%0.48137%0.373SS..Hα-helixtrans-64.9-36.6177.2-75.4179.6-6.900112.6V3 E4 E5 I10 K11 I48V3-Q7 HydrophobicContact CG1-CG 4.5Å; V3-Q7 WeakPolarHBondContact O-CB 3.14Å; V3-Q7 VanDerWaalsContact O-CG 3.29Å; V3-Q7 WeakPolarHBondContact O-CG 3.44Å; V3-Q7 PolarHBondContact O-N 3.13Å; E4-Q7 PolarHBondContact O-N 2.86Å; E5-Q7 PolarHBondContact O-N 3.16Å; Q7-I10 PolarHBondContact O-N 3.22Å; Q7-K11 VanDerWaalsContact O-CB 3.27Å; Q7-K11 WeakPolarHBondContact O-CB 3.3Å; Q7-K11 PolarHBondContact O-N 3.44Å; Q7-I48 HydrophobicContact CG-CD1 3.95Å
8S91.5Very high88Confident80 Ų8077.8 Ų77.856%0.55938%0.376SS*.Hα-helixtrans-62.2-46174.8-175.30000111.3E4 E5 L6 K11 R12E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.21Å; E5-S8 WeakPolarHBondContact O-CB 3.45Å; E5-S8 PolarHBondContact O-N 3.43Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-S8 PolarHBondContact O-N 2.94Å; S8-K11 PolarHBondContact O-N 3.13Å; S8-R12 PolarHBondContact O-N 2.77Å
9I91.1Very high87.7Confident20 Ų2081.9 Ų81.910%0.10339%0.394CS..Hα-helixtrans-62.1-50.2176.2-64.4161.3000110.3E5 L6 K11 R12 C13 L28 F29 A32E5-I9 HydrophobicContact CG-CD1 4.29Å; E5-I9 WeakPolarHBondContact O-CG1 3.41Å; E5-I9 PolarHBondContact O-N 3.27Å; L6-I9 PolarHBondContact O-N 3.39Å; I9-K11 VanDerWaalsContact C-N 3.31Å; I9-K11 PolarHBondContact O-N 3.24Å; I9-R12 WeakPolarHBondContact O-CB 3.49Å; I9-R12 PolarHBondContact O-N 3.27Å; I9-C13 PolarHBondContact O-N 2.88Å; I9-C13 PolarHBondContact O-SG 2.87Å; I9-C13 VanDerWaalsContact O-SG 3.32Å; I9-L28 HydrophobicContact CD1-CB 3.93Å; I9-F29 HydrophobicContact CG2-CB 4.38Å; I9-A32 HydrophobicContact CD1-CB 3.75Å
10I90.7Very high87.7Confident7 Ų782 Ų824%0.03640%0.397CS..Hα-helixtrans-55-47.1176.8-73.2-62.7000111.1L6 Q7 R12 C13 Q14 F29 I48 N54 I57L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.37Å; Q7-I10 PolarHBondContact O-N 3.22Å; I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 3.05Å; I10-C13 PolarHBondContact O-N 2.99Å; I10-Q14 HydrophobicContact CG2-CG 4.22Å; I10-Q14 WeakPolarHBondContact O-CB 3.48Å; I10-Q14 VanDerWaalsContact O-CG 3.27Å; I10-Q14 WeakPolarHBondContact O-CG 3.23Å; I10-Q14 PolarHBondContact O-N 3.08Å; I10-F29 HydrophobicContact CD1-CD2 4.09Å; I10-F29 HydrophobicContact CD1-CE2 3.6Å; I10-F29 HydrophobicContact CG1-CE2 4.36Å; I10-I48 HydrophobicContact CG1-CG2 4.2Å; I10-N54 VanDerWaalsContact CG2-OD1 3.29Å; I10-N54 WeakPolarHBondContact CG2-OD1 3.27Å; I10-I57 HydrophobicContact CD1-CB 4.33Å; I10-I57 HydrophobicContact CD1-CD1 4.04Å; I10-I57 HydrophobicContact CD1-CG2 3.7Å; I10-I57 HydrophobicContact CG2-CD1 4.14Å; I10-I57 WeakPolarHBondContact O-CD1 3.19Å
11K90.3Very high87.8Confident146 Ų14679.3 Ų79.364%0.63538%0.383SS*.Hα-helixtrans-66.6-33.7-177.7-167.6169.7-175.1177.60112.6Q7 S8 I9Q7-K11 VanDerWaalsContact O-CB 3.27Å; Q7-K11 WeakPolarHBondContact O-CB 3.3Å; Q7-K11 PolarHBondContact O-N 3.44Å; S8-K11 PolarHBondContact O-N 3.13Å; I9-K11 VanDerWaalsContact C-N 3.31Å; I9-K11 PolarHBondContact O-N 3.24Å
12R89Confident88.2Confident127 Ų12776.9 Ų76.948%0.47937%0.368SS..Hα-helixtrans-65.2-49.4171175.5-178.7160.7-174.6-15110.7S8 I9 I10 Q14 I15 D25S8-R12 PolarHBondContact O-N 2.77Å; I9-R12 WeakPolarHBondContact O-CB 3.49Å; I9-R12 PolarHBondContact O-N 3.27Å; I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 3.05Å; R12-Q14 VanDerWaalsContact C-N 3.31Å; R12-Q14 PolarHBondContact O-N 3.04Å; R12-I15 PolarHBondContact O-N 3.42Å; R12-D25 IonicContact CZ-OD1 3.5Å; R12-D25 IonicContact NE-OD1 3.49Å; R12-D25 IonicContact NH2-OD1 2.79Å; R12-D25 PolarHBondContact NH2-OD1 3.03Å
13C88.9Confident88.3Confident2 Ų285.4 Ų85.41%0.01441%0.407CS..Hα-helixtrans-68.9-25.8-178.7-63.20000113.3I9 I10 I15 L16 F21 I57I9-C13 PolarHBondContact O-N 2.88Å; I9-C13 PolarHBondContact O-SG 2.87Å; I9-C13 VanDerWaalsContact O-SG 3.32Å; I10-C13 PolarHBondContact O-N 2.99Å; C13-I15 PolarHBondContact O-N 3.28Å; C13-L16 PolarHBondContact O-N 3.24Å; C13-F21 HydrophobicContact CB-CE1 4.07Å; C13-I57 HydrophobicContact CB-CD1 3.8Å; C13-I57 HydrophobicContact CB-CG1 4.08Å
14Q88.6Confident88.3Confident84 Ų8491 Ų9139%0.39343%0.432SS..THydrogen-bonded Turntrans-61.9-23175.6-83.8174.5-2.300113.7I10 R12 N54 I57I10-Q14 HydrophobicContact CG2-CG 4.22Å; I10-Q14 WeakPolarHBondContact O-CB 3.48Å; I10-Q14 VanDerWaalsContact O-CG 3.27Å; I10-Q14 WeakPolarHBondContact O-CG 3.23Å; I10-Q14 PolarHBondContact O-N 3.08Å; R12-Q14 VanDerWaalsContact C-N 3.31Å; R12-Q14 PolarHBondContact O-N 3.04Å; Q14-N54 PolarHBondContact NE2-OD1 3.42Å; Q14-I57 HydrophobicContact CB-CD1 4.48Å; Q14-I57 HydrophobicContact CG-CD1 3.76Å
15I88.8Confident88.4Confident145 Ų14584.3 Ų84.374%0.74440%0.401SS*.THydrogen-bonded Turntrans-91.7-16.2-177.5-55.3166.9000111R12 C13R12-I15 PolarHBondContact O-N 3.42Å; C13-I15 PolarHBondContact O-N 3.28Å
16L86.9Confident88.3Confident63 Ų6383.4 Ų83.433%0.3340%0.396SS..SBendtrans-89151.8-178.2-59.4176.2000111C13 D20 F21C13-L16 PolarHBondContact O-N 3.24Å; L16-D20 HydrophobicContact CB-CB 4.35Å; L16-F21 HydrophobicContact CB-CD1 4.2Å; L16-F21 HydrophobicContact CB-CE1 3.99Å; L16-F21 HydrophobicContact CD1-CD1 4.37Å
17E83.4Confident88.2Confident120 Ų12084.6 Ų84.656%0.56141%0.409SS*.  trans-79.4159167.4-63.6-169.6168.100110.9Q19 D20E17-Q19 HydrophobicContact CB-CG 4.13Å; E17-Q19 PolarHBondContact O-N 3.1Å; E17-Q19 VanDerWaalsContact O-N 3.08Å; E17-Q19 PolarHBondContact OE2-NE2 2.91Å; E17-D20 PolarHBondContact O-N 3.12Å
18E81.9Confident88.3Confident90 Ų9083.1 Ų83.142%0.42140%0.404SS..G310 helixtrans-55-32.7-177.2-68.6-169.9-16700113.3D20 F21 V56 K59 N60E18-D20 VanDerWaalsContact C-N 3.32Å; E18-F21 WeakPolarHBondContact O-CD2 3.34Å; E18-V56 HydrophobicContact CG-CG1 3.33Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.3Å; E18-K59 IonicContact OE1-NZ 2.77Å; E18-K59 IonicContact OE2-NZ 3.31Å; E18-N60 WeakPolarHBondContact CG-ND2 3.25Å; E18-N60 PolarHBondContact OE2-ND2 3.23Å
19Q82.6Confident88.4Confident155 Ų15579.4 Ų79.472%0.72438%0.377SS*.G310 helixtrans-75.6-16.3-179.758.5-173.5-10.100114.2E17E17-Q19 HydrophobicContact CB-CG 4.13Å; E17-Q19 PolarHBondContact O-N 3.1Å; E17-Q19 VanDerWaalsContact O-N 3.08Å; E17-Q19 PolarHBondContact OE2-NE2 2.91Å
20D87.1Confident88.5Confident84 Ų8481.8 Ų81.845%0.44939%0.388SS..G310 helixtrans-96.8-0.2-175.8-64-42.4000113.1L16 E17 E18 K22L16-D20 HydrophobicContact CB-CB 4.35Å; E17-D20 PolarHBondContact O-N 3.12Å; E18-D20 VanDerWaalsContact C-N 3.32Å; D20-K22 PolarHBondContact O-N 3.46Å
21F88.9Confident88.6Confident26 Ų2685.8 Ų85.811%0.11441%0.409CS..  trans-66.1123.3175.4-65.2-25000110.9C13 L16 E18 F26 V56 I57 N60 M61C13-F21 HydrophobicContact CB-CE1 4.07Å; L16-F21 HydrophobicContact CB-CD1 4.2Å; L16-F21 HydrophobicContact CB-CE1 3.99Å; L16-F21 HydrophobicContact CD1-CD1 4.37Å; E18-F21 WeakPolarHBondContact O-CD2 3.34Å; F21-F26 HydrophobicContact CB-CE2 3.92Å; F21-F26 HydrophobicContact CB-CZ 4.14Å; F21-V56 HydrophobicContact CE2-CG1 4.44Å; F21-V56 HydrophobicContact CZ-CG1 4.37Å; F21-I57 HydrophobicContact CZ-CG1 4.3Å; F21-N60 HydrophobicContact CD2-CB 4.3Å; F21-N60 HydrophobicContact CE2-CB 4.16Å; F21-M61 HydrophobicContact CB-CE 3.68Å; F21-M61 HydrophobicContact CD1-CE 3.75Å; F21-M61 HydrophobicContact CD2-CE 3.76Å; F21-M61 HydrophobicContact CE1-CE 4.29Å; F21-M61 HydrophobicContact CE2-CE 4.28Å; F21-M61 HydrophobicContact CG-CE 3.46Å; F21-M61 VanDerWaalsContact CG-CE 3.46Å
22K88.6Confident88.8Confident130 Ų13078.8 Ų78.857%0.56538%0.379SS*.  trans-93.1153.7178.4-60.6-176.9-179.9-177.20110.6D20 E24 D25 F26D20-K22 PolarHBondContact O-N 3.46Å; K22-E24 PolarHBondContact O-N 3.34Å; K22-D25 WeakPolarHBondContact CB-OD2 3.42Å; K22-D25 PolarHBondContact N-OD2 3.16Å; K22-D25 WeakPolarHBondContact O-CA 3.39Å; K22-D25 VanDerWaalsContact O-CB 3.31Å; K22-D25 WeakPolarHBondContact O-CB 3.33Å; K22-D25 PolarHBondContact O-N 3.31Å; K22-F26 WeakPolarHBondContact O-CD2 3.39Å
23E85.4Confident89Confident180 Ų18072.8 Ų72.884%0.84136%0.356SS*.Hα-helixtrans-52.1-38.9175.8-166.2176.1-176.800112.8D25 F26 G27E23-D25 VanDerWaalsContact C-N 3.26Å; E23-D25 PolarHBondContact O-N 2.77Å; E23-F26 PolarHBondContact O-N 3.06Å; E23-F26 VanDerWaalsContact O-N 3.16Å; E23-G27 PolarHBondContact O-N 3.49Å
24E88.6Confident89.2Confident135 Ų13574.9 Ų74.963%0.63137%0.366SS*.Hα-helixtrans-57.4-36.4174-64.8176.3-179.200113.1K22 F26 G27 L28K22-E24 PolarHBondContact O-N 3.34Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 3.37Å; E24-G27 PolarHBondContact O-N 2.87Å; E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 VanDerWaalsContact O-CG 3.27Å; E24-L28 WeakPolarHBondContact O-CG 3.49Å; E24-L28 PolarHBondContact O-N 3.45Å
25D89.3Confident89.3Confident3 Ų376 Ų762%0.01637%0.366CS..Hα-helixtrans-67.7-35.1-179.2-58.4-50.6000110.7R12 K22 E23 F29 M61R12-D25 IonicContact CZ-OD1 3.5Å; R12-D25 IonicContact NE-OD1 3.49Å; R12-D25 IonicContact NH2-OD1 2.79Å; R12-D25 PolarHBondContact NH2-OD1 3.03Å; K22-D25 WeakPolarHBondContact CB-OD2 3.42Å; K22-D25 PolarHBondContact N-OD2 3.16Å; K22-D25 WeakPolarHBondContact O-CA 3.39Å; K22-D25 VanDerWaalsContact O-CB 3.31Å; K22-D25 WeakPolarHBondContact O-CB 3.33Å; K22-D25 PolarHBondContact O-N 3.31Å; E23-D25 VanDerWaalsContact C-N 3.26Å; E23-D25 PolarHBondContact O-N 2.77Å; D25-F29 WeakPolarHBondContact O-CB 3.45Å; D25-F29 PolarHBondContact O-N 3.2Å; D25-M61 HydrophobicContact CB-CE 3.75Å
26F90.1Very high89.5Confident51 Ų5169.1 Ų69.122%0.22433%0.331CS..Hα-helixtrans-66.3-46.1175.1-63.8-100.7000111.4F21 K22 E23 E24 F29 Q30 M61F21-F26 HydrophobicContact CB-CE2 3.92Å; F21-F26 HydrophobicContact CB-CZ 4.14Å; K22-F26 WeakPolarHBondContact O-CD2 3.39Å; E23-F26 PolarHBondContact O-N 3.06Å; E23-F26 VanDerWaalsContact O-N 3.16Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 3.37Å; F26-F29 PolarHBondContact O-N 3.16Å; F26-Q30 WeakPolarHBondContact O-CB 3.49Å; F26-Q30 PolarHBondContact O-N 2.75Å; F26-M61 HydrophobicContact CD1-CB 4.21Å; F26-M61 HydrophobicContact CD1-CG 3.68Å; F26-M61 HydrophobicContact CD2-CE 4.32Å; F26-M61 HydrophobicContact CE1-CB 4.43Å; F26-M61 HydrophobicContact CE1-CG 3.66Å; F26-M61 HydrophobicContact CE2-CE 4.16Å; F26-M61 HydrophobicContact CG-CG 4.28Å; F26-M61 HydrophobicContact CZ-CE 4.27Å; F26-M61 HydrophobicContact CZ-CG 4.25Å
27G89.4Confident89.6Confident26 Ų2666.4 Ų66.427%0.26832%0.317SS..Hα-helixtrans-65.4-43.3179.100000112.9E23 E24 Q30 L31E23-G27 PolarHBondContact O-N 3.49Å; E24-G27 PolarHBondContact O-N 2.87Å; G27-Q30 PolarHBondContact O-N 3.16Å; G27-L31 WeakPolarHBondContact O-CB 3.21Å; G27-L31 PolarHBondContact O-N 3.13Å
28L92.5Very high89.8Confident72 Ų7266.6 Ų66.638%0.37732%0.318SS..Hα-helixtrans-63.7-41.8175.7-71.6173.5000111.5I9 E24 L31 A32I9-L28 HydrophobicContact CD1-CB 3.93Å; E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 VanDerWaalsContact O-CG 3.27Å; E24-L28 WeakPolarHBondContact O-CG 3.49Å; E24-L28 PolarHBondContact O-N 3.45Å; L28-L31 PolarHBondContact O-N 2.95Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.26Å
29F93.4Very high90.1Very high1 Ų167 Ų670%0.00432%0.32CS..Hα-helixtrans-61.5-44.5175.6178.8-101.4000111.9L6 I9 I10 D25 F26 G33 I58 M61 L65L6-F29 HydrophobicContact CD1-CD2 3.6Å; L6-F29 HydrophobicContact CD1-CE2 3.65Å; I9-F29 HydrophobicContact CG2-CB 4.38Å; I10-F29 HydrophobicContact CD1-CD2 4.09Å; I10-F29 HydrophobicContact CD1-CE2 3.6Å; I10-F29 HydrophobicContact CG1-CE2 4.36Å; D25-F29 WeakPolarHBondContact O-CB 3.45Å; D25-F29 PolarHBondContact O-N 3.2Å; F26-F29 PolarHBondContact O-N 3.16Å; F29-G33 PolarHBondContact O-N 3.13Å; F29-I58 HydrophobicContact CZ-CD1 4.2Å; F29-M61 HydrophobicContact CB-SD 4.44Å; F29-M61 HydrophobicContact CD1-CB 3.82Å; F29-M61 HydrophobicContact CE1-CB 4.05Å; F29-M61 WeakPolarHBondContact CE1-O 3.44Å; F29-M61 HydrophobicContact CG-CB 4.3Å; F29-L65 HydrophobicContact CD1-CD2 4.42Å; F29-L65 HydrophobicContact CD1-CG 4.37Å; F29-L65 HydrophobicContact CE1-CD1 3.66Å; F29-L65 HydrophobicContact CE1-CD2 4.06Å; F29-L65 HydrophobicContact CE1-CG 3.6Å; F29-L65 HydrophobicContact CZ-CD1 3.58Å; F29-L65 HydrophobicContact CZ-CG 4.08Å
30Q93.4Very high90.2Very high71 Ų7161.1 Ų61.133%0.33230%0.301SS..Hα-helixtrans-58.7-51.9175.5-174.3-179.5500111.8F26 G27 G33 Q34 N64F26-Q30 WeakPolarHBondContact O-CB 3.49Å; F26-Q30 PolarHBondContact O-N 2.75Å; G27-Q30 PolarHBondContact O-N 3.16Å; Q30-G33 PolarHBondContact O-N 2.79Å; Q30-Q34 VanDerWaalsContact O-CB 3.3Å; Q30-Q34 WeakPolarHBondContact O-CB 3.37Å; Q30-Q34 PolarHBondContact O-N 3.2Å; Q30-N64 HydrophobicContact CB-CB 3.91Å; Q30-N64 HydrophobicContact CG-CB 4.13Å
31L93.6Very high90.3Very high90 Ų9060 Ų6047%0.47129%0.293SS..Hα-helixtrans-61.2-47.3-178.5-82.2157.3000111.8G27 L28 Q34 R35G27-L31 WeakPolarHBondContact O-CB 3.21Å; G27-L31 PolarHBondContact O-N 3.13Å; L28-L31 PolarHBondContact O-N 2.95Å; L31-Q34 PolarHBondContact O-N 2.91Å; L31-R35 WeakPolarHBondContact O-CG 3.48Å; L31-R35 PolarHBondContact O-N 3.37Å
32A93.6Very high90.3Very high0 Ų058.9 Ų58.90%029%0.288CS..Hα-helixtrans-65.4-41179.400000111.7E5 L6 I9 L28 R35 C36E5-A32 HydrophobicContact CG-CB 4.17Å; L6-A32 HydrophobicContact CB-CB 4.05Å; L6-A32 HydrophobicContact CD1-CB 4.07Å; I9-A32 HydrophobicContact CD1-CB 3.75Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.26Å; A32-R35 PolarHBondContact O-N 3.38Å; A32-C36 PolarHBondContact O-N 3.22Å; A32-C36 PolarHBondContact O-SG 3.21Å
33G93.1Very high90.3Very high0 Ų057.5 Ų57.50%029%0.287CS..Hα-helixtrans-67.2-39.9175.700000113.1F29 Q30 C36 I37F29-G33 PolarHBondContact O-N 3.13Å; Q30-G33 PolarHBondContact O-N 2.79Å; G33-C36 WeakPolarHBondContact O-CB 3.31Å; G33-C36 PolarHBondContact O-N 3.2Å; G33-I37 WeakPolarHBondContact O-CG1 3.36Å; G33-I37 PolarHBondContact O-N 3.1Å; G33-I37 VanDerWaalsContact O-N 3.12Å
34Q92.8Very high90.6Very high47 Ų4752.9 Ų52.922%0.2227%0.265CS..Hα-helixtrans-60.2-47.1173.2179.1175.1-7.700111.1Q30 L31 C36 I37 E38 P68Q30-Q34 VanDerWaalsContact O-CB 3.3Å; Q30-Q34 WeakPolarHBondContact O-CB 3.37Å; Q30-Q34 PolarHBondContact O-N 3.2Å; L31-Q34 PolarHBondContact O-N 2.91Å; Q34-C36 VanDerWaalsContact C-N 3.28Å; Q34-C36 PolarHBondContact O-N 3.45Å; Q34-I37 WeakPolarHBondContact O-CB 3.47Å; Q34-I37 PolarHBondContact O-N 2.84Å; Q34-E38 HydrophobicContact CG-CG 4.35Å; Q34-E38 VanDerWaalsContact CG-OE1 3.26Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.36Å; Q34-E38 PolarHBondContact NE2-OE1 2.94Å; Q34-E38 WeakPolarHBondContact O-CG 3.41Å; Q34-E38 PolarHBondContact O-N 3.01Å; Q34-P68 HydrophobicContact CB-CB 4.14Å; Q34-P68 HydrophobicContact CB-CG 3.92Å; Q34-P68 HydrophobicContact CG-CB 4.21Å; Q34-P68 HydrophobicContact CG-CG 4.19Å
35R92.7Very high90.8Very high106 Ų10646.5 Ų46.540%0.424%0.236SC..Hα-helixtrans-59.1-38.5174.9-72.6179.2-177.6160.82.9112.3A2 E5 L31 A32 I37 E38 E39A2-R35 HydrophobicContact CB-CB 3.59Å; E5-R35 IonicContact OE1-NH1 3.47Å; E5-R35 PolarHBondContact OE1-NH1 3.03Å; E5-R35 VanDerWaalsContact OE1-NH1 3.16Å; E5-R35 IonicContact OE2-CZ 3.59Å; E5-R35 IonicContact OE2-NH1 3.59Å; E5-R35 PolarHBondContact OE2-NH1 3.44Å; L31-R35 WeakPolarHBondContact O-CG 3.48Å; L31-R35 PolarHBondContact O-N 3.37Å; A32-R35 PolarHBondContact O-N 3.38Å; R35-I37 VanDerWaalsContact C-N 3.29Å; R35-I37 PolarHBondContact O-N 3.07Å; R35-E38 PolarHBondContact O-N 3.38Å; R35-E39 VanDerWaalsContact O-CB 3.28Å; R35-E39 WeakPolarHBondContact O-CB 3.47Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 2.87Å
36C91.3Very high90.9Very high1 Ų147.3 Ų47.31%0.00724%0.24CC..Hα-helixtrans-60.6-39.3174.6-67.40000112A2 A32 G33 Q34 G40 H41A2-C36 VanDerWaalsContact C-SG 3.54Å; A32-C36 PolarHBondContact O-N 3.22Å; A32-C36 PolarHBondContact O-SG 3.21Å; G33-C36 WeakPolarHBondContact O-CB 3.31Å; G33-C36 PolarHBondContact O-N 3.2Å; Q34-C36 VanDerWaalsContact C-N 3.28Å; Q34-C36 PolarHBondContact O-N 3.45Å; C36-G40 PolarHBondContact O-N 2.99Å; C36-H41 HydrophobicContact CB-CB 4.3Å; C36-H41 WeakPolarHBondContact O-CA 3.34Å; C36-H41 WeakPolarHBondContact O-CB 3.44Å; C36-H41 PolarHBondContact O-N 3.5Å
37I89.4Confident91.1Very high6 Ų651.2 Ų51.23%0.03126%0.259CS..Hα-helixtrans-71.6-38.9178.3-64.3162.8000111.4G33 Q34 R35 G40 L45 P68 V69 C72G33-I37 WeakPolarHBondContact O-CG1 3.36Å; G33-I37 PolarHBondContact O-N 3.1Å; G33-I37 VanDerWaalsContact O-N 3.12Å; Q34-I37 WeakPolarHBondContact O-CB 3.47Å; Q34-I37 PolarHBondContact O-N 2.84Å; R35-I37 VanDerWaalsContact C-N 3.29Å; R35-I37 PolarHBondContact O-N 3.07Å; I37-G40 PolarHBondContact O-N 3.28Å; I37-L45 HydrophobicContact CD1-CD2 3.91Å; I37-L45 HydrophobicContact CG1-CD2 3.63Å; I37-P68 HydrophobicContact CD1-CB 3.67Å; I37-V69 HydrophobicContact CD1-CG2 3.69Å; I37-C72 HydrophobicContact CG2-CB 3.78Å
38E87Confident91.2Very high124 Ų12450.7 Ų50.758%0.57925%0.25SC*.Hα-helixtrans-71.5-41.8179.6-70.9172.8179.500112.4Q34 R35 G40Q34-E38 HydrophobicContact CG-CG 4.35Å; Q34-E38 VanDerWaalsContact CG-OE1 3.26Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.36Å; Q34-E38 PolarHBondContact NE2-OE1 2.94Å; Q34-E38 WeakPolarHBondContact O-CG 3.41Å; Q34-E38 PolarHBondContact O-N 3.01Å; R35-E38 PolarHBondContact O-N 3.38Å; E38-G40 PolarHBondContact O-N 3.14Å
39E88.4Confident91.2Very high98 Ų9847.5 Ų47.546%0.45823%0.233SC..THydrogen-bonded Turntrans-74.4-5.5176-69.4179.2-165.700113A2 R35 H41A2-E39 VanDerWaalsContact CB-OE2 3.32Å; A2-E39 WeakPolarHBondContact CB-OE2 3.24Å; A2-E39 PolarHBondContact N-OE2 3.45Å; R35-E39 VanDerWaalsContact O-CB 3.28Å; R35-E39 WeakPolarHBondContact O-CB 3.47Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 2.87Å; E39-H41 VanDerWaalsContact CB-CD2 3.49Å; E39-H41 WeakPolarHBondContact CB-CD2 3.49Å; E39-H41 IonicContact OE2-CD2 2.8Å; E39-H41 IonicContact OE2-NE2 2.71Å
40G85Confident91.1Very high33 Ų3352.8 Ų52.834%0.3426%0.258SS..THydrogen-bonded Turntrans85.711.9176.300000115.2C36 I37 E38 I42C36-G40 PolarHBondContact O-N 2.99Å; I37-G40 PolarHBondContact O-N 3.28Å; E38-G40 PolarHBondContact O-N 3.14Å; G40-I42 PolarHBondContact O-N 2.92Å
41H89.6Confident91Very high59 Ų5952.8 Ų52.827%0.27326%0.26SS..  trans-81.944.3179-64.1-55.3000113.1V3 C36 E39 Q44 L45V3-H41 HydrophobicContact CG2-CB 3.47Å; V3-H41 VanDerWaalsContact CG2-CB 3.47Å; C36-H41 HydrophobicContact CB-CB 4.3Å; C36-H41 WeakPolarHBondContact O-CA 3.34Å; C36-H41 WeakPolarHBondContact O-CB 3.44Å; C36-H41 PolarHBondContact O-N 3.5Å; E39-H41 VanDerWaalsContact CB-CD2 3.49Å; E39-H41 WeakPolarHBondContact CB-CD2 3.49Å; E39-H41 IonicContact OE2-CD2 2.8Å; E39-H41 IonicContact OE2-NE2 2.71Å; H41-Q44 VanDerWaalsContact CB-OE1 3.23Å; H41-Q44 VanDerWaalsContact CG-OE1 3.3Å; H41-Q44 PolarHBondContact ND1-OE1 3.34Å; H41-L45 PolarHBondContact O-N 3.36Å
42I88.6Confident90.8Very high4 Ų455.3 Ų55.32%0.02127%0.27CS..Hα-helixtrans-72-39.2-171.1-55.3167.8000111.4G40 Q44 L45 L46 K82 V85 I89G40-I42 PolarHBondContact O-N 2.92Å; I42-Q44 PolarHBondContact O-N 3.19Å; I42-L45 WeakPolarHBondContact O-CB 3.26Å; I42-L45 PolarHBondContact O-N 3.11Å; I42-L46 PolarHBondContact O-N 3.24Å; I42-K82 HydrophobicContact CD1-CB 3.94Å; I42-K82 HydrophobicContact CD1-CD 4.49Å; I42-K82 HydrophobicContact CD1-CG 4.24Å; I42-V85 HydrophobicContact CB-CG1 4.47Å; I42-V85 HydrophobicContact CG2-CB 3.94Å; I42-V85 HydrophobicContact CG2-CG1 3.57Å; I42-I89 HydrophobicContact CG2-CD1 3.52Å
43D89.2Confident90.5Very high100 Ų10063.1 Ų63.154%0.53530%0.304SS..Hα-helixtrans-64.9-40.2179.9-59.2-46.5000111.9L45 L46 E47D43-L45 VanDerWaalsContact C-N 3.34Å; D43-L45 PolarHBondContact O-N 2.93Å; D43-L46 WeakPolarHBondContact O-CB 3.38Å; D43-L46 PolarHBondContact O-N 3.47Å; D43-E47 PolarHBondContact O-N 3.48Å
44Q91Very high90.4Very high83 Ų8363.4 Ų63.439%0.38831%0.305SS..Hα-helixtrans-67.5-36.7177.3-69.5153.2-21.700111.3V3 H41 I42 E47 I48V3-Q44 HydrophobicContact CG1-CB 4.19Å; V3-Q44 HydrophobicContact CG2-CB 4.34Å; H41-Q44 VanDerWaalsContact CB-OE1 3.23Å; H41-Q44 VanDerWaalsContact CG-OE1 3.3Å; H41-Q44 PolarHBondContact ND1-OE1 3.34Å; I42-Q44 PolarHBondContact O-N 3.19Å; Q44-E47 PolarHBondContact O-N 3.49Å; Q44-I48 VanDerWaalsContact O-CG1 3.29Å; Q44-I48 WeakPolarHBondContact O-CG1 3.26Å; Q44-I48 PolarHBondContact O-N 3.03Å; Q44-I48 VanDerWaalsContact O-N 3.09Å
45L92.6Very high90.3Very high2 Ų266.7 Ų66.71%0.0132%0.318CS..Hα-helixtrans-63.6-41.8172.3-177.563.1000111.3L6 I37 H41 I42 D43 I48 I49 L65 I89L6-L45 HydrophobicContact CD2-CD1 3.49Å; L6-L45 VanDerWaalsContact CD2-CD1 3.49Å; I37-L45 HydrophobicContact CD1-CD2 3.91Å; I37-L45 HydrophobicContact CG1-CD2 3.63Å; H41-L45 PolarHBondContact O-N 3.36Å; I42-L45 WeakPolarHBondContact O-CB 3.26Å; I42-L45 PolarHBondContact O-N 3.11Å; D43-L45 VanDerWaalsContact C-N 3.34Å; D43-L45 PolarHBondContact O-N 2.93Å; L45-I48 PolarHBondContact O-N 2.94Å; L45-I49 HydrophobicContact CD1-CD1 4.34Å; L45-I49 HydrophobicContact CG-CD1 4.05Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.89Å; L45-L65 HydrophobicContact CD1-CD1 4.12Å; L45-I89 HydrophobicContact CB-CD1 4.38Å; L45-I89 HydrophobicContact CD2-CD1 4.18Å; L45-I89 HydrophobicContact CG-CD1 4.29Å
46L92.9Very high90.2Very high20 Ų2064.7 Ų64.711%0.10532%0.318CS..Hα-helixtrans-61-45.2175.7178.662.4000111.8I42 D43 I48 I49 Q50 V85 I89 L92I42-L46 PolarHBondContact O-N 3.24Å; D43-L46 WeakPolarHBondContact O-CB 3.38Å; D43-L46 PolarHBondContact O-N 3.47Å; L46-I48 VanDerWaalsContact C-N 3.31Å; L46-I48 PolarHBondContact O-N 3Å; L46-I49 PolarHBondContact O-N 2.94Å; L46-Q50 HydrophobicContact CD1-CG 4.11Å; L46-Q50 HydrophobicContact CG-CG 4.44Å; L46-Q50 WeakPolarHBondContact O-CG 3.32Å; L46-Q50 PolarHBondContact O-N 3.47Å; L46-V85 HydrophobicContact CB-CG1 4.33Å; L46-V85 HydrophobicContact CD2-CG1 3.87Å; L46-I89 HydrophobicContact CB-CD1 4.14Å; L46-I89 HydrophobicContact CB-CG1 3.94Å; L46-I89 HydrophobicContact CD1-CG1 3.81Å; L46-I89 HydrophobicContact CG-CG1 4.43Å; L46-L92 HydrophobicContact CD1-CD1 3.32Å
47E92.9Very high90.2Very high133 Ų13364.9 Ų64.962%0.62132%0.319SS*.Hα-helixtrans-59.6-40.4175.8-73.3-179.6-177.900112.3D43 Q44 Q50 N51D43-E47 PolarHBondContact O-N 3.48Å; Q44-E47 PolarHBondContact O-N 3.49Å; E47-Q50 PolarHBondContact O-N 3.18Å; E47-N51 PolarHBondContact O-N 3.41Å
48I92Very high90.4Very high15 Ų1564.6 Ų64.68%0.07732%0.317CS..Hα-helixtrans-63.3-42.8176.1-70.2167.6000110.6L6 Q7 I10 Q44 L45 L46 N51 N54L6-I48 HydrophobicContact CD2-CD1 3.9Å; L6-I48 HydrophobicContact CG-CD1 4.35Å; Q7-I48 HydrophobicContact CG-CD1 3.95Å; I10-I48 HydrophobicContact CG1-CG2 4.2Å; Q44-I48 VanDerWaalsContact O-CG1 3.29Å; Q44-I48 WeakPolarHBondContact O-CG1 3.26Å; Q44-I48 PolarHBondContact O-N 3.03Å; Q44-I48 VanDerWaalsContact O-N 3.09Å; L45-I48 PolarHBondContact O-N 2.94Å; L46-I48 VanDerWaalsContact C-N 3.31Å; L46-I48 PolarHBondContact O-N 3Å; I48-N51 PolarHBondContact O-N 2.78Å; I48-N54 PolarHBondContact O-ND2 3.2Å
49I91.9Very high90.6Very high4 Ų462.7 Ų62.72%0.02131%0.307CS..Hα-helixtrans-68.9-37.8-179.4-68.4169.6000111.6L45 L46 N51 I58 L65 I89 L92 L93 L96L45-I49 HydrophobicContact CD1-CD1 4.34Å; L45-I49 HydrophobicContact CG-CD1 4.05Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.89Å; L46-I49 PolarHBondContact O-N 2.94Å; I49-N51 VanDerWaalsContact C-N 3.27Å; I49-N51 PolarHBondContact O-N 3.28Å; I49-I58 HydrophobicContact CG1-CD1 4.13Å; I49-I58 HydrophobicContact CG2-CG2 4.31Å; I49-L65 HydrophobicContact CD1-CD1 4.46Å; I49-I89 HydrophobicContact CD1-CG1 4.48Å; I49-I89 HydrophobicContact CD1-CG2 3.66Å; I49-L92 HydrophobicContact CG2-CB 4.09Å; I49-L92 HydrophobicContact CG2-CD1 4.47Å; I49-L93 HydrophobicContact CD1-CD2 4.15Å; I49-L96 HydrophobicContact CG2-CD1 4.17Å
50Q92.4Very high90.7Very high112 Ų11259.2 Ų59.252%0.52329%0.292SS..Hα-helixtrans-74.1-16.6179.7-72.3178.5-12.200113.7L46 E47 E52 L92L46-Q50 HydrophobicContact CD1-CG 4.11Å; L46-Q50 HydrophobicContact CG-CG 4.44Å; L46-Q50 WeakPolarHBondContact O-CG 3.32Å; L46-Q50 PolarHBondContact O-N 3.47Å; E47-Q50 PolarHBondContact O-N 3.18Å; Q50-E52 PolarHBondContact O-N 3.02Å; Q50-L92 HydrophobicContact CG-CD1 3.9Å
51N91.8Very high91.1Very high72 Ų7257.7 Ų57.739%0.38528%0.276SS..  trans-70.2116.1-178.3-168.6-26.9000111.1E47 I48 I49 K53 N54E47-N51 PolarHBondContact O-N 3.41Å; I48-N51 PolarHBondContact O-N 2.78Å; I49-N51 VanDerWaalsContact C-N 3.27Å; I49-N51 PolarHBondContact O-N 3.28Å; N51-K53 PolarHBondContact O-N 3.14Å; N51-K53 WeakPolarHBondContact OD1-CB 3.38Å; N51-K53 PolarHBondContact OD1-N 3.29Å; N51-K53 VanDerWaalsContact OD1-N 3.08Å; N51-N54 WeakPolarHBondContact O-CB 3.32Å; N51-N54 PolarHBondContact O-N 3.03Å
52E88.3Confident91.2Very high143 Ų14354.9 Ų54.967%0.66826%0.263SS*.G310 helixtrans-55.2-26.9179.6-72.4-68.7156.800113.5Q50 N54 K55Q50-E52 PolarHBondContact O-N 3.02Å; E52-N54 PolarHBondContact O-N 3.16Å; E52-K55 WeakPolarHBondContact O-CB 3.5Å; E52-K55 PolarHBondContact O-N 3.07Å; E52-K55 IonicContact OE2-NZ 3.76Å
53K88.6Confident91.4Very high164 Ų16457.8 Ų57.871%0.71327%0.274SS*.G310 helixtrans-64.7-22.2175.6-63.6-175.6-179.9-178.90113N51N51-K53 PolarHBondContact O-N 3.14Å; N51-K53 WeakPolarHBondContact OD1-CB 3.38Å; N51-K53 PolarHBondContact OD1-N 3.29Å; N51-K53 VanDerWaalsContact OD1-N 3.08Å
54N90.7Very high91.6Very high5 Ų553.7 Ų53.73%0.02725%0.252CS..G310 helixtrans-96.5-2.3-176.6-59.5-18.4000112.4I10 Q14 I48 N51 E52 V56 I57 I58I10-N54 VanDerWaalsContact CG2-OD1 3.29Å; I10-N54 WeakPolarHBondContact CG2-OD1 3.27Å; Q14-N54 PolarHBondContact NE2-OD1 3.42Å; I48-N54 PolarHBondContact O-ND2 3.2Å; N51-N54 WeakPolarHBondContact O-CB 3.32Å; N51-N54 PolarHBondContact O-N 3.03Å; E52-N54 PolarHBondContact O-N 3.16Å; N54-V56 VanDerWaalsContact C-N 3.3Å; N54-V56 PolarHBondContact O-N 2.82Å; N54-V56 VanDerWaalsContact O-N 3.16Å; N54-I57 WeakPolarHBondContact O-CA 3.45Å; N54-I57 WeakPolarHBondContact O-CB 3.47Å; N54-I57 PolarHBondContact O-N 3.18Å; N54-I58 HydrophobicContact CB-CG1 4.13Å; N54-I58 WeakPolarHBondContact O-CG1 3.35Å; N54-I58 PolarHBondContact O-N 2.93Å
55K89.4Confident91.8Very high116 Ų11649.8 Ų49.850%0.50423%0.233SC..Hα-helixtrans-53.5-41.9-169.5-173.3175.9-172.5166.90114.2E52 I58 K59E52-K55 WeakPolarHBondContact O-CB 3.5Å; E52-K55 PolarHBondContact O-N 3.07Å; E52-K55 IonicContact OE2-NZ 3.76Å; K55-I58 PolarHBondContact O-N 3.03Å; K55-K59 WeakPolarHBondContact O-CB 3.43Å; K55-K59 PolarHBondContact O-N 3.27Å
56V90.3Very high91.8Very high65 Ų6549.9 Ų49.939%0.39423%0.234SC..Hα-helixtrans-64.5-42.1177.9171.80000111.5E18 F21 N54 K59 N60E18-V56 HydrophobicContact CG-CG1 3.33Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.3Å; F21-V56 HydrophobicContact CE2-CG1 4.44Å; F21-V56 HydrophobicContact CZ-CG1 4.37Å; N54-V56 VanDerWaalsContact C-N 3.3Å; N54-V56 PolarHBondContact O-N 2.82Å; N54-V56 VanDerWaalsContact O-N 3.16Å; V56-K59 PolarHBondContact O-N 3.03Å; V56-N60 PolarHBondContact O-N 3.45Å
57I91.9Very high91.7Very high4 Ų449.5 Ų49.52%0.02124%0.235CC..Hα-helixtrans-68.1-46.6178-55.4165.4000109.8I10 C13 Q14 F21 N54 K59 N60 M61I10-I57 HydrophobicContact CD1-CB 4.33Å; I10-I57 HydrophobicContact CD1-CD1 4.04Å; I10-I57 HydrophobicContact CD1-CG2 3.7Å; I10-I57 HydrophobicContact CG2-CD1 4.14Å; I10-I57 WeakPolarHBondContact O-CD1 3.19Å; C13-I57 HydrophobicContact CB-CD1 3.8Å; C13-I57 HydrophobicContact CB-CG1 4.08Å; Q14-I57 HydrophobicContact CB-CD1 4.48Å; Q14-I57 HydrophobicContact CG-CD1 3.76Å; F21-I57 HydrophobicContact CZ-CG1 4.3Å; N54-I57 WeakPolarHBondContact O-CA 3.45Å; N54-I57 WeakPolarHBondContact O-CB 3.47Å; N54-I57 PolarHBondContact O-N 3.18Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.37Å; I57-N60 PolarHBondContact O-N 3.23Å; I57-M61 HydrophobicContact CG2-CB 4.28Å; I57-M61 HydrophobicContact CG2-CG 4.32Å; I57-M61 HydrophobicContact CG2-SD 3.87Å; I57-M61 WeakPolarHBondContact O-CA 3.32Å; I57-M61 WeakPolarHBondContact O-CB 3.49Å; I57-M61 PolarHBondContact O-N 3.47Å
58I93.5Very high91.7Very high0 Ų043.6 Ų43.60%021%0.208CC..Hα-helixtrans-63.4-37.4178.2-58.4-51.1000111.2F29 I49 N54 K55 N60 G62 L93 L96 C97F29-I58 HydrophobicContact CZ-CD1 4.2Å; I49-I58 HydrophobicContact CG1-CD1 4.13Å; I49-I58 HydrophobicContact CG2-CG2 4.31Å; N54-I58 HydrophobicContact CB-CG1 4.13Å; N54-I58 WeakPolarHBondContact O-CG1 3.35Å; N54-I58 PolarHBondContact O-N 2.93Å; K55-I58 PolarHBondContact O-N 3.03Å; I58-N60 PolarHBondContact O-N 2.91Å; I58-G62 VanDerWaalsContact O-CA 3.23Å; I58-G62 WeakPolarHBondContact O-CA 3.33Å; I58-G62 PolarHBondContact O-N 3.14Å; I58-L93 HydrophobicContact CG2-CD2 4.24Å; I58-L96 HydrophobicContact CG2-CB 3.94Å; I58-L96 HydrophobicContact CG2-CD1 4.08Å; I58-C97 PolarHBondContact O-SG 2.96Å
59K92.4Very high91.6Very high84 Ų8443 Ų4337%0.36521%0.205SC..Hα-helixtrans-58.6-45.1175179.1-172.1165.2-150.50111.9E18 K55 V56 I57 L96 N98E18-K59 IonicContact OE1-NZ 2.77Å; E18-K59 IonicContact OE2-NZ 3.31Å; K55-K59 WeakPolarHBondContact O-CB 3.43Å; K55-K59 PolarHBondContact O-N 3.27Å; V56-K59 PolarHBondContact O-N 3.03Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.37Å; K59-L96 WeakPolarHBondContact CA-O 3.44Å; K59-N98 PolarHBondContact O-N 3.18Å
60N90.8Very high91.6Very high26 Ų2642.9 Ų42.914%0.13921%0.205CC..Hα-helixtrans-93.6-37.6-172.8-69.8-24.1000114E18 F21 V56 I57 I58 W63E18-N60 WeakPolarHBondContact CG-ND2 3.25Å; E18-N60 PolarHBondContact OE2-ND2 3.23Å; F21-N60 HydrophobicContact CD2-CB 4.3Å; F21-N60 HydrophobicContact CE2-CB 4.16Å; V56-N60 PolarHBondContact O-N 3.45Å; I57-N60 PolarHBondContact O-N 3.23Å; I58-N60 PolarHBondContact O-N 2.91Å; N60-W63 PolarHBondContact O-NE1 3.44Å; N60-W63 VanDerWaalsContact O-NE1 3.13Å
61M92.4Very high91.4Very high0 Ų043 Ų430%020%0.2CC..Hα-helixtrans-107.6-17.9-175.1-59.2-176.6175.300113.8F21 D25 F26 F29 I57 W63 N64F21-M61 HydrophobicContact CB-CE 3.68Å; F21-M61 HydrophobicContact CD1-CE 3.75Å; F21-M61 HydrophobicContact CD2-CE 3.76Å; F21-M61 HydrophobicContact CE1-CE 4.29Å; F21-M61 HydrophobicContact CE2-CE 4.28Å; F21-M61 HydrophobicContact CG-CE 3.46Å; F21-M61 VanDerWaalsContact CG-CE 3.46Å; D25-M61 HydrophobicContact CB-CE 3.75Å; F26-M61 HydrophobicContact CD1-CB 4.21Å; F26-M61 HydrophobicContact CD1-CG 3.68Å; F26-M61 HydrophobicContact CD2-CE 4.32Å; F26-M61 HydrophobicContact CE1-CB 4.43Å; F26-M61 HydrophobicContact CE1-CG 3.66Å; F26-M61 HydrophobicContact CE2-CE 4.16Å; F26-M61 HydrophobicContact CG-CG 4.28Å; F26-M61 HydrophobicContact CZ-CE 4.27Å; F26-M61 HydrophobicContact CZ-CG 4.25Å; F29-M61 HydrophobicContact CB-SD 4.44Å; F29-M61 HydrophobicContact CD1-CB 3.82Å; F29-M61 HydrophobicContact CE1-CB 4.05Å; F29-M61 WeakPolarHBondContact CE1-O 3.44Å; F29-M61 HydrophobicContact CG-CB 4.3Å; I57-M61 HydrophobicContact CG2-CB 4.28Å; I57-M61 HydrophobicContact CG2-CG 4.32Å; I57-M61 HydrophobicContact CG2-SD 3.87Å; I57-M61 WeakPolarHBondContact O-CA 3.32Å; I57-M61 WeakPolarHBondContact O-CB 3.49Å; I57-M61 PolarHBondContact O-N 3.47Å; M61-W63 PolarHBondContact O-N 3.04Å; M61-W63 VanDerWaalsContact O-N 3.13Å; M61-N64 WeakPolarHBondContact O-CB 3.47Å; M61-N64 PolarHBondContact O-N 2.94Å; M61-N64 VanDerWaalsContact O-N 3.14Å; M61-N64 PolarHBondContact O-ND2 3.47Å
62G92.6Very high91.2Very high0 Ų040 Ų400%019%0.185CC..G310 helixtrans-60.2-27.5-172.700000114.3I58 N64 L65I58-G62 VanDerWaalsContact O-CA 3.23Å; I58-G62 WeakPolarHBondContact O-CA 3.33Å; I58-G62 PolarHBondContact O-N 3.14Å; G62-N64 PolarHBondContact O-N 3.11Å; G62-L65 WeakPolarHBondContact O-CB 3.41Å; G62-L65 PolarHBondContact O-N 3.39Å
63W92.8Very high91.2Very high66 Ų6633.2 Ų33.225%0.2515%0.153CC..G310 helixtrans-61.8-27.1179.769.9-94.1000112.5N60 M61 L65 I66 C97 E101 L102N60-W63 PolarHBondContact O-NE1 3.44Å; N60-W63 VanDerWaalsContact O-NE1 3.13Å; M61-W63 PolarHBondContact O-N 3.04Å; M61-W63 VanDerWaalsContact O-N 3.13Å; W63-L65 PolarHBondContact O-N 3.36Å; W63-L65 VanDerWaalsContact O-N 3.16Å; W63-I66 WeakPolarHBondContact O-CB 3.29Å; W63-I66 PolarHBondContact O-N 3.31Å; W63-C97 HydrophobicContact CB-CB 4.35Å; W63-C97 PolarHBondContact N-SG 3.26Å; W63-C97 VanDerWaalsContact N-SG 3.38Å; W63-E101 HydrophobicContact CD2-CB 3.99Å; W63-E101 HydrophobicContact CG-CB 3.94Å; W63-L102 HydrophobicContact CB-CD1 3.74Å
64N92.8Very high91.1Very high14 Ų1427.7 Ų27.78%0.07513%0.131CC..G310 helixtrans-63.2-21176-64.3-74.5000113.2Q30 M61 G62 I66 P68Q30-N64 HydrophobicContact CB-CB 3.91Å; Q30-N64 HydrophobicContact CG-CB 4.13Å; M61-N64 WeakPolarHBondContact O-CB 3.47Å; M61-N64 PolarHBondContact O-N 2.94Å; M61-N64 VanDerWaalsContact O-N 3.14Å; M61-N64 PolarHBondContact O-ND2 3.47Å; G62-N64 PolarHBondContact O-N 3.11Å; N64-I66 VanDerWaalsContact C-N 3.35Å; N64-P68 WeakPolarHBondContact O-CD 3.26Å
65L93.9Very high90.6Very high0 Ų029.8 Ų29.80%015%0.146CC..G310 helixtrans-83.2-11.4177-58.5-178.9000112.9F29 L45 I49 G62 W63 G67 P68 V69 L93F29-L65 HydrophobicContact CD1-CD2 4.42Å; F29-L65 HydrophobicContact CD1-CG 4.37Å; F29-L65 HydrophobicContact CE1-CD1 3.66Å; F29-L65 HydrophobicContact CE1-CD2 4.06Å; F29-L65 HydrophobicContact CE1-CG 3.6Å; F29-L65 HydrophobicContact CZ-CD1 3.58Å; F29-L65 HydrophobicContact CZ-CG 4.08Å; L45-L65 HydrophobicContact CD1-CD1 4.12Å; I49-L65 HydrophobicContact CD1-CD1 4.46Å; G62-L65 WeakPolarHBondContact O-CB 3.41Å; G62-L65 PolarHBondContact O-N 3.39Å; W63-L65 PolarHBondContact O-N 3.36Å; W63-L65 VanDerWaalsContact O-N 3.16Å; L65-G67 PolarHBondContact O-N 2.97Å; L65-P68 WeakPolarHBondContact O-CD 3.42Å; L65-V69 WeakPolarHBondContact O-CB 3.49Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.22Å; L65-L93 HydrophobicContact CB-CD1 3.88Å
66I92.9Very high89.5Confident4 Ų432 Ų322%0.02116%0.155CC..Hα-helixtrans-61.1-47.3-178.6-70.6-135.8000111.1W63 N64 V69 V70 F90 L93 V94 L102 L106 L109W63-I66 WeakPolarHBondContact O-CB 3.29Å; W63-I66 PolarHBondContact O-N 3.31Å; N64-I66 VanDerWaalsContact C-N 3.35Å; I66-V69 PolarHBondContact O-N 2.91Å; I66-V70 HydrophobicContact CG2-CG2 3.87Å; I66-V70 WeakPolarHBondContact O-CB 3.28Å; I66-V70 VanDerWaalsContact O-CG2 3.27Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 2.96Å; I66-F90 HydrophobicContact CD1-CD2 4.23Å; I66-F90 HydrophobicContact CD1-CE2 3.97Å; I66-F90 HydrophobicContact CG2-CE2 4.07Å; I66-L93 HydrophobicContact CD1-CB 4.27Å; I66-L93 HydrophobicContact CG1-CB 4.23Å; I66-L93 HydrophobicContact CG1-CD1 4.11Å; I66-V94 HydrophobicContact CD1-CG2 4.34Å; I66-L102 HydrophobicContact CD1-CD1 3.23Å; I66-L102 HydrophobicContact CD1-CG 4.16Å; I66-L102 HydrophobicContact CG1-CD1 3.84Å; I66-L106 HydrophobicContact CD1-CD2 4.23Å; I66-L106 HydrophobicContact CG2-CD2 3.92Å; I66-L109 HydrophobicContact CG2-CD1 3.49Å; I66-L109 VanDerWaalsContact CG2-CD1 3.49Å
67G91.8Very high88.1Confident13 Ų1336.3 Ų36.313%0.13418%0.176CC..Hα-helixtrans-56.3-55.7179.900000113.2L65 V69 V70 R71L65-G67 PolarHBondContact O-N 2.97Å; G67-V69 VanDerWaalsContact C-N 3.3Å; G67-V69 PolarHBondContact O-N 3.13Å; G67-V70 PolarHBondContact O-N 3.38Å; G67-R71 WeakPolarHBondContact O-CG 3.29Å; G67-R71 PolarHBondContact O-N 3.31Å
68P91.6Very high86.7Confident9 Ų939.5 Ų39.56%0.05819%0.19CC..Hα-helixtrans-54.1-41.4173.8-29.836.4000114.3Q34 I37 N64 L65 C72Q34-P68 HydrophobicContact CB-CB 4.14Å; Q34-P68 HydrophobicContact CB-CG 3.92Å; Q34-P68 HydrophobicContact CG-CB 4.21Å; Q34-P68 HydrophobicContact CG-CG 4.19Å; I37-P68 HydrophobicContact CD1-CB 3.67Å; N64-P68 WeakPolarHBondContact O-CD 3.26Å; L65-P68 WeakPolarHBondContact O-CD 3.42Å; P68-C72 WeakPolarHBondContact O-CB 3.35Å; P68-C72 PolarHBondContact O-N 3.26Å; P68-C72 VanDerWaalsContact O-N 3.07Å
69V91.5Very high85.5Confident1 Ų145.3 Ų45.31%0.00622%0.217CC..Hα-helixtrans-67.6-44.7178.9172.10000111.4I37 L65 I66 G67 C72 L73 C86 I89 F90 L93I37-V69 HydrophobicContact CD1-CG2 3.69Å; L65-V69 WeakPolarHBondContact O-CB 3.49Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.22Å; I66-V69 PolarHBondContact O-N 2.91Å; G67-V69 VanDerWaalsContact C-N 3.3Å; G67-V69 PolarHBondContact O-N 3.13Å; V69-C72 VanDerWaalsContact O-CB 3.31Å; V69-C72 WeakPolarHBondContact O-CB 3.47Å; V69-C72 PolarHBondContact O-N 3.24Å; V69-L73 HydrophobicContact CG1-CD1 4.22Å; V69-L73 WeakPolarHBondContact O-CG 3.39Å; V69-L73 PolarHBondContact O-N 3.05Å; V69-C86 HydrophobicContact CG1-CB 4.5Å; V69-I89 HydrophobicContact CG1-CG2 4.5Å; V69-I89 HydrophobicContact CG2-CG2 3.8Å; V69-F90 HydrophobicContact CG1-CB 3.83Å; V69-F90 HydrophobicContact CG1-CD2 4.48Å; V69-L93 HydrophobicContact CG2-CD1 4.34Å
70V90.9Very high84.4Confident2 Ų247.1 Ų47.11%0.01223%0.23CC..Hα-helixtrans-64.4-44.7179169.20000111I66 G67 C72 L73 L74 F90 L109 L124 L125I66-V70 HydrophobicContact CG2-CG2 3.87Å; I66-V70 WeakPolarHBondContact O-CB 3.28Å; I66-V70 VanDerWaalsContact O-CG2 3.27Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 2.96Å; G67-V70 PolarHBondContact O-N 3.38Å; V70-C72 PolarHBondContact O-N 3.23Å; V70-L73 WeakPolarHBondContact O-CB 3.16Å; V70-L73 PolarHBondContact O-N 3.18Å; V70-L74 HydrophobicContact CG1-CD1 3.96Å; V70-L74 HydrophobicContact CG1-CG 4.42Å; V70-L74 WeakPolarHBondContact O-CG 3.16Å; V70-L74 PolarHBondContact O-N 2.7Å; V70-F90 HydrophobicContact CG2-CD2 4.26Å; V70-F90 HydrophobicContact CG2-CE2 3.82Å; V70-F90 HydrophobicContact CG2-CZ 4.3Å; V70-L109 HydrophobicContact CB-CD1 4.2Å; V70-L109 HydrophobicContact CG1-CD1 4.48Å; V70-L109 HydrophobicContact CG2-CD1 4.07Å; V70-L124 HydrophobicContact CG1-CD2 4.1Å; V70-L125 HydrophobicContact CG1-CD1 4.46Å; V70-L125 HydrophobicContact CG1-CD2 4.15Å; V70-L125 HydrophobicContact CG2-CD2 3.71Å
71R89.3Confident83.5Confident115 Ų11549 Ų4943%0.43425%0.25SS..Hα-helixtrans-58.5-38.1173.6-70.2177.5-172.9157.22111.7G67 L74 C75 E112G67-R71 WeakPolarHBondContact O-CG 3.29Å; G67-R71 PolarHBondContact O-N 3.31Å; R71-L74 PolarHBondContact O-N 3.22Å; R71-C75 PolarHBondContact O-N 3.45Å; R71-C75 VanDerWaalsContact O-N 3.16Å; R71-E112 IonicContact CZ-OE1 3.39Å; R71-E112 IonicContact CZ-OE2 3.42Å; R71-E112 IonicContact NE-OE1 2.79Å; R71-E112 IonicContact NE-OE2 3.64Å; R71-E112 IonicContact NH2-OE1 2.71Å; R71-E112 PolarHBondContact NH2-OE1 3.21Å; R71-E112 IonicContact NH2-OE2 2.66Å; R71-E112 PolarHBondContact NH2-OE2 2.94Å
72C87.9Confident82.7Confident9 Ų953 Ų536%0.06127%0.267CS..Hα-helixtrans-65.9-37.2174.2-175.30000112.8I37 P68 V69 V70 K78 C86I37-C72 HydrophobicContact CG2-CB 3.78Å; P68-C72 WeakPolarHBondContact O-CB 3.35Å; P68-C72 PolarHBondContact O-N 3.26Å; P68-C72 VanDerWaalsContact O-N 3.07Å; V69-C72 VanDerWaalsContact O-CB 3.31Å; V69-C72 WeakPolarHBondContact O-CB 3.47Å; V69-C72 PolarHBondContact O-N 3.24Å; V70-C72 PolarHBondContact O-N 3.23Å; C72-K78 VanDerWaalsContact SG-CD 3.55Å; C72-K78 PolarHBondContact SG-NZ 3.06Å; C72-C86 PolarHBondContact SG-SG 2.96Å
73L87.3Confident82.2Confident1 Ų157.9 Ų57.91%0.00529%0.286CS..Hα-helixtrans-71.9-29.8177.9-72.6173.8000113.9V69 V70 R83 C86 F87 F90 L124V69-L73 HydrophobicContact CG1-CD1 4.22Å; V69-L73 WeakPolarHBondContact O-CG 3.39Å; V69-L73 PolarHBondContact O-N 3.05Å; V70-L73 WeakPolarHBondContact O-CB 3.16Å; V70-L73 PolarHBondContact O-N 3.18Å; L73-R83 HydrophobicContact CD2-CG 4.04Å; L73-R83 PolarHBondContact O-NE 3.07Å; L73-R83 PolarHBondContact O-NH2 3.28Å; L73-C86 HydrophobicContact CD2-CB 3.57Å; L73-C86 HydrophobicContact CG-CB 4.05Å; L73-F87 HydrophobicContact CD1-CD1 4.13Å; L73-F87 HydrophobicContact CD1-CE1 4.17Å; L73-F87 HydrophobicContact CD2-CD1 4.14Å; L73-F87 HydrophobicContact CD2-CD2 3.54Å; L73-F87 HydrophobicContact CD2-CE1 4.24Å; L73-F87 HydrophobicContact CD2-CE2 3.66Å; L73-F87 HydrophobicContact CD2-CG 3.79Å; L73-F87 HydrophobicContact CD2-CZ 4.01Å; L73-F90 HydrophobicContact CD1-CB 4.18Å; L73-F90 HydrophobicContact CD1-CD1 4.22Å; L73-F90 HydrophobicContact CD1-CG 4.24Å; L73-L124 HydrophobicContact CB-CD2 4.01Å; L73-L124 HydrophobicContact CD1-CD1 4.44Å; L73-L124 HydrophobicContact CD1-CD2 4.36Å
74L85.7Confident81.8Confident47 Ų4761.7 Ų61.725%0.24630%0.304CS..Hα-helixtrans-82.8-20.4177.6-66.5174.8000112.9V70 R71 K76 Q120 L124V70-L74 HydrophobicContact CG1-CD1 3.96Å; V70-L74 HydrophobicContact CG1-CG 4.42Å; V70-L74 WeakPolarHBondContact O-CG 3.16Å; V70-L74 PolarHBondContact O-N 2.7Å; R71-L74 PolarHBondContact O-N 3.22Å; L74-K76 PolarHBondContact O-N 2.85Å; L74-Q120 HydrophobicContact CD2-CB 3.86Å; L74-L124 HydrophobicContact CD2-CD2 3.86Å; L74-L124 HydrophobicContact CG-CD2 4.03Å
75C81.5Confident81.5Confident49 Ų4962.1 Ų62.133%0.33131%0.307SS..  trans-68.2119.5176.3-171.60000111.1R71 D77R71-C75 PolarHBondContact O-N 3.45Å; R71-C75 VanDerWaalsContact O-N 3.16Å; C75-D77 VanDerWaalsContact C-N 3.32Å; C75-D77 PolarHBondContact O-N 3.22Å
76K65.3Low81.2Confident163 Ų16362.1 Ų62.171%0.70931%0.307SS*.THydrogen-bonded Turntrans-77.7-11.1-175-66.7-173.5178.6-177.80114.6L74L74-K76 PolarHBondContact O-N 2.85Å
77D61.3Low81.1Confident155 Ų15565.6 Ų65.683%0.82932%0.322SS*.THydrogen-bonded Turntrans-95.56.6-169.2-59.5-37.1000114.4C75C75-D77 VanDerWaalsContact C-N 3.32Å; C75-D77 PolarHBondContact O-N 3.22Å
78K61.7Low81.1Confident71 Ų7169.4 Ų69.431%0.30934%0.339SS..SBendtrans-99142.8-176-66.6-167178-1690112.8C72C72-K78 VanDerWaalsContact SG-CD 3.55Å; C72-K78 PolarHBondContact SG-NZ 3.06Å
79E68.8Low81.1Confident123 Ų12369 Ų6958%0.57534%0.336SS*.  trans-52.3135.8174.4-67.4169.9149.500111.9A81 K82 R83E79-A81 PolarHBondContact O-N 2.98Å; E79-K82 PolarHBondContact O-N 2.83Å; E79-K82 VanDerWaalsContact OE2-CE 3.29Å; E79-K82 WeakPolarHBondContact OE2-CE 3.23Å; E79-K82 IonicContact OE2-NZ 2.75Å; E79-K82 PolarHBondContact OE2-NZ 3.41Å; E79-R83 PolarHBondContact O-N 3.18Å
80D70.9Confident81.3Confident121 Ų12169.1 Ų69.165%0.64734%0.337SS*.Hα-helixtrans-52.7-32.5-178.8-78.2-29.3000113.7R83 K84D80-R83 PolarHBondContact O-N 3.38Å; D80-K84 WeakPolarHBondContact O-CG 3.24Å; D80-K84 PolarHBondContact O-N 3.46Å; D80-K84 VanDerWaalsContact O-N 3.17Å
81A71.6Confident81.4Confident67 Ų6773.1 Ų73.155%0.55436%0.358SS*.Hα-helixtrans-64.4-46.4177.500000112.1E79 R83 K84 V85E79-A81 PolarHBondContact O-N 2.98Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 2.87Å; A81-K84 PolarHBondContact O-N 2.74Å; A81-V85 PolarHBondContact O-N 2.95Å
82K74.9Confident81.6Confident83 Ų8369.5 Ų69.536%0.36135%0.347SS..Hα-helixtrans-66.3-36.1178.8-70.9175.5179.7146.40111.4I42 E79 K84 V85 C86I42-K82 HydrophobicContact CD1-CB 3.94Å; I42-K82 HydrophobicContact CD1-CD 4.49Å; I42-K82 HydrophobicContact CD1-CG 4.24Å; E79-K82 PolarHBondContact O-N 2.83Å; E79-K82 VanDerWaalsContact OE2-CE 3.29Å; E79-K82 WeakPolarHBondContact OE2-CE 3.23Å; E79-K82 IonicContact OE2-NZ 2.75Å; E79-K82 PolarHBondContact OE2-NZ 3.41Å; K82-K84 VanDerWaalsContact C-N 3.35Å; K82-K84 PolarHBondContact O-N 3.4Å; K82-V85 PolarHBondContact O-N 3.34Å; K82-C86 PolarHBondContact O-N 3.41Å; K82-C86 PolarHBondContact O-SG 3.22Å
83R81.3Confident81.9Confident102 Ų10269.1 Ų69.139%0.38534%0.344SS..Hα-helixtrans-62.1-40.9175.9-163.4175.7-171.3-174.72.5112.2L73 E79 D80 A81 C86 F87L73-R83 HydrophobicContact CD2-CG 4.04Å; L73-R83 PolarHBondContact O-NE 3.07Å; L73-R83 PolarHBondContact O-NH2 3.28Å; E79-R83 PolarHBondContact O-N 3.18Å; D80-R83 PolarHBondContact O-N 3.38Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 2.87Å; R83-C86 PolarHBondContact O-N 2.98Å; R83-F87 HydrophobicContact CG-CD2 4.22Å; R83-F87 HydrophobicContact CG-CE2 4.04Å; R83-F87 VanDerWaalsContact O-CD2 3.3Å; R83-F87 WeakPolarHBondContact O-CD2 3.47Å; R83-F87 PolarHBondContact O-N 3.36Å
84K85.3Confident82.2Confident147 Ų14769.4 Ų69.464%0.63935%0.347SS*.Hα-helixtrans-61.4-42.8175-71.3173.3-175.4179.80112.3D80 A81 K82 F87 L88D80-K84 WeakPolarHBondContact O-CG 3.24Å; D80-K84 PolarHBondContact O-N 3.46Å; D80-K84 VanDerWaalsContact O-N 3.17Å; A81-K84 PolarHBondContact O-N 2.74Å; K82-K84 VanDerWaalsContact C-N 3.35Å; K82-K84 PolarHBondContact O-N 3.4Å; K84-F87 WeakPolarHBondContact O-CB 3.36Å; K84-F87 PolarHBondContact O-N 2.88Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.49Å
85V86.5Confident82.6Confident22 Ų2274.7 Ų74.713%0.13337%0.367CS..Hα-helixtrans-66.2-39.5177.7-172.30000110.9I42 L46 A81 K82 F87 L88 I89I42-V85 HydrophobicContact CB-CG1 4.47Å; I42-V85 HydrophobicContact CG2-CB 3.94Å; I42-V85 HydrophobicContact CG2-CG1 3.57Å; L46-V85 HydrophobicContact CB-CG1 4.33Å; L46-V85 HydrophobicContact CD2-CG1 3.87Å; A81-V85 PolarHBondContact O-N 2.95Å; K82-V85 PolarHBondContact O-N 3.34Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 2.97Å; V85-L88 WeakPolarHBondContact O-CB 3.45Å; V85-L88 PolarHBondContact O-N 3.35Å; V85-I89 HydrophobicContact CG1-CD1 4.45Å; V85-I89 WeakPolarHBondContact O-CG1 3.1Å; V85-I89 PolarHBondContact O-N 2.92Å
86C88.1Confident83.1Confident0 Ų074.9 Ų74.90%037%0.365CS..Hα-helixtrans-61-38.8172.6-71.60000113.1V69 C72 L73 K82 R83 I89 F90V69-C86 HydrophobicContact CG1-CB 4.5Å; C72-C86 PolarHBondContact SG-SG 2.96Å; L73-C86 HydrophobicContact CD2-CB 3.57Å; L73-C86 HydrophobicContact CG-CB 4.05Å; K82-C86 PolarHBondContact O-N 3.41Å; K82-C86 PolarHBondContact O-SG 3.22Å; R83-C86 PolarHBondContact O-N 2.98Å; C86-I89 PolarHBondContact O-N 2.88Å; C86-F90 WeakPolarHBondContact O-CB 3.4Å; C86-F90 PolarHBondContact O-N 3.36Å
87F89.3Confident84.5Confident77 Ų7767.4 Ų67.434%0.33833%0.333SS..Hα-helixtrans-62.5-43.1173.6-88.6-68.7000111.6L73 R83 K84 V85 I89 F90 D91 L124L73-F87 HydrophobicContact CD1-CD1 4.13Å; L73-F87 HydrophobicContact CD1-CE1 4.17Å; L73-F87 HydrophobicContact CD2-CD1 4.14Å; L73-F87 HydrophobicContact CD2-CD2 3.54Å; L73-F87 HydrophobicContact CD2-CE1 4.24Å; L73-F87 HydrophobicContact CD2-CE2 3.66Å; L73-F87 HydrophobicContact CD2-CG 3.79Å; L73-F87 HydrophobicContact CD2-CZ 4.01Å; R83-F87 HydrophobicContact CG-CD2 4.22Å; R83-F87 HydrophobicContact CG-CE2 4.04Å; R83-F87 VanDerWaalsContact O-CD2 3.3Å; R83-F87 WeakPolarHBondContact O-CD2 3.47Å; R83-F87 PolarHBondContact O-N 3.36Å; K84-F87 WeakPolarHBondContact O-CB 3.36Å; K84-F87 PolarHBondContact O-N 2.88Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 2.97Å; F87-I89 VanDerWaalsContact C-N 3.35Å; F87-I89 PolarHBondContact O-N 3.45Å; F87-F90 WeakPolarHBondContact O-CB 3.47Å; F87-F90 PolarHBondContact O-N 3.45Å; F87-D91 PolarHBondContact O-N 2.91Å; F87-L124 HydrophobicContact CE1-CD1 3.67Å; F87-L124 HydrophobicContact CZ-CD1 4.04Å
88L92Very high86Confident93 Ų9362 Ų6249%0.48730%0.304SS..Hα-helixtrans-61.7-42.4175.8-68.9170.5000112.3K84 V85 F90 L92K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.49Å; V85-L88 WeakPolarHBondContact O-CB 3.45Å; V85-L88 PolarHBondContact O-N 3.35Å; L88-F90 VanDerWaalsContact C-N 3.34Å; L88-L92 WeakPolarHBondContact O-CB 3.47Å; L88-L92 WeakPolarHBondContact O-CD1 3.47Å; L88-L92 WeakPolarHBondContact O-CG 3.27Å; L88-L92 PolarHBondContact O-N 3.49Å
89I93.3Very high87.5Confident1 Ų160 Ų601%0.00530%0.298CS..Hα-helixtrans-60.8-46.8174.3-70.2173.5000110I42 L45 L46 I49 V69 V85 C86 F87 D91 L92 L93I42-I89 HydrophobicContact CG2-CD1 3.52Å; L45-I89 HydrophobicContact CB-CD1 4.38Å; L45-I89 HydrophobicContact CD2-CD1 4.18Å; L45-I89 HydrophobicContact CG-CD1 4.29Å; L46-I89 HydrophobicContact CB-CD1 4.14Å; L46-I89 HydrophobicContact CB-CG1 3.94Å; L46-I89 HydrophobicContact CD1-CG1 3.81Å; L46-I89 HydrophobicContact CG-CG1 4.43Å; I49-I89 HydrophobicContact CD1-CG1 4.48Å; I49-I89 HydrophobicContact CD1-CG2 3.66Å; V69-I89 HydrophobicContact CG1-CG2 4.5Å; V69-I89 HydrophobicContact CG2-CG2 3.8Å; V85-I89 HydrophobicContact CG1-CD1 4.45Å; V85-I89 WeakPolarHBondContact O-CG1 3.1Å; V85-I89 PolarHBondContact O-N 2.92Å; C86-I89 PolarHBondContact O-N 2.88Å; F87-I89 VanDerWaalsContact C-N 3.35Å; F87-I89 PolarHBondContact O-N 3.45Å; I89-D91 PolarHBondContact O-N 3.18Å; I89-L92 PolarHBondContact O-N 3.32Å; I89-L93 HydrophobicContact CG2-CD1 3.94Å; I89-L93 HydrophobicContact CG2-CG 4.25Å; I89-L93 WeakPolarHBondContact O-CG 3.22Å; I89-L93 PolarHBondContact O-N 2.99Å
90F94.3Very high88.6Confident4 Ų459.5 Ų59.52%0.01830%0.295CS..Hα-helixtrans-58.9-49179.8-177-127.7000111.9I66 V69 V70 L73 C86 F87 L88 L92 L93 V94 L106 L125 P128I66-F90 HydrophobicContact CD1-CD2 4.23Å; I66-F90 HydrophobicContact CD1-CE2 3.97Å; I66-F90 HydrophobicContact CG2-CE2 4.07Å; V69-F90 HydrophobicContact CG1-CB 3.83Å; V69-F90 HydrophobicContact CG1-CD2 4.48Å; V70-F90 HydrophobicContact CG2-CD2 4.26Å; V70-F90 HydrophobicContact CG2-CE2 3.82Å; V70-F90 HydrophobicContact CG2-CZ 4.3Å; L73-F90 HydrophobicContact CD1-CB 4.18Å; L73-F90 HydrophobicContact CD1-CD1 4.22Å; L73-F90 HydrophobicContact CD1-CG 4.24Å; C86-F90 WeakPolarHBondContact O-CB 3.4Å; C86-F90 PolarHBondContact O-N 3.36Å; F87-F90 WeakPolarHBondContact O-CB 3.47Å; F87-F90 PolarHBondContact O-N 3.45Å; L88-F90 VanDerWaalsContact C-N 3.34Å; F90-L92 VanDerWaalsContact C-N 3.3Å; F90-L92 PolarHBondContact O-N 3.12Å; F90-L93 PolarHBondContact O-N 3.29Å; F90-V94 HydrophobicContact CD2-CG2 4.35Å; F90-V94 HydrophobicContact CE2-CG2 4.12Å; F90-V94 HydrophobicContact CZ-CG2 4.33Å; F90-V94 WeakPolarHBondContact O-CG2 3.23Å; F90-V94 PolarHBondContact O-N 3.24Å; F90-L106 HydrophobicContact CE2-CD2 4.2Å; F90-L106 HydrophobicContact CZ-CD2 4.31Å; F90-L125 HydrophobicContact CE2-CD2 4.28Å; F90-L125 HydrophobicContact CZ-CD2 3.69Å; F90-P128 HydrophobicContact CD1-CG 4.43Å; F90-P128 HydrophobicContact CE1-CB 4.1Å; F90-P128 HydrophobicContact CE1-CG 3.28Å; F90-P128 HydrophobicContact CZ-CB 3.76Å; F90-P128 HydrophobicContact CZ-CG 3.4Å
91D93.4Very high89.6Confident85 Ų8556.9 Ų56.946%0.45528%0.278SS..Hα-helixtrans-60.1-40176.9-71.7-19000112.1F87 I89 V94 K95F87-D91 PolarHBondContact O-N 2.91Å; I89-D91 PolarHBondContact O-N 3.18Å; D91-V94 PolarHBondContact O-N 3.28Å; D91-K95 WeakPolarHBondContact O-CB 3.25Å; D91-K95 PolarHBondContact O-N 3.47Å
92L93.9Very high90.6Very high40 Ų4053.8 Ų53.821%0.20925%0.253CS..Hα-helixtrans-65-44.3175.9-80.7163.6000111.9L46 I49 Q50 L88 I89 F90 K95 L96L46-L92 HydrophobicContact CD1-CD1 3.32Å; I49-L92 HydrophobicContact CG2-CB 4.09Å; I49-L92 HydrophobicContact CG2-CD1 4.47Å; Q50-L92 HydrophobicContact CG-CD1 3.9Å; L88-L92 WeakPolarHBondContact O-CB 3.47Å; L88-L92 WeakPolarHBondContact O-CD1 3.47Å; L88-L92 WeakPolarHBondContact O-CG 3.27Å; L88-L92 PolarHBondContact O-N 3.49Å; I89-L92 PolarHBondContact O-N 3.32Å; F90-L92 VanDerWaalsContact C-N 3.3Å; F90-L92 PolarHBondContact O-N 3.12Å; L92-K95 WeakPolarHBondContact O-CB 3.42Å; L92-K95 PolarHBondContact O-N 3.22Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L92-L96 HydrophobicContact CD2-CD1 4.3Å; L92-L96 WeakPolarHBondContact O-CB 3.1Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.34Å
93L94.5Very high91.6Very high0 Ų050.2 Ų50.20%024%0.237CC..Hα-helixtrans-61.7-45.3176.6-68.5176.4000110.8I49 I58 L65 I66 V69 I89 F90 K95 L96 C97I49-L93 HydrophobicContact CD1-CD2 4.15Å; I58-L93 HydrophobicContact CG2-CD2 4.24Å; L65-L93 HydrophobicContact CB-CD1 3.88Å; I66-L93 HydrophobicContact CD1-CB 4.27Å; I66-L93 HydrophobicContact CG1-CB 4.23Å; I66-L93 HydrophobicContact CG1-CD1 4.11Å; V69-L93 HydrophobicContact CG2-CD1 4.34Å; I89-L93 HydrophobicContact CG2-CD1 3.94Å; I89-L93 HydrophobicContact CG2-CG 4.25Å; I89-L93 WeakPolarHBondContact O-CG 3.22Å; I89-L93 PolarHBondContact O-N 2.99Å; F90-L93 PolarHBondContact O-N 3.29Å; L93-K95 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 3.08Å; L93-C97 VanDerWaalsContact O-CB 3.26Å; L93-C97 WeakPolarHBondContact O-CB 3.43Å; L93-C97 PolarHBondContact O-N 3.46Å; L93-C97 PolarHBondContact O-SG 3.2Å
94V93.9Very high92.2Very high8 Ų850.4 Ų50.45%0.04825%0.245CC..Hα-helixtrans-59.5-32.8175.4173.90000111.8I66 F90 D91 P128 T131 V132 K135I66-V94 HydrophobicContact CD1-CG2 4.34Å; F90-V94 HydrophobicContact CD2-CG2 4.35Å; F90-V94 HydrophobicContact CE2-CG2 4.12Å; F90-V94 HydrophobicContact CZ-CG2 4.33Å; F90-V94 WeakPolarHBondContact O-CG2 3.23Å; F90-V94 PolarHBondContact O-N 3.24Å; D91-V94 PolarHBondContact O-N 3.28Å; V94-P128 HydrophobicContact CG2-CB 3.96Å; V94-T131 HydrophobicContact CG1-CG2 4.15Å; V94-V132 HydrophobicContact CG1-CG2 4.06Å; V94-K135 PolarHBondContact O-NZ 3.16Å
95K92.9Very high92.6Very high157 Ų15743.8 Ų43.868%0.68322%0.219SC*.Hα-helixtrans-76.1-43.1178.2-167.2171.3-178.8177.80113.3D91 L92 L93 K135D91-K95 WeakPolarHBondContact O-CB 3.25Å; D91-K95 PolarHBondContact O-N 3.47Å; L92-K95 WeakPolarHBondContact O-CB 3.42Å; L92-K95 PolarHBondContact O-N 3.22Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L93-K95 PolarHBondContact O-N 3.33Å; K95-K135 PolarHBondContact O-NZ 2.94Å
96L92.6Very high93.1Very high53 Ų5342.8 Ų42.828%0.27721%0.213SC..Hα-helixtrans-97-29.2-165.1-63.2175.5000114.4I49 I58 K59 L92 L93I49-L96 HydrophobicContact CG2-CD1 4.17Å; I58-L96 HydrophobicContact CG2-CB 3.94Å; I58-L96 HydrophobicContact CG2-CD1 4.08Å; K59-L96 WeakPolarHBondContact CA-O 3.44Å; L92-L96 HydrophobicContact CD2-CD1 4.3Å; L92-L96 WeakPolarHBondContact O-CB 3.1Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.34Å; L93-L96 PolarHBondContact O-N 3.08Å
97C94.4Very high93.5Very high6 Ų643.1 Ų43.14%0.04122%0.215CC..SBendtrans-73.8157-175.5-63.40000113I58 W63 L93 L102I58-C97 PolarHBondContact O-SG 2.96Å; W63-C97 HydrophobicContact CB-CB 4.35Å; W63-C97 PolarHBondContact N-SG 3.26Å; W63-C97 VanDerWaalsContact N-SG 3.38Å; L93-C97 VanDerWaalsContact O-CB 3.26Å; L93-C97 WeakPolarHBondContact O-CB 3.43Å; L93-C97 PolarHBondContact O-N 3.46Å; L93-C97 PolarHBondContact O-SG 3.2Å; C97-L102 HydrophobicContact CB-CD1 3.84Å; C97-L102 HydrophobicContact CB-CD2 4.25Å; C97-L102 HydrophobicContact CB-CG 4.49Å
98N92.3Very high93.7Very high41 Ų4145.5 Ų45.522%0.21923%0.227CC..  trans-63.6123.9173.2-178.4-12.5000110K59 K100 E101 L102K59-N98 PolarHBondContact O-N 3.18Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.49Å; N98-K100 PolarHBondContact OD1-N 3.44Å; N98-E101 WeakPolarHBondContact CB-OE2 3.39Å; N98-E101 PolarHBondContact ND2-OE1 3.39Å; N98-E101 PolarHBondContact ND2-OE2 3.17Å; N98-E101 PolarHBondContact OD1-OE2 3.49Å; N98-E101 VanDerWaalsContact OD1-OE2 3.12Å; N98-L102 VanDerWaalsContact O-CB 3.24Å; N98-L102 WeakPolarHBondContact O-CB 3.3Å; N98-L102 PolarHBondContact O-N 2.72Å
99P92.8Very high93.8Very high30 Ų3041.7 Ų41.720%0.19521%0.207CC..Hα-helixtrans-67-20.5-170.226.2-37.2000114.5L103 V132 K135 L136P99-L103 WeakPolarHBondContact O-CB 3.5Å; P99-L103 PolarHBondContact O-N 3Å; P99-V132 HydrophobicContact CB-CG1 3.9Å; P99-V132 VanDerWaalsContact O-CG1 3.23Å; P99-V132 WeakPolarHBondContact O-CG1 3.29Å; P99-K135 HydrophobicContact CB-CB 4.21Å; P99-K135 HydrophobicContact CG-CB 4.37Å; P99-L136 HydrophobicContact CB-CD2 3.73Å; P99-L136 HydrophobicContact CB-CG 4Å; P99-L136 HydrophobicContact CG-CD2 3.74Å; P99-L136 HydrophobicContact CG-CG 4.41Å
100K91.8Very high93.9Very high113 Ų11341.6 Ų41.649%0.49121%0.206SC..Hα-helixtrans-70.4-53.1-178.9-73-174.6178.1-176.70111.8N98 L102 L103 L104 L136N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.49Å; N98-K100 PolarHBondContact OD1-N 3.44Å; K100-L102 VanDerWaalsContact C-N 3.31Å; K100-L103 PolarHBondContact O-N 3.26Å; K100-L104 PolarHBondContact O-N 3.32Å; K100-L136 HydrophobicContact CG-CD2 3.79Å
101E92Very high93.9Very high66 Ų6647.3 Ų47.331%0.30823%0.233SC..Hα-helixtrans-70.5-35.4179.9-5973.6-163.300109.8W63 N98 L103 L104 G105W63-E101 HydrophobicContact CD2-CB 3.99Å; W63-E101 HydrophobicContact CG-CB 3.94Å; N98-E101 WeakPolarHBondContact CB-OE2 3.39Å; N98-E101 PolarHBondContact ND2-OE1 3.39Å; N98-E101 PolarHBondContact ND2-OE2 3.17Å; N98-E101 PolarHBondContact OD1-OE2 3.49Å; N98-E101 VanDerWaalsContact OD1-OE2 3.12Å; E101-L103 PolarHBondContact O-N 3.07Å; E101-L104 PolarHBondContact O-N 3.28Å; E101-G105 PolarHBondContact O-N 3.31Å
102L94.4Very high93.8Very high2 Ų248.3 Ų48.31%0.0124%0.235CC..Hα-helixtrans-62.4-41.7176.1-160.969.5000112.9W63 I66 C97 N98 K100 L104 G105 L106 V132W63-L102 HydrophobicContact CB-CD1 3.74Å; I66-L102 HydrophobicContact CD1-CD1 3.23Å; I66-L102 HydrophobicContact CD1-CG 4.16Å; I66-L102 HydrophobicContact CG1-CD1 3.84Å; C97-L102 HydrophobicContact CB-CD1 3.84Å; C97-L102 HydrophobicContact CB-CD2 4.25Å; C97-L102 HydrophobicContact CB-CG 4.49Å; N98-L102 VanDerWaalsContact O-CB 3.24Å; N98-L102 WeakPolarHBondContact O-CB 3.3Å; N98-L102 PolarHBondContact O-N 2.72Å; K100-L102 VanDerWaalsContact C-N 3.31Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.46Å; L102-G105 PolarHBondContact O-N 3.28Å; L102-L106 HydrophobicContact CG-CD1 4.41Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 VanDerWaalsContact O-CG 3.25Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 3.04Å; L102-V132 HydrophobicContact CB-CG1 4.28Å; L102-V132 HydrophobicContact CD2-CB 4.49Å; L102-V132 HydrophobicContact CD2-CG1 4.34Å; L102-V132 HydrophobicContact CD2-CG2 3.31Å; L102-V132 HydrophobicContact CG-CG2 4.01Å
103L95Very high93.7Very high7 Ų747.1 Ų47.14%0.03723%0.23CC..Hα-helixtrans-57.3-49.8174.8173.165.2000110.3P99 K100 E101 L106 L107 L129 V132 I133 L136 S142P99-L103 WeakPolarHBondContact O-CB 3.5Å; P99-L103 PolarHBondContact O-N 3Å; K100-L103 PolarHBondContact O-N 3.26Å; E101-L103 PolarHBondContact O-N 3.07Å; L103-L106 PolarHBondContact O-N 3.47Å; L103-L107 HydrophobicContact CD1-CD1 4.03Å; L103-L107 HydrophobicContact CD1-CG 4.23Å; L103-L107 HydrophobicContact CG-CD1 4.04Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å; L103-L107 PolarHBondContact O-N 3.01Å; L103-L129 HydrophobicContact CD1-CD1 3.55Å; L103-V132 HydrophobicContact CB-CG1 4.08Å; L103-I133 HydrophobicContact CD1-CD1 4.35Å; L103-I133 HydrophobicContact CD1-CG1 3.99Å; L103-L136 HydrophobicContact CB-CD1 4.44Å; L103-L136 HydrophobicContact CD2-CD1 3.82Å; L103-S142 WeakPolarHBondContact CD2-OG 3.4Å
104L94.3Very high93.5Very high107 Ų10751.5 Ų51.556%0.5626%0.26SS*.Hα-helixtrans-62.6-45.6-178.9-63.4175.9000111.8K100 E101 L102 L106 L107 E108 L145K100-L104 PolarHBondContact O-N 3.32Å; E101-L104 PolarHBondContact O-N 3.28Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.46Å; L104-L106 VanDerWaalsContact C-N 3.32Å; L104-L106 PolarHBondContact O-N 3.19Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-L107 VanDerWaalsContact O-N 3.17Å; L104-E108 PolarHBondContact O-N 2.94Å; L104-L145 HydrophobicContact CD2-CD2 4.22Å
105G94Very high93.4Very high8 Ų852.8 Ų52.88%0.08228%0.275CS..Hα-helixtrans-63-35.5177.500000113.3E101 L102 L109E101-G105 PolarHBondContact O-N 3.31Å; L102-G105 PolarHBondContact O-N 3.28Å; G105-L109 WeakPolarHBondContact O-CD1 3.37Å; G105-L109 VanDerWaalsContact O-CG 3.28Å; G105-L109 WeakPolarHBondContact O-CG 3.48Å; G105-L109 PolarHBondContact O-N 3.01Å
106L95.8Very high93.3Very high0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-68.4-39.1173.8-70.5171.6000112.1I66 F90 L102 L103 L104 L109 I110 L125 P128 L129 V132I66-L106 HydrophobicContact CD1-CD2 4.23Å; I66-L106 HydrophobicContact CG2-CD2 3.92Å; F90-L106 HydrophobicContact CE2-CD2 4.2Å; F90-L106 HydrophobicContact CZ-CD2 4.31Å; L102-L106 HydrophobicContact CG-CD1 4.41Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 VanDerWaalsContact O-CG 3.25Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 3.04Å; L103-L106 PolarHBondContact O-N 3.47Å; L104-L106 VanDerWaalsContact C-N 3.32Å; L104-L106 PolarHBondContact O-N 3.19Å; L106-L109 PolarHBondContact O-N 3.49Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.99Å; L106-I110 VanDerWaalsContact O-N 3.13Å; L106-L125 HydrophobicContact CD2-CD2 3.95Å; L106-P128 HydrophobicContact CD1-CB 4.34Å; L106-L129 HydrophobicContact CB-CD1 3.95Å; L106-L129 HydrophobicContact CD1-CD1 4.2Å; L106-V132 HydrophobicContact CD1-CG2 3.9Å
107L96.4Very high93.2Very high8 Ų853.2 Ų53.24%0.04228%0.277CS..Hα-helixtrans-67.9-39178.4-67.4174.1000112.1L103 L104 L109 I110 E111 L129 L145 A146 T149L103-L107 HydrophobicContact CD1-CD1 4.03Å; L103-L107 HydrophobicContact CD1-CG 4.23Å; L103-L107 HydrophobicContact CG-CD1 4.04Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å; L103-L107 PolarHBondContact O-N 3.01Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-L107 VanDerWaalsContact O-N 3.17Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 PolarHBondContact O-N 3.43Å; L107-I110 HydrophobicContact CD2-CD1 4.4Å; L107-I110 WeakPolarHBondContact O-CB 3.29Å; L107-I110 PolarHBondContact O-N 2.89Å; L107-I110 VanDerWaalsContact O-N 3.15Å; L107-E111 PolarHBondContact O-N 3.27Å; L107-L129 HydrophobicContact CD2-CD1 4.03Å; L107-L129 HydrophobicContact CD2-CD2 4.25Å; L107-L129 HydrophobicContact CG-CD1 4.34Å; L107-L145 HydrophobicContact CD1-CD2 3.63Å; L107-L145 HydrophobicContact CD1-CG 3.7Å; L107-A146 HydrophobicContact CD2-CB 4.14Å; L107-T149 HydrophobicContact CB-CG2 4.44Å; L107-T149 HydrophobicContact CD2-CG2 4.25Å
108E94.8Very high93.3Very high127 Ų12753 Ų5359%0.59328%0.275SS*.Hα-helixtrans-57.5-42.7173.6-173.9-177.1169.200111.3L104 I110 E111 E112L104-E108 PolarHBondContact O-N 2.94Å; E108-I110 VanDerWaalsContact C-N 3.31Å; E108-I110 PolarHBondContact O-N 2.97Å; E108-E111 PolarHBondContact O-N 3.46Å; E108-E111 VanDerWaalsContact O-N 3.1Å; E108-E112 PolarHBondContact O-N 3.28Å
109L93.9Very high93.4Very high12 Ų1251.5 Ų51.56%0.06327%0.268CS..Hα-helixtrans-72.4-23.5178.7-65.4166.9000113.9I66 V70 G105 L106 L107 P113 L125I66-L109 HydrophobicContact CG2-CD1 3.49Å; I66-L109 VanDerWaalsContact CG2-CD1 3.49Å; V70-L109 HydrophobicContact CB-CD1 4.2Å; V70-L109 HydrophobicContact CG1-CD1 4.48Å; V70-L109 HydrophobicContact CG2-CD1 4.07Å; G105-L109 WeakPolarHBondContact O-CD1 3.37Å; G105-L109 VanDerWaalsContact O-CG 3.28Å; G105-L109 WeakPolarHBondContact O-CG 3.48Å; G105-L109 PolarHBondContact O-N 3.01Å; L106-L109 PolarHBondContact O-N 3.49Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 PolarHBondContact O-N 3.43Å; L109-P113 WeakPolarHBondContact O-CD 3.25Å; L109-L125 HydrophobicContact CB-CD1 3.77Å
110I94.9Very high93.4Very high0 Ų053.4 Ų53.40%027%0.274CS..Hα-helixtrans-73.5-34.2170-71.3165.9000109.8L106 L107 E108 P113 I122 L125 L129 T149 L150 Q153L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.99Å; L106-I110 VanDerWaalsContact O-N 3.13Å; L107-I110 HydrophobicContact CD2-CD1 4.4Å; L107-I110 WeakPolarHBondContact O-CB 3.29Å; L107-I110 PolarHBondContact O-N 2.89Å; L107-I110 VanDerWaalsContact O-N 3.15Å; E108-I110 VanDerWaalsContact C-N 3.31Å; E108-I110 PolarHBondContact O-N 2.97Å; I110-P113 VanDerWaalsContact O-CD 3.31Å; I110-P113 WeakPolarHBondContact O-CD 3.47Å; I110-I122 HydrophobicContact CG2-CG1 4.33Å; I110-L125 HydrophobicContact CD1-CB 4.2Å; I110-L125 HydrophobicContact CG1-CB 4.11Å; I110-L125 HydrophobicContact CG1-CD1 3.72Å; I110-L129 HydrophobicContact CD1-CD2 3.98Å; I110-T149 HydrophobicContact CG2-CG2 4.13Å; I110-L150 HydrophobicContact CD1-CD2 3.89Å; I110-L150 HydrophobicContact CD1-CG 4.48Å; I110-L150 HydrophobicContact CG2-CD2 4.13Å; I110-Q153 HydrophobicContact CG2-CB 4.41Å; I110-Q153 HydrophobicContact CG2-CG 4.17Å; I110-Q153 VanDerWaalsContact O-CG 3.31Å; I110-Q153 WeakPolarHBondContact O-CG 3.29Å
111E93.9Very high93.6Very high124 Ų12448.3 Ų48.358%0.57925%0.253SS*.Hα-helixtrans-81.7-29.5-177.7-167.2172.6176.400114.2L107 E108 T149 Q153L107-E111 PolarHBondContact O-N 3.27Å; E108-E111 PolarHBondContact O-N 3.46Å; E108-E111 VanDerWaalsContact O-N 3.1Å; E111-T149 HydrophobicContact CB-CG2 4.45Å; E111-Q153 PolarHBondContact O-NE2 3.02Å
112E90.8Very high93.7Very high106 Ų10645.1 Ų45.150%0.49524%0.238SC..SBendtrans-57.2-45.9179.9-169.8179.6-174.300116.1R71 E108R71-E112 IonicContact CZ-OE1 3.39Å; R71-E112 IonicContact CZ-OE2 3.42Å; R71-E112 IonicContact NE-OE1 2.79Å; R71-E112 IonicContact NE-OE2 3.64Å; R71-E112 IonicContact NH2-OE1 2.71Å; R71-E112 PolarHBondContact NH2-OE1 3.21Å; R71-E112 IonicContact NH2-OE2 2.66Å; R71-E112 PolarHBondContact NH2-OE2 2.94Å; E108-E112 PolarHBondContact O-N 3.28Å
113P91.4Very high93.8Very high15 Ų1548.3 Ų48.310%0.09726%0.255CS..  trans-72.7157.3-172.931.7-39.7000113.2L109 I110 Q117 I118 Q153L109-P113 WeakPolarHBondContact O-CD 3.25Å; I110-P113 VanDerWaalsContact O-CD 3.31Å; I110-P113 WeakPolarHBondContact O-CD 3.47Å; P113-Q117 HydrophobicContact CB-CB 4.05Å; P113-I118 HydrophobicContact CB-CG1 4.32Å; P113-I118 HydrophobicContact CG-CG1 4.27Å; P113-I118 WeakPolarHBondContact O-CG1 3.45Å; P113-Q153 PolarHBondContact O-OE1 2.92Å
114S91.1Very high93.8Very high91 Ų9149.5 Ų49.564%0.63626%0.261SS*.  trans-133.2157.3171.963.30000112.4K116 Q117S114-K116 PolarHBondContact O-N 3.1Å; S114-Q117 PolarHBondContact O-N 3.32Å
115G91.7Very high93.9Very high36 Ų3644.4 Ų44.437%0.37123%0.234SC..THydrogen-bonded Turntrans60.4-134.1178.800000113Q117 I118 L157G115-Q117 PolarHBondContact O-N 3.07Å; G115-Q117 VanDerWaalsContact O-N 3.14Å; G115-I118 WeakPolarHBondContact O-CB 3.19Å; G115-I118 WeakPolarHBondContact O-CG1 3.28Å; G115-I118 PolarHBondContact O-N 3.09Å; G115-L157 WeakPolarHBondContact O-CD2 3.48Å
116K90.2Very high94Very high95 Ų9544.6 Ų44.641%0.41323%0.233SC..THydrogen-bonded Turntrans-65.7-15.2-174.8-66.1-169.5172.3-161.30114.5S114 S119 D170 Y171S114-K116 PolarHBondContact O-N 3.1Å; K116-S119 PolarHBondContact O-OG 3.2Å; K116-D170 WeakPolarHBondContact CD-O 3.25Å; K116-D170 WeakPolarHBondContact CE-O 3.4Å; K116-D170 IonicContact NZ-OD2 2.88Å; K116-D170 PolarHBondContact NZ-OD2 3.26Å; K116-Y171 HydrophobicContact CG-CD1 3.68Å; K116-Y171 HydrophobicContact CG-CE1 3.72Å; K116-Y171 HydrophobicContact CG-CG 4.12Å
117Q91.7Very high93.9Very high124 Ų12449.9 Ų49.958%0.57926%0.258SS*.Hα-helixtrans-80.7-20.9-179.2-65.3-178.73.100112.7P113 S114 G115 S119 Q120 S121P113-Q117 HydrophobicContact CB-CB 4.05Å; S114-Q117 PolarHBondContact O-N 3.32Å; G115-Q117 PolarHBondContact O-N 3.07Å; G115-Q117 VanDerWaalsContact O-N 3.14Å; Q117-S119 VanDerWaalsContact C-N 3.29Å; Q117-S119 PolarHBondContact O-N 3.4Å; Q117-Q120 PolarHBondContact O-N 2.94Å; Q117-Q120 VanDerWaalsContact O-N 3.17Å; Q117-S121 PolarHBondContact O-N 3.34Å
118I95.1Very high93.9Very high1 Ų149.7 Ų49.71%0.00526%0.257CS..Hα-helixtrans-53.8-47.7179.6-68.2170.2000110.6P113 G115 Q120 S121 I122 Q153 L156 L157P113-I118 HydrophobicContact CB-CG1 4.32Å; P113-I118 HydrophobicContact CG-CG1 4.27Å; P113-I118 WeakPolarHBondContact O-CG1 3.45Å; G115-I118 WeakPolarHBondContact O-CB 3.19Å; G115-I118 WeakPolarHBondContact O-CG1 3.28Å; G115-I118 PolarHBondContact O-N 3.09Å; I118-Q120 VanDerWaalsContact C-N 3.32Å; I118-Q120 PolarHBondContact O-N 3.4Å; I118-S121 PolarHBondContact O-N 2.97Å; I118-I122 HydrophobicContact CG2-CD1 3.61Å; I118-I122 HydrophobicContact CG2-CG1 4.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.37Å; I118-I122 PolarHBondContact O-N 3.44Å; I118-Q153 HydrophobicContact CG2-CB 4.13Å; I118-L156 HydrophobicContact CD1-CB 4.19Å; I118-L156 HydrophobicContact CD1-CD1 4.44Å; I118-L157 HydrophobicContact CB-CD2 3.97Å; I118-L157 HydrophobicContact CD1-CD2 3.96Å; I118-L157 HydrophobicContact CG1-CD2 4.5Å; I118-L157 HydrophobicContact CG2-CD1 4.25Å; I118-L157 HydrophobicContact CG2-CD2 4.21Å; I118-L157 HydrophobicContact CG2-CG 4.27Å
119S95.3Very high93.9Very high10 Ų1043.6 Ų43.67%0.0723%0.229CC..Hα-helixtrans-62.8-38.4-177.651.90000112.9K116 Q117 I122 L123 Y171 C176K116-S119 PolarHBondContact O-OG 3.2Å; Q117-S119 VanDerWaalsContact C-N 3.29Å; Q117-S119 PolarHBondContact O-N 3.4Å; S119-I122 PolarHBondContact O-N 3.01Å; S119-L123 VanDerWaalsContact O-CB 3.29Å; S119-L123 WeakPolarHBondContact O-CB 3.42Å; S119-L123 WeakPolarHBondContact O-CG 3.4Å; S119-L123 PolarHBondContact O-N 3.48Å; S119-Y171 WeakPolarHBondContact CB-O 3.46Å; S119-Y171 PolarHBondContact OG-O 2.96Å; S119-C176 WeakPolarHBondContact CA-SG 3.43Å; S119-C176 WeakPolarHBondContact CB-SG 3.41Å
120Q93.5Very high94Very high69 Ų6944.7 Ų44.732%0.32223%0.234SC..Hα-helixtrans-65.7-42.1178.7-63168.524.300111.3L74 Q117 I118 L124L74-Q120 HydrophobicContact CD2-CB 3.86Å; Q117-Q120 PolarHBondContact O-N 2.94Å; Q117-Q120 VanDerWaalsContact O-N 3.17Å; I118-Q120 VanDerWaalsContact C-N 3.32Å; I118-Q120 PolarHBondContact O-N 3.4Å; Q120-L124 VanDerWaalsContact O-CB 3.25Å; Q120-L124 WeakPolarHBondContact O-CB 3.47Å; Q120-L124 PolarHBondContact O-N 3.42Å; Q120-L124 VanDerWaalsContact O-N 3.08Å
121S94.5Very high93.9Very high6 Ų646.5 Ų46.54%0.04224%0.244CC..Hα-helixtrans-66.1-46.8175.9-630000112Q117 I118 L124 L125Q117-S121 PolarHBondContact O-N 3.34Å; I118-S121 PolarHBondContact O-N 2.97Å; S121-L124 PolarHBondContact O-N 3.17Å; S121-L125 WeakPolarHBondContact O-CB 3.33Å; S121-L125 WeakPolarHBondContact O-CG 3.45Å; S121-L125 PolarHBondContact O-N 3.39Å
122I95.8Very high93.9Very high0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-58.1-53.9177.4-70.4177.2000110I110 I118 S119 L124 L125 L126 L150 Q153 L154 C176I110-I122 HydrophobicContact CG2-CG1 4.33Å; I118-I122 HydrophobicContact CG2-CD1 3.61Å; I118-I122 HydrophobicContact CG2-CG1 4.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.37Å; I118-I122 PolarHBondContact O-N 3.44Å; S119-I122 PolarHBondContact O-N 3.01Å; I122-L124 VanDerWaalsContact C-N 3.27Å; I122-L124 PolarHBondContact O-N 3.15Å; I122-L125 PolarHBondContact O-N 3.37Å; I122-L125 VanDerWaalsContact O-N 3.17Å; I122-L126 HydrophobicContact CG2-CD1 3.69Å; I122-L126 HydrophobicContact CG2-CD2 4.49Å; I122-L126 HydrophobicContact CG2-CG 3.94Å; I122-L126 VanDerWaalsContact O-CG 3.22Å; I122-L126 WeakPolarHBondContact O-CG 3.49Å; I122-L126 PolarHBondContact O-N 3.49Å; I122-L150 HydrophobicContact CG1-CD2 4.26Å; I122-L150 HydrophobicContact CG2-CD2 4.09Å; I122-Q153 HydrophobicContact CD1-CB 4.31Å; I122-L154 HydrophobicContact CD1-CD1 4.4Å; I122-C176 HydrophobicContact CG2-CB 4.43Å
123L95.8Very high94.1Very high68 Ų6835.5 Ų35.536%0.35619%0.193SC..Hα-helixtrans-61.2-35.3-176.8-67.9172.3000112.7S119 Q175 A179S119-L123 VanDerWaalsContact O-CB 3.29Å; S119-L123 WeakPolarHBondContact O-CB 3.42Å; S119-L123 WeakPolarHBondContact O-CG 3.4Å; S119-L123 PolarHBondContact O-N 3.48Å; L123-Q175 HydrophobicContact CD1-CB 4.35Å; L123-A179 HydrophobicContact CD2-CB 3.57Å
124L94.9Very high94.1Very high33 Ų3339.7 Ų39.717%0.17321%0.211CC..Hα-helixtrans-71.5-38.6177.4179.661.8000112.6V70 L73 L74 F87 Q120 S121 I122 P128V70-L124 HydrophobicContact CG1-CD2 4.1Å; L73-L124 HydrophobicContact CB-CD2 4.01Å; L73-L124 HydrophobicContact CD1-CD1 4.44Å; L73-L124 HydrophobicContact CD1-CD2 4.36Å; L74-L124 HydrophobicContact CD2-CD2 3.86Å; L74-L124 HydrophobicContact CG-CD2 4.03Å; F87-L124 HydrophobicContact CE1-CD1 3.67Å; F87-L124 HydrophobicContact CZ-CD1 4.04Å; Q120-L124 VanDerWaalsContact O-CB 3.25Å; Q120-L124 WeakPolarHBondContact O-CB 3.47Å; Q120-L124 PolarHBondContact O-N 3.42Å; Q120-L124 VanDerWaalsContact O-N 3.08Å; S121-L124 PolarHBondContact O-N 3.17Å; I122-L124 VanDerWaalsContact C-N 3.27Å; I122-L124 PolarHBondContact O-N 3.15Å; L124-P128 WeakPolarHBondContact O-CD 3.47Å
125L96.1Very high94Very high0 Ų039.8 Ų39.80%020%0.2CC..Hα-helixtrans-96.8-13.7-167.4-59.5176.7000114.2V70 F90 L106 L109 I110 S121 I122 Q127 P128 L129V70-L125 HydrophobicContact CG1-CD1 4.46Å; V70-L125 HydrophobicContact CG1-CD2 4.15Å; V70-L125 HydrophobicContact CG2-CD2 3.71Å; F90-L125 HydrophobicContact CE2-CD2 4.28Å; F90-L125 HydrophobicContact CZ-CD2 3.69Å; L106-L125 HydrophobicContact CD2-CD2 3.95Å; L109-L125 HydrophobicContact CB-CD1 3.77Å; I110-L125 HydrophobicContact CD1-CB 4.2Å; I110-L125 HydrophobicContact CG1-CB 4.11Å; I110-L125 HydrophobicContact CG1-CD1 3.72Å; S121-L125 WeakPolarHBondContact O-CB 3.33Å; S121-L125 WeakPolarHBondContact O-CG 3.45Å; S121-L125 PolarHBondContact O-N 3.39Å; I122-L125 PolarHBondContact O-N 3.37Å; I122-L125 VanDerWaalsContact O-N 3.17Å; L125-Q127 PolarHBondContact O-N 3.03Å; L125-P128 WeakPolarHBondContact O-CD 3.2Å; L125-L129 WeakPolarHBondContact O-CB 3.22Å; L125-L129 PolarHBondContact O-N 2.82Å
126L95.8Very high93.9Very high11 Ų1138.7 Ų38.76%0.05819%0.186CC..Hα-helixtrans-58.7-49.4-177.7-84.6171.6000114.1I122 L129 Q130 L150 A179 L180 F183I122-L126 HydrophobicContact CG2-CD1 3.69Å; I122-L126 HydrophobicContact CG2-CD2 4.49Å; I122-L126 HydrophobicContact CG2-CG 3.94Å; I122-L126 VanDerWaalsContact O-CG 3.22Å; I122-L126 WeakPolarHBondContact O-CG 3.49Å; I122-L126 PolarHBondContact O-N 3.49Å; L126-L129 WeakPolarHBondContact O-CB 3.34Å; L126-L129 PolarHBondContact O-N 3.36Å; L126-Q130 PolarHBondContact O-N 2.98Å; L126-L150 HydrophobicContact CD2-CD1 3.62Å; L126-L150 HydrophobicContact CD2-CD2 3.72Å; L126-L150 HydrophobicContact CD2-CG 4.34Å; L126-L150 HydrophobicContact CG-CD2 4.44Å; L126-A179 HydrophobicContact CD1-CB 3.52Å; L126-L180 HydrophobicContact CD2-CD2 3.92Å; L126-F183 HydrophobicContact CB-CD2 4.47Å; L126-F183 HydrophobicContact CD2-CB 3.86Å; L126-F183 HydrophobicContact CD2-CD1 4.26Å; L126-F183 HydrophobicContact CD2-CD2 3.75Å; L126-F183 HydrophobicContact CD2-CE2 4.35Å; L126-F183 HydrophobicContact CD2-CG 3.69Å; L126-F183 WeakPolarHBondContact O-CD2 3.5Å
127Q94.6Very high93.3Very high111 Ų11141 Ų4152%0.51920%0.198SC..Hα-helixtrans-67.1-43.8-179.3-177.8-79.2-25.600112.7L125 L129 Q130 T131L125-Q127 PolarHBondContact O-N 3.03Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 2.93Å; Q127-Q130 PolarHBondContact O-N 3.07Å; Q127-T131 PolarHBondContact NE2-OG1 3.34Å; Q127-T131 VanDerWaalsContact NE2-OG1 3.11Å; Q127-T131 PolarHBondContact O-N 2.69Å; Q127-T131 PolarHBondContact O-OG1 3.45Å
128P95.4Very high92.7Very high4 Ų438.1 Ų38.13%0.02619%0.186CC..Hα-helixtrans-55.3-47.8169.6-28.233.1000112.5F90 V94 L106 L124 L125 Q130 T131 V132F90-P128 HydrophobicContact CD1-CG 4.43Å; F90-P128 HydrophobicContact CE1-CB 4.1Å; F90-P128 HydrophobicContact CE1-CG 3.28Å; F90-P128 HydrophobicContact CZ-CB 3.76Å; F90-P128 HydrophobicContact CZ-CG 3.4Å; V94-P128 HydrophobicContact CG2-CB 3.96Å; L106-P128 HydrophobicContact CD1-CB 4.34Å; L124-P128 WeakPolarHBondContact O-CD 3.47Å; L125-P128 WeakPolarHBondContact O-CD 3.2Å; P128-Q130 VanDerWaalsContact C-N 3.31Å; P128-Q130 PolarHBondContact O-N 3.47Å; P128-T131 WeakPolarHBondContact O-CB 3.32Å; P128-T131 PolarHBondContact O-N 3.49Å; P128-T131 VanDerWaalsContact O-N 3.11Å; P128-V132 WeakPolarHBondContact O-CG2 3.25Å; P128-V132 PolarHBondContact O-N 2.91Å
129L96Very high92.2Very high0 Ų040.6 Ų40.60%020%0.197CC..Hα-helixtrans-58.3-44.2180-167.570.2000111.3L103 L106 L107 I110 L125 L126 Q127 T131 V132 I133 A146 L150 F183L103-L129 HydrophobicContact CD1-CD1 3.55Å; L106-L129 HydrophobicContact CB-CD1 3.95Å; L106-L129 HydrophobicContact CD1-CD1 4.2Å; L107-L129 HydrophobicContact CD2-CD1 4.03Å; L107-L129 HydrophobicContact CD2-CD2 4.25Å; L107-L129 HydrophobicContact CG-CD1 4.34Å; I110-L129 HydrophobicContact CD1-CD2 3.98Å; L125-L129 WeakPolarHBondContact O-CB 3.22Å; L125-L129 PolarHBondContact O-N 2.82Å; L126-L129 WeakPolarHBondContact O-CB 3.34Å; L126-L129 PolarHBondContact O-N 3.36Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 2.93Å; L129-T131 PolarHBondContact O-N 3.45Å; L129-V132 PolarHBondContact O-N 3.03Å; L129-I133 HydrophobicContact CG-CD1 4.05Å; L129-I133 WeakPolarHBondContact O-CB 3.29Å; L129-I133 VanDerWaalsContact O-CG1 3.25Å; L129-I133 WeakPolarHBondContact O-CG1 3.43Å; L129-I133 PolarHBondContact O-N 3.2Å; L129-A146 HydrophobicContact CD2-CB 3.89Å; L129-A146 HydrophobicContact CG-CB 4.38Å; L129-L150 HydrophobicContact CD2-CD1 3.9Å; L129-L150 HydrophobicContact CD2-CG 4.37Å; L129-F183 HydrophobicContact CB-CE2 4.21Å; L129-F183 HydrophobicContact CD2-CE2 4.12Å; L129-F183 HydrophobicContact CD2-CZ 4.02Å; L129-F183 HydrophobicContact CG-CE2 4.27Å; L129-F183 HydrophobicContact CG-CZ 4.39Å
130Q94.8Very high92Very high35 Ų3540.2 Ų40.216%0.16420%0.195CC..Hα-helixtrans-61.2-44.5176.2-167.4177.960.800111.5L126 Q127 P128 V132 I133 Q134 F183 F187L126-Q130 PolarHBondContact O-N 2.98Å; Q127-Q130 PolarHBondContact O-N 3.07Å; P128-Q130 VanDerWaalsContact C-N 3.31Å; P128-Q130 PolarHBondContact O-N 3.47Å; Q130-V132 VanDerWaalsContact C-N 3.33Å; Q130-V132 PolarHBondContact O-N 3.24Å; Q130-I133 PolarHBondContact O-N 2.91Å; Q130-Q134 VanDerWaalsContact O-CG 3.3Å; Q130-Q134 WeakPolarHBondContact O-CG 3.48Å; Q130-Q134 PolarHBondContact O-N 2.9Å; Q130-F183 HydrophobicContact CB-CD2 3.86Å; Q130-F183 HydrophobicContact CB-CE2 3.78Å; Q130-F183 HydrophobicContact CG-CD2 4.37Å; Q130-F183 HydrophobicContact CG-CE2 4.42Å; Q130-F183 PolarHBondContact NE2-O 3.17Å; Q130-F187 HydrophobicContact CG-CE2 4.41Å; Q130-F187 HydrophobicContact CG-CZ 3.89Å
131T93.8Very high92Very high37 Ų3743.8 Ų43.823%0.22721%0.206CC..Hα-helixtrans-62.5-39.5178.6-560000112V94 Q127 P128 L129 K135V94-T131 HydrophobicContact CG1-CG2 4.15Å; Q127-T131 PolarHBondContact NE2-OG1 3.34Å; Q127-T131 VanDerWaalsContact NE2-OG1 3.11Å; Q127-T131 PolarHBondContact O-N 2.69Å; Q127-T131 PolarHBondContact O-OG1 3.45Å; P128-T131 WeakPolarHBondContact O-CB 3.32Å; P128-T131 PolarHBondContact O-N 3.49Å; P128-T131 VanDerWaalsContact O-N 3.11Å; L129-T131 PolarHBondContact O-N 3.45Å; T131-K135 WeakPolarHBondContact O-CG 3.41Å
132V94.5Very high92Very high0 Ų044 Ų440%021%0.208CC..Hα-helixtrans-69-46.3178174.50000111.1V94 P99 L102 L103 L106 P128 L129 Q130 Q134 K135V94-V132 HydrophobicContact CG1-CG2 4.06Å; P99-V132 HydrophobicContact CB-CG1 3.9Å; P99-V132 VanDerWaalsContact O-CG1 3.23Å; P99-V132 WeakPolarHBondContact O-CG1 3.29Å; L102-V132 HydrophobicContact CB-CG1 4.28Å; L102-V132 HydrophobicContact CD2-CB 4.49Å; L102-V132 HydrophobicContact CD2-CG1 4.34Å; L102-V132 HydrophobicContact CD2-CG2 3.31Å; L102-V132 HydrophobicContact CG-CG2 4.01Å; L103-V132 HydrophobicContact CB-CG1 4.08Å; L106-V132 HydrophobicContact CD1-CG2 3.9Å; P128-V132 WeakPolarHBondContact O-CG2 3.25Å; P128-V132 PolarHBondContact O-N 2.91Å; L129-V132 PolarHBondContact O-N 3.03Å; Q130-V132 VanDerWaalsContact C-N 3.33Å; Q130-V132 PolarHBondContact O-N 3.24Å; V132-Q134 VanDerWaalsContact C-N 3.29Å; V132-Q134 PolarHBondContact O-N 2.92Å; V132-K135 WeakPolarHBondContact O-CB 3.45Å; V132-K135 PolarHBondContact O-N 3.1Å
133I94.4Very high92Very high0 Ų044 Ų440%021%0.208CC..Hα-helixtrans-59.9-40.9179.2-71.5169.3000111.1L103 L129 Q130 K135 L136 I143 A146 F183 F187L103-I133 HydrophobicContact CD1-CD1 4.35Å; L103-I133 HydrophobicContact CD1-CG1 3.99Å; L129-I133 HydrophobicContact CG-CD1 4.05Å; L129-I133 WeakPolarHBondContact O-CB 3.29Å; L129-I133 VanDerWaalsContact O-CG1 3.25Å; L129-I133 WeakPolarHBondContact O-CG1 3.43Å; L129-I133 PolarHBondContact O-N 3.2Å; Q130-I133 PolarHBondContact O-N 2.91Å; I133-K135 PolarHBondContact O-N 3.39Å; I133-K135 VanDerWaalsContact O-N 3.16Å; I133-L136 PolarHBondContact O-N 3.47Å; I133-I143 HydrophobicContact CG2-CD1 4.1Å; I133-I143 HydrophobicContact CG2-CG1 3.51Å; I133-A146 HydrophobicContact CD1-CB 3.72Å; I133-F183 HydrophobicContact CD1-CZ 4Å; I133-F187 HydrophobicContact CB-CZ 4.46Å; I133-F187 HydrophobicContact CG2-CE1 3.83Å; I133-F187 HydrophobicContact CG2-CZ 3.99Å
134Q90.3Very high91.9Very high102 Ų10241 Ų4148%0.47719%0.193SC..Hα-helixtrans-62.1-22178-74.5175.41.200113.8Q130 V132Q130-Q134 VanDerWaalsContact O-CG 3.3Å; Q130-Q134 WeakPolarHBondContact O-CG 3.48Å; Q130-Q134 PolarHBondContact O-N 2.9Å; V132-Q134 VanDerWaalsContact C-N 3.29Å; V132-Q134 PolarHBondContact O-N 2.92Å
135K90.4Very high92Very high94 Ų9441.9 Ų41.941%0.40920%0.198SC..THydrogen-bonded Turntrans-84.9-12.5175.7-64.3174.7-175.1179.70113.6V94 K95 P99 T131 V132 I133V94-K135 PolarHBondContact O-NZ 3.16Å; K95-K135 PolarHBondContact O-NZ 2.94Å; P99-K135 HydrophobicContact CB-CB 4.21Å; P99-K135 HydrophobicContact CG-CB 4.37Å; T131-K135 WeakPolarHBondContact O-CG 3.41Å; V132-K135 WeakPolarHBondContact O-CB 3.45Å; V132-K135 PolarHBondContact O-N 3.1Å; I133-K135 PolarHBondContact O-N 3.39Å; I133-K135 VanDerWaalsContact O-N 3.16Å
136L89.3Confident92Very high12 Ų1241.9 Ų41.96%0.06320%0.198CC..  trans-85.8153-177.4-70170.4000111.9P99 K100 L103 I133 K139 S142P99-L136 HydrophobicContact CB-CD2 3.73Å; P99-L136 HydrophobicContact CB-CG 4Å; P99-L136 HydrophobicContact CG-CD2 3.74Å; P99-L136 HydrophobicContact CG-CG 4.41Å; K100-L136 HydrophobicContact CG-CD2 3.79Å; L103-L136 HydrophobicContact CB-CD1 4.44Å; L103-L136 HydrophobicContact CD2-CD1 3.82Å; I133-L136 PolarHBondContact O-N 3.47Å; L136-K139 VanDerWaalsContact O-CG 3.31Å; L136-K139 WeakPolarHBondContact O-CG 3.38Å; L136-S142 WeakPolarHBondContact CD1-OG 3.41Å
137H78Confident92.1Very high143 Ų14341.5 Ų41.566%0.66220%0.196SC*.SBendtrans-87.5-40.1177.449.7-84.8000112.8K139H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.35Å
138N78.3Confident92.1Very high64 Ų6437.8 Ų37.834%0.34218%0.182SC..SBendtrans-88.368.8175.9-176.817.9000109.6Y141 S142 E200N138-Y141 WeakPolarHBondContact ND2-CB 3.23Å; N138-S142 PolarHBondContact O-N 3.14Å; N138-S142 PolarHBondContact O-OG 3.02Å; N138-E200 PolarHBondContact OD1-OE1 3.46Å
139K85.3Confident92.2Very high53 Ų5338.4 Ų38.423%0.2319%0.185CC..Hα-helixtrans-68.4-41-170.1-70.3-170.5-177177.70112.3L136 H137 Y141 S142 I143 E190 E200L136-K139 VanDerWaalsContact O-CG 3.31Å; L136-K139 WeakPolarHBondContact O-CG 3.38Å; H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.35Å; K139-Y141 PolarHBondContact O-N 3.27Å; K139-S142 PolarHBondContact O-N 3.25Å; K139-I143 HydrophobicContact CB-CD1 4.12Å; K139-I143 WeakPolarHBondContact O-CB 3.45Å; K139-I143 WeakPolarHBondContact O-CD1 3.4Å; K139-I143 WeakPolarHBondContact O-CG1 3.38Å; K139-I143 PolarHBondContact O-N 3.5Å; K139-E190 IonicContact NZ-OE1 2.8Å; K139-E190 PolarHBondContact NZ-OE1 3.27Å; K139-E190 IonicContact NZ-OE2 3.6Å; K139-E190 PolarHBondContact NZ-OE2 3.28Å; K139-E200 PolarHBondContact N-OE1 2.83Å
140A91.4Very high92.2Very high2 Ų238.4 Ų38.42%0.01719%0.185CC..Hα-helixtrans-61.7-48.5-172.600000111.7S142 I143 G144 E200 K203 L204A140-S142 PolarHBondContact O-N 3.46Å; A140-I143 PolarHBondContact O-N 3.5Å; A140-G144 PolarHBondContact O-N 3.44Å; A140-E200 HydrophobicContact CB-CG 4.42Å; A140-E200 VanDerWaalsContact CB-OE1 3.25Å; A140-E200 WeakPolarHBondContact CB-OE1 3.34Å; A140-E200 PolarHBondContact N-OE1 3Å; A140-K203 HydrophobicContact CB-CB 3.69Å; A140-L204 HydrophobicContact CB-CB 3.93Å
141Y92.6Very high92.3Very high145 Ų14538 Ų3857%0.56918%0.182SC*.Hα-helixtrans-61.5-45.2177.3174.4-100.4000112.2N138 K139 I143 G144 L145N138-Y141 WeakPolarHBondContact ND2-CB 3.23Å; K139-Y141 PolarHBondContact O-N 3.27Å; Y141-I143 VanDerWaalsContact C-N 3.33Å; Y141-I143 PolarHBondContact O-N 3.31Å; Y141-G144 PolarHBondContact O-N 3.48Å; Y141-L145 WeakPolarHBondContact O-CB 3.27Å; Y141-L145 PolarHBondContact O-N 2.98Å
142S94.9Very high92.4Very high10 Ų1039.8 Ų39.87%0.0719%0.191CC..Hα-helixtrans-64.3-37.3179.1-680000112.7L103 L136 N138 K139 A140 A146L103-S142 WeakPolarHBondContact CD2-OG 3.4Å; L136-S142 WeakPolarHBondContact CD1-OG 3.41Å; N138-S142 PolarHBondContact O-N 3.14Å; N138-S142 PolarHBondContact O-OG 3.02Å; K139-S142 PolarHBondContact O-N 3.25Å; A140-S142 PolarHBondContact O-N 3.46Å; S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.29Å; S142-A146 PolarHBondContact O-N 2.95Å
143I95.8Very high92.4Very high0 Ų040.6 Ų40.60%019%0.194CC..Hα-helixtrans-67.3-46.3174.7-68.6161.5000110.4I133 K139 A140 Y141 L145 A146 L147 F187 L204I133-I143 HydrophobicContact CG2-CD1 4.1Å; I133-I143 HydrophobicContact CG2-CG1 3.51Å; K139-I143 HydrophobicContact CB-CD1 4.12Å; K139-I143 WeakPolarHBondContact O-CB 3.45Å; K139-I143 WeakPolarHBondContact O-CD1 3.4Å; K139-I143 WeakPolarHBondContact O-CG1 3.38Å; K139-I143 PolarHBondContact O-N 3.5Å; A140-I143 PolarHBondContact O-N 3.5Å; Y141-I143 VanDerWaalsContact C-N 3.33Å; Y141-I143 PolarHBondContact O-N 3.31Å; I143-L145 PolarHBondContact O-N 3.46Å; I143-A146 PolarHBondContact O-N 3.13Å; I143-L147 HydrophobicContact CG2-CD1 3.61Å; I143-L147 HydrophobicContact CG2-CG 4.13Å; I143-L147 WeakPolarHBondContact O-CB 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 2.87Å; I143-F187 HydrophobicContact CD1-CB 4.33Å; I143-F187 HydrophobicContact CD1-CD1 3.43Å; I143-F187 VanDerWaalsContact CD1-CD1 3.43Å; I143-F187 HydrophobicContact CD1-CE1 3.8Å; I143-F187 HydrophobicContact CD1-CG 3.89Å; I143-F187 HydrophobicContact CG1-CD1 4.03Å; I143-F187 HydrophobicContact CG1-CE1 4Å; I143-F187 HydrophobicContact CG1-CG 4.31Å; I143-F187 HydrophobicContact CG1-CZ 4.28Å; I143-F187 HydrophobicContact CG2-CD2 4.37Å; I143-F187 HydrophobicContact CG2-CG 4.44Å; I143-L204 HydrophobicContact CB-CD1 4.17Å; I143-L204 HydrophobicContact CD1-CD1 3.54Å; I143-L204 HydrophobicContact CG1-CD1 4.45Å; I143-L204 HydrophobicContact CG2-CD1 3.95Å
144G94.4Very high92.5Very high4 Ų440.7 Ų40.74%0.04120%0.195CC..Hα-helixtrans-57.8-46.9176.500000112.6A140 Y141 A146 S148 E207A140-G144 PolarHBondContact O-N 3.44Å; Y141-G144 PolarHBondContact O-N 3.48Å; G144-A146 PolarHBondContact O-N 3.13Å; G144-S148 WeakPolarHBondContact O-CB 3.47Å; G144-S148 PolarHBondContact O-N 3.14Å; G144-E207 WeakPolarHBondContact CA-OE2 3.48Å
145L95.3Very high92.7Very high53 Ų5337.7 Ų37.728%0.27719%0.185SC..Hα-helixtrans-59.6-48.9175.5-174.265000111.2L104 L107 Y141 I143 S148 T149L104-L145 HydrophobicContact CD2-CD2 4.22Å; L107-L145 HydrophobicContact CD1-CD2 3.63Å; L107-L145 HydrophobicContact CD1-CG 3.7Å; Y141-L145 WeakPolarHBondContact O-CB 3.27Å; Y141-L145 PolarHBondContact O-N 2.98Å; I143-L145 PolarHBondContact O-N 3.46Å; L145-S148 PolarHBondContact O-N 3.32Å; L145-T149 PolarHBondContact O-N 3Å; L145-T149 PolarHBondContact O-OG1 3.46Å
146A97.3Very high92.9Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-61.8-50179.700000113.3L107 L129 I133 S142 I143 G144 S148 T149 L150 F183L107-A146 HydrophobicContact CD2-CB 4.14Å; L129-A146 HydrophobicContact CD2-CB 3.89Å; L129-A146 HydrophobicContact CG-CB 4.38Å; I133-A146 HydrophobicContact CD1-CB 3.72Å; S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.29Å; S142-A146 PolarHBondContact O-N 2.95Å; I143-A146 PolarHBondContact O-N 3.13Å; G144-A146 PolarHBondContact O-N 3.13Å; A146-S148 VanDerWaalsContact C-N 3.28Å; A146-S148 PolarHBondContact O-N 2.92Å; A146-T149 PolarHBondContact O-N 3.33Å; A146-L150 VanDerWaalsContact O-CB 3.27Å; A146-L150 WeakPolarHBondContact O-CB 3.38Å; A146-L150 WeakPolarHBondContact O-CD1 2.95Å; A146-L150 VanDerWaalsContact O-CG 3.23Å; A146-L150 WeakPolarHBondContact O-CG 3.48Å; A146-L150 PolarHBondContact O-N 3.37Å; A146-F183 HydrophobicContact CB-CZ 4.45Å
147L97.1Very high93.2Very high3 Ų338.4 Ų38.42%0.01619%0.193CC..Hα-helixtrans-62.7-37.3178.3-72.2173.9000111.6I143 W151 F183 T184 L208 F211I143-L147 HydrophobicContact CG2-CD1 3.61Å; I143-L147 HydrophobicContact CG2-CG 4.13Å; I143-L147 WeakPolarHBondContact O-CB 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 2.87Å; L147-W151 WeakPolarHBondContact O-CB 3.49Å; L147-W151 PolarHBondContact O-N 3.11Å; L147-F183 HydrophobicContact CD2-CD1 3.96Å; L147-F183 HydrophobicContact CD2-CE1 3.72Å; L147-F183 HydrophobicContact CG-CE1 4.33Å; L147-T184 HydrophobicContact CD2-CG2 4.46Å; L147-L208 HydrophobicContact CD1-CD2 3.93Å; L147-F211 HydrophobicContact CB-CB 4.21Å; L147-F211 HydrophobicContact CB-CD2 3.99Å; L147-F211 HydrophobicContact CB-CG 4.24Å; L147-F211 HydrophobicContact CD1-CB 3.9Å; L147-F211 HydrophobicContact CD1-CD1 4.43Å; L147-F211 HydrophobicContact CD1-CG 4.04Å; L147-F211 HydrophobicContact CD2-CD1 4.34Å; L147-F211 HydrophobicContact CD2-CD2 3.92Å; L147-F211 HydrophobicContact CD2-CE1 4.47Å; L147-F211 HydrophobicContact CD2-CE2 4.06Å; L147-F211 HydrophobicContact CD2-CG 4.06Å; L147-F211 HydrophobicContact CD2-CZ 4.33Å; L147-F211 HydrophobicContact CG-CD2 4.37Å; L147-F211 HydrophobicContact CG-CG 4.35Å
148S95.1Very high94Very high33 Ų3334.5 Ų34.523%0.23118%0.18CC..Hα-helixtrans-64.8-49.3176.5-171.10000111.8G144 L145 A146 W151 N152 K214G144-S148 WeakPolarHBondContact O-CB 3.47Å; G144-S148 PolarHBondContact O-N 3.14Å; L145-S148 PolarHBondContact O-N 3.32Å; A146-S148 VanDerWaalsContact C-N 3.28Å; A146-S148 PolarHBondContact O-N 2.92Å; S148-W151 PolarHBondContact O-N 3.44Å; S148-N152 WeakPolarHBondContact O-CB 3.18Å; S148-N152 PolarHBondContact O-N 3.39Å; S148-N152 PolarHBondContact O-ND2 2.9Å; S148-N152 PolarHBondContact O-OD1 3.44Å; S148-K214 PolarHBondContact OG-NZ 3.18Å
149T96.7Very high94.8Very high16 Ų1631.9 Ų31.910%0.09817%0.166CC..Hα-helixtrans-64.1-44.9178.5-58.20000111.8L107 I110 E111 L145 A146 W151 N152 Q153L107-T149 HydrophobicContact CB-CG2 4.44Å; L107-T149 HydrophobicContact CD2-CG2 4.25Å; I110-T149 HydrophobicContact CG2-CG2 4.13Å; E111-T149 HydrophobicContact CB-CG2 4.45Å; L145-T149 PolarHBondContact O-N 3Å; L145-T149 PolarHBondContact O-OG1 3.46Å; A146-T149 PolarHBondContact O-N 3.33Å; T149-W151 PolarHBondContact O-N 3.09Å; T149-N152 PolarHBondContact O-N 2.91Å; T149-Q153 PolarHBondContact O-N 3.22Å; T149-Q153 VanDerWaalsContact O-N 3.1Å
150L97.5Very high95.1Very high0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-58.1-47.7176.2-77.9166.7000111.6I110 I122 L126 L129 A146 Q153 L154 L180 F183I110-L150 HydrophobicContact CD1-CD2 3.89Å; I110-L150 HydrophobicContact CD1-CG 4.48Å; I110-L150 HydrophobicContact CG2-CD2 4.13Å; I122-L150 HydrophobicContact CG1-CD2 4.26Å; I122-L150 HydrophobicContact CG2-CD2 4.09Å; L126-L150 HydrophobicContact CD2-CD1 3.62Å; L126-L150 HydrophobicContact CD2-CD2 3.72Å; L126-L150 HydrophobicContact CD2-CG 4.34Å; L126-L150 HydrophobicContact CG-CD2 4.44Å; L129-L150 HydrophobicContact CD2-CD1 3.9Å; L129-L150 HydrophobicContact CD2-CG 4.37Å; A146-L150 VanDerWaalsContact O-CB 3.27Å; A146-L150 WeakPolarHBondContact O-CB 3.38Å; A146-L150 WeakPolarHBondContact O-CD1 2.95Å; A146-L150 VanDerWaalsContact O-CG 3.23Å; A146-L150 WeakPolarHBondContact O-CG 3.48Å; A146-L150 PolarHBondContact O-N 3.37Å; L150-Q153 PolarHBondContact O-N 3.46Å; L150-L154 VanDerWaalsContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 3.32Å; L150-L180 HydrophobicContact CB-CD2 3.95Å; L150-L180 HydrophobicContact CD1-CD2 3.83Å; L150-L180 HydrophobicContact CD2-CD2 4.28Å; L150-L180 HydrophobicContact CG-CD2 4.25Å; L150-F183 HydrophobicContact CD1-CD1 4.18Å; L150-F183 HydrophobicContact CD1-CE1 3.85Å; L150-F183 HydrophobicContact CD1-CZ 4.15Å
151W96.1Very high94.7Very high27 Ų2735.9 Ų35.910%0.10218%0.182CC..Hα-helixtrans-66.9-41.2178.7179.887.4000112L147 S148 T149 Q153 L154 S155 K214 C218L147-W151 WeakPolarHBondContact O-CB 3.49Å; L147-W151 PolarHBondContact O-N 3.11Å; S148-W151 PolarHBondContact O-N 3.44Å; T149-W151 PolarHBondContact O-N 3.09Å; W151-Q153 VanDerWaalsContact C-N 3.28Å; W151-Q153 PolarHBondContact O-N 3.23Å; W151-L154 PolarHBondContact O-N 3.49Å; W151-S155 VanDerWaalsContact O-CB 3.31Å; W151-S155 WeakPolarHBondContact O-CB 3.41Å; W151-S155 PolarHBondContact O-N 2.8Å; W151-K214 HydrophobicContact CD2-CB 3.69Å; W151-K214 HydrophobicContact CD2-CD 3.9Å; W151-K214 HydrophobicContact CD2-CG 4.02Å; W151-K214 HydrophobicContact CE3-CB 4.3Å; W151-K214 HydrophobicContact CE3-CD 3.77Å; W151-K214 HydrophobicContact CE3-CG 4.12Å; W151-K214 HydrophobicContact CG-CB 3.89Å; W151-K214 HydrophobicContact CG-CD 4.26Å; W151-K214 HydrophobicContact CH2-CG 4.33Å; W151-K214 HydrophobicContact CZ2-CB 3.94Å; W151-K214 HydrophobicContact CZ2-CG 4.23Å; W151-K214 WeakPolarHBondContact CZ2-O 3.31Å; W151-K214 HydrophobicContact CZ3-CD 4.24Å; W151-K214 HydrophobicContact CZ3-CG 4.29Å; W151-K214 PolarHBondContact NE1-O 3.4Å; W151-C218 HydrophobicContact CZ2-CB 3.77Å; W151-C218 PolarHBondContact NE1-O 3.04Å
152N95Very high94.3Very high75 Ų7530.8 Ų30.840%0.40117%0.168SC..Hα-helixtrans-55.5-47177.8-74.7-12000110.5S148 T149 S155S148-N152 WeakPolarHBondContact O-CB 3.18Å; S148-N152 PolarHBondContact O-N 3.39Å; S148-N152 PolarHBondContact O-ND2 2.9Å; S148-N152 PolarHBondContact O-OD1 3.44Å; T149-N152 PolarHBondContact O-N 2.91Å; N152-S155 PolarHBondContact O-N 3.35Å; N152-S155 PolarHBondContact O-OG 2.98Å
153Q96Very high93.8Very high16 Ų1635 Ų358%0.07519%0.185CC..Hα-helixtrans-69.1-42.9177.7-74.6-68.8-27.200113I110 E111 P113 I118 I122 T149 L150 W151 S155 L156I110-Q153 HydrophobicContact CG2-CB 4.41Å; I110-Q153 HydrophobicContact CG2-CG 4.17Å; I110-Q153 VanDerWaalsContact O-CG 3.31Å; I110-Q153 WeakPolarHBondContact O-CG 3.29Å; E111-Q153 PolarHBondContact O-NE2 3.02Å; P113-Q153 PolarHBondContact O-OE1 2.92Å; I118-Q153 HydrophobicContact CG2-CB 4.13Å; I122-Q153 HydrophobicContact CD1-CB 4.31Å; T149-Q153 PolarHBondContact O-N 3.22Å; T149-Q153 VanDerWaalsContact O-N 3.1Å; L150-Q153 PolarHBondContact O-N 3.46Å; W151-Q153 VanDerWaalsContact C-N 3.28Å; W151-Q153 PolarHBondContact O-N 3.23Å; Q153-S155 PolarHBondContact O-N 3.16Å; Q153-L156 WeakPolarHBondContact O-CB 3.22Å; Q153-L156 PolarHBondContact O-N 3.24Å
154L95.4Very high93.3Very high3 Ų340.6 Ų40.62%0.01621%0.211CC..Hα-helixtrans-58.6-38.5175.4-166.683000112I122 L150 W151 L156 L157 L173 C176 L180I122-L154 HydrophobicContact CD1-CD1 4.4Å; L150-L154 VanDerWaalsContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 3.32Å; W151-L154 PolarHBondContact O-N 3.49Å; L154-L156 PolarHBondContact O-N 3.45Å; L154-L157 HydrophobicContact CD1-CD1 4.28Å; L154-L157 WeakPolarHBondContact O-CB 3.36Å; L154-L157 PolarHBondContact O-N 2.71Å; L154-L157 VanDerWaalsContact O-N 3.09Å; L154-L173 HydrophobicContact CD1-CD1 3.73Å; L154-L173 HydrophobicContact CD2-CD1 4.17Å; L154-L173 HydrophobicContact CG-CD1 3.66Å; L154-C176 HydrophobicContact CD1-CB 3.3Å; L154-L180 HydrophobicContact CB-CD1 4.46Å; L154-L180 HydrophobicContact CD1-CD1 3.96Å; L154-L180 HydrophobicContact CD2-CD1 3.47Å; L154-L180 VanDerWaalsContact CD2-CD1 3.47Å; L154-L180 HydrophobicContact CG-CD1 4.17Å
155S94.6Very high93.1Very high39 Ų3944.9 Ų44.927%0.27323%0.23SC..THydrogen-bonded Turntrans-67.3-16.7-176.678.20000114W151 N152 Q153 L157W151-S155 VanDerWaalsContact O-CB 3.31Å; W151-S155 WeakPolarHBondContact O-CB 3.41Å; W151-S155 PolarHBondContact O-N 2.8Å; N152-S155 PolarHBondContact O-N 3.35Å; N152-S155 PolarHBondContact O-OG 2.98Å; Q153-S155 PolarHBondContact O-N 3.16Å; S155-L157 VanDerWaalsContact C-N 3.32Å
156L95.8Very high92.7Very high116 Ų11643 Ų4361%0.60722%0.22SC*.THydrogen-bonded Turntrans-79.5-16.7175.4-59.1175.6000112.6I118 Q153 L154I118-L156 HydrophobicContact CD1-CB 4.19Å; I118-L156 HydrophobicContact CD1-CD1 4.44Å; Q153-L156 WeakPolarHBondContact O-CB 3.22Å; Q153-L156 PolarHBondContact O-N 3.24Å; L154-L156 PolarHBondContact O-N 3.45Å
157L95.3Very high92.2Very high5 Ų550.8 Ų50.83%0.02626%0.256CS..SBendtrans-75.7135.7179.7-61.8179.6000110.6G115 I118 L154 S155 V159 Y171 L173G115-L157 WeakPolarHBondContact O-CD2 3.48Å; I118-L157 HydrophobicContact CB-CD2 3.97Å; I118-L157 HydrophobicContact CD1-CD2 3.96Å; I118-L157 HydrophobicContact CG1-CD2 4.5Å; I118-L157 HydrophobicContact CG2-CD1 4.25Å; I118-L157 HydrophobicContact CG2-CD2 4.21Å; I118-L157 HydrophobicContact CG2-CG 4.27Å; L154-L157 HydrophobicContact CD1-CD1 4.28Å; L154-L157 WeakPolarHBondContact O-CB 3.36Å; L154-L157 PolarHBondContact O-N 2.71Å; L154-L157 VanDerWaalsContact O-N 3.09Å; S155-L157 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 2.82Å; L157-Y171 HydrophobicContact CD2-CD1 4.26Å; L157-L173 HydrophobicContact CB-CB 4.25Å; L157-L173 HydrophobicContact CB-CD1 4.21Å; L157-L173 HydrophobicContact CD1-CB 4.18Å; L157-L173 HydrophobicContact CD1-CD1 4.22Å
158P94.4Very high91.8Very high60 Ų6056.9 Ų56.939%0.3929%0.287SS..PPolyproline II helixtrans-66.3136.6176.928.5-33.9000110.4P160 Y171P158-P160 WeakPolarHBondContact O-CD 3.05Å; P158-Y171 HydrophobicContact CG-CD1 3.79Å; P158-Y171 HydrophobicContact CG-CD2 3.51Å; P158-Y171 HydrophobicContact CG-CE1 3.89Å; P158-Y171 HydrophobicContact CG-CE2 3.63Å; P158-Y171 HydrophobicContact CG-CG 3.59Å
159V94.9Very high91.7Very high9 Ų956.2 Ų56.26%0.05528%0.28CS..PPolyproline II helixtrans-79.9121.1176-1740000109.2L157 Y161 L173 P219 T222 A223 F237L157-V159 PolarHBondContact O-N 2.82Å; V159-Y161 WeakPolarHBondContact O-CD2 3.45Å; V159-Y161 WeakPolarHBondContact O-CE2 3.47Å; V159-L173 HydrophobicContact CB-CD2 4.24Å; V159-L173 HydrophobicContact CG1-CD2 4.41Å; V159-L173 HydrophobicContact CG2-CD2 3.88Å; V159-P219 HydrophobicContact CG2-CB 3.71Å; V159-T222 VanDerWaalsContact CG2-OG1 3.27Å; V159-T222 WeakPolarHBondContact CG2-OG1 3.37Å; V159-A223 HydrophobicContact CG1-CB 3.96Å; V159-F237 HydrophobicContact CG1-CE2 4.2Å; V159-F237 HydrophobicContact CG1-CZ 3.95Å
160P91.4Very high91.4Very high13 Ų1359.3 Ų59.38%0.08430%0.296CS..PPolyproline II helixtrans-67.1141.1177.427.4-33.7000111.2P158 Q165 I166 F237P158-P160 WeakPolarHBondContact O-CD 3.05Å; P160-Q165 HydrophobicContact CB-CB 3.63Å; P160-I166 HydrophobicContact CB-CG1 3.96Å; P160-I166 HydrophobicContact CG-CG1 3.9Å; P160-F237 HydrophobicContact CG-CE2 3.93Å; P160-F237 HydrophobicContact CG-CZ 3.87Å
161Y82.4Confident91.2Very high126 Ų12663.6 Ų63.649%0.49431%0.313SS..  trans-110.1-30.2-172.4-58.5-73.5000113.6V159 Q224V159-Y161 WeakPolarHBondContact O-CD2 3.45Å; V159-Y161 WeakPolarHBondContact O-CE2 3.47Å; Y161-Q224 HydrophobicContact CD1-CG 4.33Å
162S85.1Confident91.2Very high39 Ų3962.5 Ų62.527%0.27331%0.311SS..SBendtrans-100.7161-179.690.90000112.6E164 Q165 I166S162-E164 VanDerWaalsContact CB-OE2 3.26Å; S162-E164 WeakPolarHBondContact CB-OE2 3.33Å; S162-E164 PolarHBondContact O-N 3.05Å; S162-E164 PolarHBondContact OG-N 3.32Å; S162-E164 PolarHBondContact OG-OE2 3.06Å; S162-Q165 PolarHBondContact O-N 2.8Å; S162-Q165 WeakPolarHBondContact OG-CG 3.37Å; S162-Q165 PolarHBondContact OG-N 2.79Å; S162-Q165 VanDerWaalsContact OG-N 3.14Å; S162-I166 VanDerWaalsContact O-CG1 3.31Å; S162-I166 WeakPolarHBondContact O-CG1 3.38Å; S162-I166 PolarHBondContact O-N 3.22Å
163K84.2Confident91.3Very high99 Ų9959 Ų5943%0.4329%0.292SS..Hα-helixtrans-57.4-41.2176.2-50.8-152.9173.61800111.1I166 Q167 L226K163-I166 PolarHBondContact O-N 3.42Å; K163-Q167 VanDerWaalsContact O-CG 3.27Å; K163-Q167 WeakPolarHBondContact O-CG 3.29Å; K163-Q167 PolarHBondContact O-N 3.29Å; K163-L226 HydrophobicContact CB-CD2 4.08Å; K163-L226 HydrophobicContact CD-CD2 3.66Å; K163-L226 HydrophobicContact CG-CD2 3.4Å; K163-L226 VanDerWaalsContact CG-CD2 3.4Å
164E86.3Confident91.2Very high117 Ų11758.7 Ų58.755%0.54729%0.291SS..Hα-helixtrans-66.5-42.8179.1-54.975.8-161.600111.4S162 I166 Q167 M168S162-E164 VanDerWaalsContact CB-OE2 3.26Å; S162-E164 WeakPolarHBondContact CB-OE2 3.33Å; S162-E164 PolarHBondContact O-N 3.05Å; S162-E164 PolarHBondContact OG-N 3.32Å; S162-E164 PolarHBondContact OG-OE2 3.06Å; E164-I166 VanDerWaalsContact C-N 3.35Å; E164-I166 PolarHBondContact O-N 3.04Å; E164-Q167 PolarHBondContact O-N 3.25Å; E164-M168 WeakPolarHBondContact O-CB 3.39Å; E164-M168 WeakPolarHBondContact O-CG 3.45Å; E164-M168 PolarHBondContact O-N 3.17Å
165Q88.9Confident91.2Very high93 Ų9364.1 Ų64.144%0.43532%0.317SS..Hα-helixtrans-64.5-39.9177.4-71178.1-16.100112P160 S162 Q167 D169P160-Q165 HydrophobicContact CB-CB 3.63Å; S162-Q165 PolarHBondContact O-N 2.8Å; S162-Q165 WeakPolarHBondContact OG-CG 3.37Å; S162-Q165 PolarHBondContact OG-N 2.79Å; S162-Q165 VanDerWaalsContact OG-N 3.14Å; Q165-Q167 VanDerWaalsContact C-N 3.33Å; Q165-D169 PolarHBondContact O-N 3.33Å
166I87.4Confident91.3Very high14 Ų1462.3 Ų62.37%0.07230%0.304CS..Hα-helixtrans-64.5-39.7175.5-67.1167000110.5P160 S162 K163 E164 L226 P236 F237P160-I166 HydrophobicContact CB-CG1 3.96Å; P160-I166 HydrophobicContact CG-CG1 3.9Å; S162-I166 VanDerWaalsContact O-CG1 3.31Å; S162-I166 WeakPolarHBondContact O-CG1 3.38Å; S162-I166 PolarHBondContact O-N 3.22Å; K163-I166 PolarHBondContact O-N 3.42Å; E164-I166 VanDerWaalsContact C-N 3.35Å; E164-I166 PolarHBondContact O-N 3.04Å; I166-L226 HydrophobicContact CD1-CD2 4.31Å; I166-P236 HydrophobicContact CG2-CG 3.94Å; I166-F237 HydrophobicContact CG1-CE2 4.32Å
167Q86.6Confident91.4Very high163 Ų16356.8 Ų56.876%0.76228%0.275SS*.Hα-helixtrans-70.9-40.3178.2-74.3174.610.500113.1K163 E164 Q165K163-Q167 VanDerWaalsContact O-CG 3.27Å; K163-Q167 WeakPolarHBondContact O-CG 3.29Å; K163-Q167 PolarHBondContact O-N 3.29Å; E164-Q167 PolarHBondContact O-N 3.25Å; Q165-Q167 VanDerWaalsContact C-N 3.33Å
168M89.6Confident91.4Very high132 Ų13261.9 Ų61.965%0.6530%0.297SS*.Hα-helixtrans-70.8-34.5177.6-72.518059.600112E164 D170E164-M168 WeakPolarHBondContact O-CB 3.39Å; E164-M168 WeakPolarHBondContact O-CG 3.45Å; E164-M168 PolarHBondContact O-N 3.17Å; M168-D170 WeakPolarHBondContact CE-OD1 3.46Å; M168-D170 PolarHBondContact O-N 2.86Å
169D91.4Very high91.5Very high18 Ų1859.8 Ų59.810%0.09629%0.285CS..  trans42.951.4-177.4-165.819.1000112.5Q165 Y171 G172 L173 C174 Q175Q165-D169 PolarHBondContact O-N 3.33Å; D169-Y171 PolarHBondContact O-N 2.93Å; D169-G172 VanDerWaalsContact CG-CA 3.43Å; D169-G172 WeakPolarHBondContact O-CA 3.49Å; D169-G172 PolarHBondContact O-N 3.28Å; D169-G172 VanDerWaalsContact OD1-C 3.24Å; D169-G172 VanDerWaalsContact OD1-CA 3.29Å; D169-G172 WeakPolarHBondContact OD1-CA 3.4Å; D169-G172 PolarHBondContact OD1-N 3.47Å; D169-G172 VanDerWaalsContact OD2-C 3.28Å; D169-G172 VanDerWaalsContact OD2-CA 3.32Å; D169-G172 WeakPolarHBondContact OD2-CA 3.13Å; D169-L173 PolarHBondContact OD1-N 3.45Å; D169-C174 HydrophobicContact CB-CB 4.44Å; D169-C174 PolarHBondContact OD1-N 3.46Å; D169-C174 VanDerWaalsContact OD1-N 3.15Å; D169-C174 WeakPolarHBondContact OD2-CB 3.29Å; D169-C174 PolarHBondContact OD2-N 3.17Å; D169-C174 VanDerWaalsContact OD2-N 3.12Å; D169-Q175 WeakPolarHBondContact OD2-CG 3.49Å; D169-Q175 PolarHBondContact OD2-N 3.43Å
170D90.8Very high91.6Very high82 Ų8259.4 Ų59.444%0.43928%0.282SS..THydrogen-bonded Turntrans-53.7-29-170.7-111.236.2000115K116 M168K116-D170 WeakPolarHBondContact CD-O 3.25Å; K116-D170 WeakPolarHBondContact CE-O 3.4Å; K116-D170 IonicContact NZ-OD2 2.88Å; K116-D170 PolarHBondContact NZ-OD2 3.26Å; M168-D170 WeakPolarHBondContact CE-OD1 3.46Å; M168-D170 PolarHBondContact O-N 2.86Å
171Y94.4Very high91.9Very high89 Ų8958.8 Ų58.835%0.34928%0.278SS..THydrogen-bonded Turntrans-102.2-8.9179.2-75.9-97.5000112.5K116 S119 L157 P158 D169K116-Y171 HydrophobicContact CG-CD1 3.68Å; K116-Y171 HydrophobicContact CG-CE1 3.72Å; K116-Y171 HydrophobicContact CG-CG 4.12Å; S119-Y171 WeakPolarHBondContact CB-O 3.46Å; S119-Y171 PolarHBondContact OG-O 2.96Å; L157-Y171 HydrophobicContact CD2-CD1 4.26Å; P158-Y171 HydrophobicContact CG-CD1 3.79Å; P158-Y171 HydrophobicContact CG-CD2 3.51Å; P158-Y171 HydrophobicContact CG-CE1 3.89Å; P158-Y171 HydrophobicContact CG-CE2 3.63Å; P158-Y171 HydrophobicContact CG-CG 3.59Å; D169-Y171 PolarHBondContact O-N 2.93Å
172G95.4Very high92.6Very high5 Ų558 Ų585%0.05228%0.279CS..  trans76.518.3178.500000114.5D169 C176D169-G172 VanDerWaalsContact CG-CA 3.43Å; D169-G172 WeakPolarHBondContact O-CA 3.49Å; D169-G172 PolarHBondContact O-N 3.28Å; D169-G172 VanDerWaalsContact OD1-C 3.24Å; D169-G172 VanDerWaalsContact OD1-CA 3.29Å; D169-G172 WeakPolarHBondContact OD1-CA 3.4Å; D169-G172 PolarHBondContact OD1-N 3.47Å; D169-G172 VanDerWaalsContact OD2-C 3.28Å; D169-G172 VanDerWaalsContact OD2-CA 3.32Å; D169-G172 WeakPolarHBondContact OD2-CA 3.13Å; G172-C176 WeakPolarHBondContact O-CB 3.31Å; G172-C176 PolarHBondContact O-N 3.38Å; G172-C176 PolarHBondContact O-SG 2.94Å
173L96.3Very high93.2Very high1 Ų156.4 Ų56.41%0.00527%0.267CS..Hα-helixtrans-64.7-44.9-177.217562.2000111L154 L157 V159 D169 Q175 C176 C177 P219 F237L154-L173 HydrophobicContact CD1-CD1 3.73Å; L154-L173 HydrophobicContact CD2-CD1 4.17Å; L154-L173 HydrophobicContact CG-CD1 3.66Å; L157-L173 HydrophobicContact CB-CB 4.25Å; L157-L173 HydrophobicContact CB-CD1 4.21Å; L157-L173 HydrophobicContact CD1-CB 4.18Å; L157-L173 HydrophobicContact CD1-CD1 4.22Å; V159-L173 HydrophobicContact CB-CD2 4.24Å; V159-L173 HydrophobicContact CG1-CD2 4.41Å; V159-L173 HydrophobicContact CG2-CD2 3.88Å; D169-L173 PolarHBondContact OD1-N 3.45Å; L173-Q175 VanDerWaalsContact C-N 3.35Å; L173-Q175 PolarHBondContact O-N 3.26Å; L173-C176 PolarHBondContact O-N 3.02Å; L173-C177 WeakPolarHBondContact O-CB 3.37Å; L173-C177 PolarHBondContact O-N 3.1Å; L173-C177 PolarHBondContact O-SG 2.92Å; L173-C177 VanDerWaalsContact O-SG 3.39Å; L173-P219 HydrophobicContact CD2-CB 4.16Å; L173-F237 HydrophobicContact CD2-CE1 4.24Å; L173-F237 HydrophobicContact CD2-CZ 4.19Å; L173-F237 HydrophobicContact CG-CE1 4.41Å
174C94.6Very high93.8Very high9 Ų951.7 Ų51.76%0.06125%0.247CC..Hα-helixtrans-63.9-42.9-178.3-630000111D169 C177 K178 P236D169-C174 HydrophobicContact CB-CB 4.44Å; D169-C174 PolarHBondContact OD1-N 3.46Å; D169-C174 VanDerWaalsContact OD1-N 3.15Å; D169-C174 WeakPolarHBondContact OD2-CB 3.29Å; D169-C174 PolarHBondContact OD2-N 3.17Å; D169-C174 VanDerWaalsContact OD2-N 3.12Å; C174-C177 PolarHBondContact O-N 3.08Å; C174-K178 PolarHBondContact O-N 2.98Å; C174-K178 VanDerWaalsContact O-N 3.17Å; C174-P236 HydrophobicContact CB-CB 3.81Å; C174-P236 HydrophobicContact CB-CG 4.07Å
175Q95.3Very high94.2Very high118 Ų11850.4 Ų50.455%0.55124%0.239SC*.Hα-helixtrans-62.6-44.1174.2-69.2179.310.400112.1L123 D169 L173 K178 A179L123-Q175 HydrophobicContact CD1-CB 4.35Å; D169-Q175 WeakPolarHBondContact OD2-CG 3.49Å; D169-Q175 PolarHBondContact OD2-N 3.43Å; L173-Q175 VanDerWaalsContact C-N 3.35Å; L173-Q175 PolarHBondContact O-N 3.26Å; Q175-K178 PolarHBondContact O-N 3.3Å; Q175-A179 WeakPolarHBondContact O-CB 3.32Å; Q175-A179 PolarHBondContact O-N 3.4Å
176C97.3Very high94.5Very high0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-64.9-39.9177.9-69.80000112.4S119 I122 L154 G172 L173 K178 A179 L180S119-C176 WeakPolarHBondContact CA-SG 3.43Å; S119-C176 WeakPolarHBondContact CB-SG 3.41Å; I122-C176 HydrophobicContact CG2-CB 4.43Å; L154-C176 HydrophobicContact CD1-CB 3.3Å; G172-C176 WeakPolarHBondContact O-CB 3.31Å; G172-C176 PolarHBondContact O-N 3.38Å; G172-C176 PolarHBondContact O-SG 2.94Å; L173-C176 PolarHBondContact O-N 3.02Å; C176-K178 VanDerWaalsContact C-N 3.33Å; C176-K178 PolarHBondContact O-N 3.17Å; C176-A179 PolarHBondContact O-N 3.07Å; C176-L180 WeakPolarHBondContact O-CB 3.24Å; C176-L180 VanDerWaalsContact O-CG 3.3Å; C176-L180 WeakPolarHBondContact O-CG 3.22Å; C176-L180 PolarHBondContact O-N 3.04Å
177C96.8Very high94.8Very high1 Ų147.4 Ų47.41%0.00723%0.229CC..Hα-helixtrans-56.7-47.1173.2-78.40000111.4L173 C174 L180 I181 F240L173-C177 WeakPolarHBondContact O-CB 3.37Å; L173-C177 PolarHBondContact O-N 3.1Å; L173-C177 PolarHBondContact O-SG 2.92Å; L173-C177 VanDerWaalsContact O-SG 3.39Å; C174-C177 PolarHBondContact O-N 3.08Å; C177-L180 PolarHBondContact O-N 3.12Å; C177-I181 WeakPolarHBondContact O-CG1 3.3Å; C177-I181 PolarHBondContact O-N 3.32Å; C177-I181 VanDerWaalsContact O-N 3.15Å; C177-F240 HydrophobicContact CB-CB 4.35Å; C177-F240 HydrophobicContact CB-CD2 3.56Å; C177-F240 HydrophobicContact CB-CE2 3.95Å; C177-F240 HydrophobicContact CB-CG 3.91Å; C177-F240 WeakPolarHBondContact O-CD2 3.49Å; C177-F240 WeakPolarHBondContact O-CE2 3.45Å
178K96.2Very high95.2Very high112 Ų11239.8 Ų39.849%0.48719%0.193SC..Hα-helixtrans-61.9-47.3176.7-177.1180176.1-174.10111.8C174 Q175 C176 L180 I181 E182 Y239C174-K178 PolarHBondContact O-N 2.98Å; C174-K178 VanDerWaalsContact O-N 3.17Å; Q175-K178 PolarHBondContact O-N 3.3Å; C176-K178 VanDerWaalsContact C-N 3.33Å; C176-K178 PolarHBondContact O-N 3.17Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 3.39Å; K178-I181 WeakPolarHBondContact O-CB 3.45Å; K178-I181 PolarHBondContact O-N 2.82Å; K178-I181 VanDerWaalsContact O-N 3.17Å; K178-E182 WeakPolarHBondContact CE-OE1 3.33Å; K178-E182 PolarHBondContact O-N 3.21Å; K178-E182 VanDerWaalsContact O-N 3.14Å; K178-Y239 HydrophobicContact CG-CE1 4.09Å
179A96.9Very high95.3Very high16 Ų1637.9 Ų37.913%0.13218%0.183CC..Hα-helixtrans-63.5-34.4179.500000112.3L123 L126 Q175 C176 E182 F183L123-A179 HydrophobicContact CD2-CB 3.57Å; L126-A179 HydrophobicContact CD1-CB 3.52Å; Q175-A179 WeakPolarHBondContact O-CB 3.32Å; Q175-A179 PolarHBondContact O-N 3.4Å; C176-A179 PolarHBondContact O-N 3.07Å; A179-E182 PolarHBondContact O-N 3.34Å; A179-F183 WeakPolarHBondContact O-CB 3.26Å; A179-F183 PolarHBondContact O-N 3.25Å
180L97.3Very high95.3Very high0 Ų039.9 Ų39.90%019%0.191CC..Hα-helixtrans-66.8-35.6174.4-78.4172.9000112.8L126 L150 L154 C176 C177 K178 F183 T184L126-L180 HydrophobicContact CD2-CD2 3.92Å; L150-L180 HydrophobicContact CB-CD2 3.95Å; L150-L180 HydrophobicContact CD1-CD2 3.83Å; L150-L180 HydrophobicContact CD2-CD2 4.28Å; L150-L180 HydrophobicContact CG-CD2 4.25Å; L154-L180 HydrophobicContact CB-CD1 4.46Å; L154-L180 HydrophobicContact CD1-CD1 3.96Å; L154-L180 HydrophobicContact CD2-CD1 3.47Å; L154-L180 VanDerWaalsContact CD2-CD1 3.47Å; L154-L180 HydrophobicContact CG-CD1 4.17Å; C176-L180 WeakPolarHBondContact O-CB 3.24Å; C176-L180 VanDerWaalsContact O-CG 3.3Å; C176-L180 WeakPolarHBondContact O-CG 3.22Å; C176-L180 PolarHBondContact O-N 3.04Å; C177-L180 PolarHBondContact O-N 3.12Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 3.39Å; L180-F183 PolarHBondContact O-N 3.27Å; L180-T184 VanDerWaalsContact O-CB 3.29Å; L180-T184 WeakPolarHBondContact O-CB 3.27Å; L180-T184 PolarHBondContact O-N 3.02Å; L180-T184 PolarHBondContact O-OG1 2.82Å
181I97.5Very high95.2Very high0 Ų036.3 Ų36.30%017%0.173CC..Hα-helixtrans-62.5-47.8171.3-64.8-53.7000110C177 K178 F183 T184 K185 Y239 F240 E243 I244 F247C177-I181 WeakPolarHBondContact O-CG1 3.3Å; C177-I181 PolarHBondContact O-N 3.32Å; C177-I181 VanDerWaalsContact O-N 3.15Å; K178-I181 WeakPolarHBondContact O-CB 3.45Å; K178-I181 PolarHBondContact O-N 2.82Å; K178-I181 VanDerWaalsContact O-N 3.17Å; I181-F183 VanDerWaalsContact C-N 3.29Å; I181-F183 PolarHBondContact O-N 2.83Å; I181-T184 PolarHBondContact O-N 3.42Å; I181-K185 VanDerWaalsContact O-CB 3.26Å; I181-K185 WeakPolarHBondContact O-CB 3.17Å; I181-K185 PolarHBondContact O-N 2.91Å; I181-Y239 HydrophobicContact CB-CE1 4.38Å; I181-Y239 HydrophobicContact CG1-CE1 4.33Å; I181-Y239 HydrophobicContact CG2-CE1 4.32Å; I181-F240 HydrophobicContact CD1-CD2 3.6Å; I181-F240 HydrophobicContact CD1-CE2 3.61Å; I181-F240 HydrophobicContact CG1-CD2 3.57Å; I181-F240 HydrophobicContact CG1-CE2 3.9Å; I181-E243 HydrophobicContact CD1-CB 3.72Å; I181-E243 HydrophobicContact CG1-CB 4.03Å; I181-E243 HydrophobicContact CG2-CB 3.77Å; I181-E243 HydrophobicContact CG2-CG 3.82Å; I181-I244 HydrophobicContact CD1-CD1 3.91Å; I181-I244 HydrophobicContact CD1-CG1 4.12Å; I181-F247 HydrophobicContact CD1-CE2 3.85Å; I181-F247 HydrophobicContact CD1-CZ 4.34Å; I181-F247 HydrophobicContact CG2-CZ 4.03Å
182E96.7Very high94.9Very high111 Ų11136.5 Ų36.552%0.51918%0.179SC..Hα-helixtrans-60.9-38.4178.9-68175.9-172.100111.9K178 A179 P186K178-E182 WeakPolarHBondContact CE-OE1 3.33Å; K178-E182 PolarHBondContact O-N 3.21Å; K178-E182 VanDerWaalsContact O-N 3.14Å; A179-E182 PolarHBondContact O-N 3.34Å; E182-P186 VanDerWaalsContact O-CD 3.26Å; E182-P186 WeakPolarHBondContact O-CD 3.4Å
183F97.3Very high94.3Very high5 Ų542.4 Ų42.42%0.02221%0.209CC..Hα-helixtrans-65.8-43.3173.9173.2-95.8000112.9L126 L129 Q130 I133 A146 L147 L150 A179 L180 I181 F187L126-F183 HydrophobicContact CB-CD2 4.47Å; L126-F183 HydrophobicContact CD2-CB 3.86Å; L126-F183 HydrophobicContact CD2-CD1 4.26Å; L126-F183 HydrophobicContact CD2-CD2 3.75Å; L126-F183 HydrophobicContact CD2-CE2 4.35Å; L126-F183 HydrophobicContact CD2-CG 3.69Å; L126-F183 WeakPolarHBondContact O-CD2 3.5Å; L129-F183 HydrophobicContact CB-CE2 4.21Å; L129-F183 HydrophobicContact CD2-CE2 4.12Å; L129-F183 HydrophobicContact CD2-CZ 4.02Å; L129-F183 HydrophobicContact CG-CE2 4.27Å; L129-F183 HydrophobicContact CG-CZ 4.39Å; Q130-F183 HydrophobicContact CB-CD2 3.86Å; Q130-F183 HydrophobicContact CB-CE2 3.78Å; Q130-F183 HydrophobicContact CG-CD2 4.37Å; Q130-F183 HydrophobicContact CG-CE2 4.42Å; Q130-F183 PolarHBondContact NE2-O 3.17Å; I133-F183 HydrophobicContact CD1-CZ 4Å; A146-F183 HydrophobicContact CB-CZ 4.45Å; L147-F183 HydrophobicContact CD2-CD1 3.96Å; L147-F183 HydrophobicContact CD2-CE1 3.72Å; L147-F183 HydrophobicContact CG-CE1 4.33Å; L150-F183 HydrophobicContact CD1-CD1 4.18Å; L150-F183 HydrophobicContact CD1-CE1 3.85Å; L150-F183 HydrophobicContact CD1-CZ 4.15Å; A179-F183 WeakPolarHBondContact O-CB 3.26Å; A179-F183 PolarHBondContact O-N 3.25Å; L180-F183 PolarHBondContact O-N 3.27Å; I181-F183 VanDerWaalsContact C-N 3.29Å; I181-F183 PolarHBondContact O-N 2.83Å; F183-F187 HydrophobicContact CD1-CE2 4.13Å; F183-F187 HydrophobicContact CD2-CE2 4.46Å; F183-F187 HydrophobicContact CE1-CD2 4.45Å; F183-F187 AromaticContact CE1-CE2 3.73Å; F183-F187 HydrophobicContact CE1-CE2 3.73Å; F183-F187 HydrophobicContact CE2-CE2 4.1Å; F183-F187 HydrophobicContact CE2-CZ 4.45Å; F183-F187 HydrophobicContact CG-CE2 4.47Å; F183-F187 AromaticContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CZ 4.25Å; F183-F187 WeakPolarHBondContact O-CD2 3.21Å; F183-F187 WeakPolarHBondContact O-CE2 3.43Å
184T96.4Very high93.4Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-78.9-32.2-172.2-53.30000112.4L147 L180 I181 F187 V188 L208 F211 F247L147-T184 HydrophobicContact CD2-CG2 4.46Å; L180-T184 VanDerWaalsContact O-CB 3.29Å; L180-T184 WeakPolarHBondContact O-CB 3.27Å; L180-T184 PolarHBondContact O-N 3.02Å; L180-T184 PolarHBondContact O-OG1 2.82Å; I181-T184 PolarHBondContact O-N 3.42Å; T184-F187 WeakPolarHBondContact O-CB 3.4Å; T184-F187 PolarHBondContact O-N 3.05Å; T184-V188 HydrophobicContact CG2-CG2 4.09Å; T184-V188 PolarHBondContact O-N 2.92Å; T184-L208 HydrophobicContact CG2-CD2 3.73Å; T184-F211 HydrophobicContact CG2-CD1 4.07Å; T184-F211 HydrophobicContact CG2-CE1 3.95Å; T184-F247 HydrophobicContact CG2-CD2 4.2Å; T184-F247 HydrophobicContact CG2-CE2 3.87Å
185K95.9Very high91.9Very high89 Ų8955.1 Ų55.139%0.38727%0.267SS..Hα-helixtrans-54.6-45.3-172.1-178.2171.7-176.9170.90114.3I181 F187 V188 E189 F247I181-K185 VanDerWaalsContact O-CB 3.26Å; I181-K185 WeakPolarHBondContact O-CB 3.17Å; I181-K185 PolarHBondContact O-N 2.91Å; K185-F187 VanDerWaalsContact C-N 3.26Å; K185-F187 PolarHBondContact O-N 3.32Å; K185-V188 PolarHBondContact O-N 3.27Å; K185-V188 VanDerWaalsContact O-N 3.13Å; K185-E189 WeakPolarHBondContact CE-OE1 3.49Å; K185-E189 HydrophobicContact CG-CG 4.45Å; K185-E189 WeakPolarHBondContact CG-OE1 3.47Å; K185-E189 WeakPolarHBondContact O-CG 3.4Å; K185-E189 PolarHBondContact O-N 3.18Å; K185-F247 HydrophobicContact CB-CE1 4.35Å; K185-F247 HydrophobicContact CB-CZ 4.11Å
186P94.8Very high90.6Very high42 Ų4257 Ų5727%0.27328%0.276SS..Hα-helixtrans-61.5-31.7177.7-28.239.7000114E182 E190E182-P186 VanDerWaalsContact O-CD 3.26Å; E182-P186 WeakPolarHBondContact O-CD 3.4Å; P186-E190 WeakPolarHBondContact O-CB 3.41Å; P186-E190 PolarHBondContact O-N 3.2Å
187F93.8Very high89.2Confident2 Ų263.3 Ų63.31%0.00931%0.31CS..Hα-helixtrans-74.4-32177.6-53.3-58.7000112Q130 I133 I143 F183 T184 K185 V191 L208Q130-F187 HydrophobicContact CG-CE2 4.41Å; Q130-F187 HydrophobicContact CG-CZ 3.89Å; I133-F187 HydrophobicContact CB-CZ 4.46Å; I133-F187 HydrophobicContact CG2-CE1 3.83Å; I133-F187 HydrophobicContact CG2-CZ 3.99Å; I143-F187 HydrophobicContact CD1-CB 4.33Å; I143-F187 HydrophobicContact CD1-CD1 3.43Å; I143-F187 VanDerWaalsContact CD1-CD1 3.43Å; I143-F187 HydrophobicContact CD1-CE1 3.8Å; I143-F187 HydrophobicContact CD1-CG 3.89Å; I143-F187 HydrophobicContact CG1-CD1 4.03Å; I143-F187 HydrophobicContact CG1-CE1 4Å; I143-F187 HydrophobicContact CG1-CG 4.31Å; I143-F187 HydrophobicContact CG1-CZ 4.28Å; I143-F187 HydrophobicContact CG2-CD2 4.37Å; I143-F187 HydrophobicContact CG2-CG 4.44Å; F183-F187 HydrophobicContact CD1-CE2 4.13Å; F183-F187 HydrophobicContact CD2-CE2 4.46Å; F183-F187 HydrophobicContact CE1-CD2 4.45Å; F183-F187 AromaticContact CE1-CE2 3.73Å; F183-F187 HydrophobicContact CE1-CE2 3.73Å; F183-F187 HydrophobicContact CE2-CE2 4.1Å; F183-F187 HydrophobicContact CE2-CZ 4.45Å; F183-F187 HydrophobicContact CG-CE2 4.47Å; F183-F187 AromaticContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CZ 4.25Å; F183-F187 WeakPolarHBondContact O-CD2 3.21Å; F183-F187 WeakPolarHBondContact O-CE2 3.43Å; T184-F187 WeakPolarHBondContact O-CB 3.4Å; T184-F187 PolarHBondContact O-N 3.05Å; K185-F187 VanDerWaalsContact C-N 3.26Å; K185-F187 PolarHBondContact O-N 3.32Å; F187-V191 WeakPolarHBondContact O-CG2 3.44Å; F187-V191 PolarHBondContact O-N 3.42Å; F187-L208 HydrophobicContact CB-CD2 4.3Å
188V93.9Very high88.6Confident4 Ų465.8 Ų65.82%0.02433%0.327CS..Hα-helixtrans-70.3-42.2172.6178.90000110.3T184 K185 E190 V191 I192 L208 F247 A250 I251T184-V188 HydrophobicContact CG2-CG2 4.09Å; T184-V188 PolarHBondContact O-N 2.92Å; K185-V188 PolarHBondContact O-N 3.27Å; K185-V188 VanDerWaalsContact O-N 3.13Å; V188-E190 VanDerWaalsContact C-N 3.32Å; V188-E190 PolarHBondContact O-N 3.47Å; V188-V191 WeakPolarHBondContact O-CB 3.19Å; V188-V191 PolarHBondContact O-N 3.21Å; V188-V191 VanDerWaalsContact O-N 3.12Å; V188-I192 HydrophobicContact CG1-CD1 4.38Å; V188-I192 WeakPolarHBondContact O-CG1 3.4Å; V188-I192 PolarHBondContact O-N 2.93Å; V188-I192 VanDerWaalsContact O-N 3.13Å; V188-L208 HydrophobicContact CG2-CD1 4.11Å; V188-L208 HydrophobicContact CG2-CD2 4.06Å; V188-F247 HydrophobicContact CB-CD1 4.16Å; V188-F247 HydrophobicContact CB-CE1 4.42Å; V188-F247 HydrophobicContact CG1-CB 4.46Å; V188-F247 HydrophobicContact CG1-CD1 3.89Å; V188-F247 HydrophobicContact CG1-CG 4.39Å; V188-F247 HydrophobicContact CG2-CB 4.19Å; V188-F247 HydrophobicContact CG2-CD1 3.83Å; V188-F247 HydrophobicContact CG2-CD2 4.15Å; V188-F247 HydrophobicContact CG2-CE1 4.18Å; V188-F247 HydrophobicContact CG2-CE2 4.48Å; V188-F247 HydrophobicContact CG2-CG 3.81Å; V188-F247 HydrophobicContact CG2-CZ 4.48Å; V188-A250 HydrophobicContact CG1-CB 3.65Å; V188-I251 HydrophobicContact CG1-CG1 4.45Å
189E92.5Very high88.1Confident91 Ų9166.6 Ų66.643%0.42534%0.336SS..Hα-helixtrans-60.5-40.4174.6-70.8171.9-179.300111.5K185 V191 I192 D193K185-E189 WeakPolarHBondContact CE-OE1 3.49Å; K185-E189 HydrophobicContact CG-CG 4.45Å; K185-E189 WeakPolarHBondContact CG-OE1 3.47Å; K185-E189 WeakPolarHBondContact O-CG 3.4Å; K185-E189 PolarHBondContact O-N 3.18Å; E189-V191 VanDerWaalsContact C-N 3.25Å; E189-V191 PolarHBondContact O-N 3.02Å; E189-I192 PolarHBondContact O-N 3.3Å; E189-I192 VanDerWaalsContact O-N 3.09Å; E189-D193 PolarHBondContact O-N 2.97Å
190E90.4Very high87.6Confident60 Ų6068.7 Ų68.728%0.2834%0.343SS..Hα-helixtrans-57.9-35.5173.6-174.7167.9-175.300112.3K139 P186 V188 N194K139-E190 IonicContact NZ-OE1 2.8Å; K139-E190 PolarHBondContact NZ-OE1 3.27Å; K139-E190 IonicContact NZ-OE2 3.6Å; K139-E190 PolarHBondContact NZ-OE2 3.28Å; P186-E190 WeakPolarHBondContact O-CB 3.41Å; P186-E190 PolarHBondContact O-N 3.2Å; V188-E190 VanDerWaalsContact C-N 3.32Å; V188-E190 PolarHBondContact O-N 3.47Å; E190-N194 VanDerWaalsContact O-CB 3.3Å; E190-N194 WeakPolarHBondContact O-CB 3.35Å; E190-N194 VanDerWaalsContact O-CG 3.28Å; E190-N194 PolarHBondContact O-N 3.44Å; E190-N194 PolarHBondContact O-ND2 3.35Å
191V89.2Confident87.1Confident8 Ų869 Ų695%0.04834%0.344CS..Hα-helixtrans-72.2-37.8175.6171.60000112.2F187 V188 E189 L204 K205 L208F187-V191 WeakPolarHBondContact O-CG2 3.44Å; F187-V191 PolarHBondContact O-N 3.42Å; V188-V191 WeakPolarHBondContact O-CB 3.19Å; V188-V191 PolarHBondContact O-N 3.21Å; V188-V191 VanDerWaalsContact O-N 3.12Å; E189-V191 VanDerWaalsContact C-N 3.25Å; E189-V191 PolarHBondContact O-N 3.02Å; V191-L204 HydrophobicContact CG2-CB 4.4Å; V191-L204 HydrophobicContact CG2-CD2 3.58Å; V191-L204 HydrophobicContact CG2-CG 3.72Å; V191-K205 HydrophobicContact CG1-CD 4.15Å; V191-K205 HydrophobicContact CG1-CG 3.55Å; V191-K205 HydrophobicContact CG2-CG 4.35Å; V191-L208 HydrophobicContact CG2-CD1 3.82Å
192I87.6Confident86.7Confident93 Ų9371.8 Ų71.848%0.47736%0.358SS..Hα-helixtrans-66.5-43.8-179.9-63.7168.2000110.6V188 E189 A250V188-I192 HydrophobicContact CG1-CD1 4.38Å; V188-I192 WeakPolarHBondContact O-CG1 3.4Å; V188-I192 PolarHBondContact O-N 2.93Å; V188-I192 VanDerWaalsContact O-N 3.13Å; E189-I192 PolarHBondContact O-N 3.3Å; E189-I192 VanDerWaalsContact O-N 3.09Å; I192-A250 HydrophobicContact CD1-CB 3.74Å; I192-A250 HydrophobicContact CG1-CB 3.99Å
193D84.3Confident86.3Confident129 Ų12971.1 Ų71.169%0.6935%0.353SS*.Hα-helixtrans-75.5-27.9-175.3-70.7-21.7000112.4E189 K195E189-D193 PolarHBondContact O-N 2.97Å; D193-K195 PolarHBondContact O-N 2.9Å; D193-K195 VanDerWaalsContact O-N 3.07Å
194N77.5Confident86.1Confident75 Ų7571.2 Ų71.240%0.40135%0.354SS..  trans-76.893.8178.6-82.4-41.1000112.2E190 E196 N201E190-N194 VanDerWaalsContact O-CB 3.3Å; E190-N194 WeakPolarHBondContact O-CB 3.35Å; E190-N194 VanDerWaalsContact O-CG 3.28Å; E190-N194 PolarHBondContact O-N 3.44Å; E190-N194 PolarHBondContact O-ND2 3.35Å; N194-E196 PolarHBondContact O-N 3.44Å; N194-N201 PolarHBondContact O-ND2 3.02Å
195K62.4Low85.8Confident201 Ų20172.9 Ų72.987%0.87436%0.361SS*.  trans-71.4-13.5173.7-66.2-175.2-179.1177.80114.4D193D193-K195 PolarHBondContact O-N 2.9Å; D193-K195 VanDerWaalsContact O-N 3.07Å
196E68Low85.5Confident157 Ų15770.4 Ų70.473%0.73435%0.352SS*.SBendtrans-83.2125.2178.3-112.2174.5179.200110.8N194 S198 N201N194-E196 PolarHBondContact O-N 3.44Å; E196-S198 PolarHBondContact O-N 3.31Å; E196-N201 PolarHBondContact O-ND2 3.14Å
197N68.9Low85.3Confident134 Ų13470.8 Ų70.872%0.71735%0.35SS*.  trans-7661.8171.9-75.5-11.8000110.3
198S83.4Confident85.4Confident53 Ų5370.7 Ų70.737%0.37135%0.35SS..  trans-73.6149.4172.277.20000110E196 E200 N201 E202E196-S198 PolarHBondContact O-N 3.31Å; S198-E200 PolarHBondContact O-N 2.9Å; S198-N201 PolarHBondContact O-N 2.92Å; S198-N201 VanDerWaalsContact O-N 3.13Å; S198-N201 WeakPolarHBondContact OG-CB 3.34Å; S198-N201 PolarHBondContact OG-N 2.95Å; S198-N201 VanDerWaalsContact OG-N 3.16Å; S198-E202 PolarHBondContact O-N 2.91Å; S198-E202 VanDerWaalsContact O-N 3.16Å
199L85.9Confident85.3Confident128 Ų12870.7 Ų70.767%0.6735%0.35SS*.Hα-helixtrans-58.4-31.7176.5-178.663.7000112.1K203L199-K203 WeakPolarHBondContact O-CG 3.46Å; L199-K203 PolarHBondContact O-N 3.29Å; L199-K203 VanDerWaalsContact O-N 3.13Å
200E86.6Confident85.2Confident60 Ų6069.2 Ų69.228%0.2834%0.342SS..Hα-helixtrans-70.7-38.9178-166.864.7-168.100111.9N138 K139 A140 S198 K203 L204N138-E200 PolarHBondContact OD1-OE1 3.46Å; K139-E200 PolarHBondContact N-OE1 2.83Å; A140-E200 HydrophobicContact CB-CG 4.42Å; A140-E200 VanDerWaalsContact CB-OE1 3.25Å; A140-E200 WeakPolarHBondContact CB-OE1 3.34Å; A140-E200 PolarHBondContact N-OE1 3Å; S198-E200 PolarHBondContact O-N 2.9Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-L204 PolarHBondContact O-N 2.87Å
201N87Confident85.4Confident6 Ų666.6 Ų66.63%0.03233%0.329CS..Hα-helixtrans-65.5-40176.1-164.630.1000111.2N194 E196 S198 L204 K205N194-N201 PolarHBondContact O-ND2 3.02Å; E196-N201 PolarHBondContact O-ND2 3.14Å; S198-N201 PolarHBondContact O-N 2.92Å; S198-N201 VanDerWaalsContact O-N 3.13Å; S198-N201 WeakPolarHBondContact OG-CB 3.34Å; S198-N201 PolarHBondContact OG-N 2.95Å; S198-N201 VanDerWaalsContact OG-N 3.16Å; N201-L204 PolarHBondContact O-N 3.5Å; N201-K205 WeakPolarHBondContact O-CG 3.26Å; N201-K205 PolarHBondContact O-N 3.42Å
202E87.3Confident85.7Confident59 Ų5966.2 Ų66.228%0.27633%0.327SS..Hα-helixtrans-65.1-41175.8-68.8-57.6128.300112.5S198 L204 K205 D206S198-E202 PolarHBondContact O-N 2.91Å; S198-E202 VanDerWaalsContact O-N 3.16Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 2.93Å; E202-K205 PolarHBondContact O-N 3.37Å; E202-K205 IonicContact OE1-NZ 3.67Å; E202-K205 PolarHBondContact OE1-NZ 3.02Å; E202-D206 PolarHBondContact O-N 3.16Å
203K89.8Confident85.9Confident98 Ų9862.7 Ų62.743%0.42631%0.308SS..Hα-helixtrans-61.8-40.3172.5-71.6173.4-178.2177.40111.9A140 L199 E200 D206 E207A140-K203 HydrophobicContact CB-CB 3.69Å; L199-K203 WeakPolarHBondContact O-CG 3.46Å; L199-K203 PolarHBondContact O-N 3.29Å; L199-K203 VanDerWaalsContact O-N 3.13Å; E200-K203 PolarHBondContact O-N 3.42Å; K203-D206 PolarHBondContact O-N 2.95Å; K203-E207 WeakPolarHBondContact O-CG 3.39Å; K203-E207 PolarHBondContact O-N 2.94Å
204L91.6Very high86.3Confident7 Ų759.1 Ų59.14%0.03729%0.287CS..Hα-helixtrans-64.5-42.7177.8178.956.7000111.5A140 I143 V191 E200 N201 E202 D206 E207 L208A140-L204 HydrophobicContact CB-CB 3.93Å; I143-L204 HydrophobicContact CB-CD1 4.17Å; I143-L204 HydrophobicContact CD1-CD1 3.54Å; I143-L204 HydrophobicContact CG1-CD1 4.45Å; I143-L204 HydrophobicContact CG2-CD1 3.95Å; V191-L204 HydrophobicContact CG2-CB 4.4Å; V191-L204 HydrophobicContact CG2-CD2 3.58Å; V191-L204 HydrophobicContact CG2-CG 3.72Å; E200-L204 PolarHBondContact O-N 2.87Å; N201-L204 PolarHBondContact O-N 3.5Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 2.93Å; L204-D206 VanDerWaalsContact C-N 3.28Å; L204-D206 PolarHBondContact O-N 3.38Å; L204-E207 PolarHBondContact O-N 3.46Å; L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CG 4.06Å; L204-L208 HydrophobicContact CG-CD1 3.92Å; L204-L208 HydrophobicContact CG-CG 4.45Å; L204-L208 WeakPolarHBondContact O-CB 3.28Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.42Å
205K90.6Very high87.2Confident35 Ų3555.5 Ų55.515%0.15227%0.268CS..Hα-helixtrans-56.7-43.8173.3-71177.3-173.4167.60111.7V191 N201 E202 L208 L209 I251V191-K205 HydrophobicContact CG1-CD 4.15Å; V191-K205 HydrophobicContact CG1-CG 3.55Å; V191-K205 HydrophobicContact CG2-CG 4.35Å; N201-K205 WeakPolarHBondContact O-CG 3.26Å; N201-K205 PolarHBondContact O-N 3.42Å; E202-K205 PolarHBondContact O-N 3.37Å; E202-K205 IonicContact OE1-NZ 3.67Å; E202-K205 PolarHBondContact OE1-NZ 3.02Å; K205-L208 PolarHBondContact O-N 3.13Å; K205-L209 VanDerWaalsContact O-CB 3.23Å; K205-L209 WeakPolarHBondContact O-CB 3.32Å; K205-L209 PolarHBondContact O-N 3.33Å; K205-I251 HydrophobicContact CB-CG2 3.66Å; K205-I251 HydrophobicContact CD-CG2 4.48Å; K205-I251 HydrophobicContact CG-CG2 3.82Å
206D89.2Confident88.8Confident37 Ų3746 Ų4620%0.19823%0.226CC..Hα-helixtrans-63.6-47.2179.2-172.749.6000112.1E202 K203 L204 L208 L209 K210 L272E202-D206 PolarHBondContact O-N 3.16Å; K203-D206 PolarHBondContact O-N 2.95Å; L204-D206 VanDerWaalsContact C-N 3.28Å; L204-D206 PolarHBondContact O-N 3.38Å; D206-L208 PolarHBondContact O-N 2.96Å; D206-L209 WeakPolarHBondContact O-CB 3.36Å; D206-L209 PolarHBondContact O-N 3.05Å; D206-K210 WeakPolarHBondContact O-CG 3.44Å; D206-K210 PolarHBondContact O-N 2.97Å; D206-K210 WeakPolarHBondContact OD2-CE 3.27Å; D206-K210 IonicContact OD2-NZ 2.7Å; D206-K210 PolarHBondContact OD2-NZ 3.35Å; D206-L272 WeakPolarHBondContact OD1-CD2 3.23Å
207E92.6Very high89.9Confident49 Ų4941.1 Ų41.123%0.22920%0.202CC..Hα-helixtrans-64.5-39.6177.8-68.6-54.1138.800112.8G144 K203 L204 K210 F211G144-E207 WeakPolarHBondContact CA-OE2 3.48Å; K203-E207 WeakPolarHBondContact O-CG 3.39Å; K203-E207 PolarHBondContact O-N 2.94Å; L204-E207 PolarHBondContact O-N 3.46Å; E207-K210 PolarHBondContact O-N 3.09Å; E207-K210 IonicContact OE1-NZ 3.73Å; E207-K210 PolarHBondContact OE1-NZ 3.41Å; E207-F211 PolarHBondContact O-N 3.19Å
208L94.3Very high91.1Very high1 Ų136 Ų361%0.00518%0.177CC..Hα-helixtrans-66.8-37.9174.2-70.2168.5000112L147 T184 F187 V188 V191 L204 K205 D206 F211 C212 I251L147-L208 HydrophobicContact CD1-CD2 3.93Å; T184-L208 HydrophobicContact CG2-CD2 3.73Å; F187-L208 HydrophobicContact CB-CD2 4.3Å; V188-L208 HydrophobicContact CG2-CD1 4.11Å; V188-L208 HydrophobicContact CG2-CD2 4.06Å; V191-L208 HydrophobicContact CG2-CD1 3.82Å; L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CG 4.06Å; L204-L208 HydrophobicContact CG-CD1 3.92Å; L204-L208 HydrophobicContact CG-CG 4.45Å; L204-L208 WeakPolarHBondContact O-CB 3.28Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.42Å; K205-L208 PolarHBondContact O-N 3.13Å; D206-L208 PolarHBondContact O-N 2.96Å; L208-F211 PolarHBondContact O-N 3.45Å; L208-C212 PolarHBondContact O-N 3.38Å; L208-C212 PolarHBondContact O-SG 2.94Å; L208-I251 HydrophobicContact CB-CD1 3.53Å; L208-I251 HydrophobicContact CB-CG1 4.39Å; L208-I251 HydrophobicContact CD1-CD1 4.34Å; L208-I251 HydrophobicContact CD1-CG1 4.45Å
209L91.4Very high91.6Very high4 Ų433.5 Ų33.52%0.02116%0.16CC..Hα-helixtrans-64.2-44.9175.7178.663.5000111.1K205 D206 F211 C212 F213 L248 M258 L272K205-L209 VanDerWaalsContact O-CB 3.23Å; K205-L209 WeakPolarHBondContact O-CB 3.32Å; K205-L209 PolarHBondContact O-N 3.33Å; D206-L209 WeakPolarHBondContact O-CB 3.36Å; D206-L209 PolarHBondContact O-N 3.05Å; L209-F211 VanDerWaalsContact C-N 3.31Å; L209-F211 PolarHBondContact O-N 2.89Å; L209-C212 WeakPolarHBondContact O-CB 3.35Å; L209-C212 PolarHBondContact O-N 3.07Å; L209-C212 VanDerWaalsContact O-N 3.14Å; L209-F213 HydrophobicContact CD1-CD2 4.06Å; L209-F213 HydrophobicContact CD1-CE2 3.52Å; L209-F213 HydrophobicContact CD1-CZ 3.97Å; L209-F213 HydrophobicContact CD2-CE2 4.02Å; L209-F213 HydrophobicContact CG-CD2 3.94Å; L209-F213 HydrophobicContact CG-CE2 3.54Å; L209-F213 HydrophobicContact CG-CZ 4.42Å; L209-F213 VanDerWaalsContact O-CD2 3.29Å; L209-F213 WeakPolarHBondContact O-CD2 3.46Å; L209-F213 PolarHBondContact O-N 3.13Å; L209-L248 HydrophobicContact CD1-CD2 3.47Å; L209-L248 VanDerWaalsContact CD1-CD2 3.47Å; L209-M258 HydrophobicContact CD1-CE 4.26Å; L209-L272 HydrophobicContact CD2-CD1 3.93Å
210K91.3Very high92.1Very high60 Ų6027.4 Ų27.426%0.26113%0.128SC..Hα-helixtrans-56.7-45.5173.4-72.2170.9-170159.20111.3D206 E207 C212 F213 K214D206-K210 WeakPolarHBondContact O-CG 3.44Å; D206-K210 PolarHBondContact O-N 2.97Å; D206-K210 WeakPolarHBondContact OD2-CE 3.27Å; D206-K210 IonicContact OD2-NZ 2.7Å; D206-K210 PolarHBondContact OD2-NZ 3.35Å; E207-K210 PolarHBondContact O-N 3.09Å; E207-K210 IonicContact OE1-NZ 3.73Å; E207-K210 PolarHBondContact OE1-NZ 3.41Å; K210-C212 VanDerWaalsContact C-N 3.35Å; K210-C212 PolarHBondContact O-N 3.43Å; K210-F213 PolarHBondContact O-N 3.39Å; K210-K214 WeakPolarHBondContact O-CB 3.36Å; K210-K214 WeakPolarHBondContact O-CG 3.33Å; K210-K214 PolarHBondContact O-N 3.3Å
211F94.5Very high92.5Very high4 Ų425 Ų252%0.01812%0.117CC..Hα-helixtrans-61.2-41175.5170.8-104.6000112.7L147 T184 E207 L208 L209 K214 S215 I244L147-F211 HydrophobicContact CB-CB 4.21Å; L147-F211 HydrophobicContact CB-CD2 3.99Å; L147-F211 HydrophobicContact CB-CG 4.24Å; L147-F211 HydrophobicContact CD1-CB 3.9Å; L147-F211 HydrophobicContact CD1-CD1 4.43Å; L147-F211 HydrophobicContact CD1-CG 4.04Å; L147-F211 HydrophobicContact CD2-CD1 4.34Å; L147-F211 HydrophobicContact CD2-CD2 3.92Å; L147-F211 HydrophobicContact CD2-CE1 4.47Å; L147-F211 HydrophobicContact CD2-CE2 4.06Å; L147-F211 HydrophobicContact CD2-CG 4.06Å; L147-F211 HydrophobicContact CD2-CZ 4.33Å; L147-F211 HydrophobicContact CG-CD2 4.37Å; L147-F211 HydrophobicContact CG-CG 4.35Å; T184-F211 HydrophobicContact CG2-CD1 4.07Å; T184-F211 HydrophobicContact CG2-CE1 3.95Å; E207-F211 PolarHBondContact O-N 3.19Å; L208-F211 PolarHBondContact O-N 3.45Å; L209-F211 VanDerWaalsContact C-N 3.31Å; L209-F211 PolarHBondContact O-N 2.89Å; F211-K214 PolarHBondContact O-N 3Å; F211-S215 WeakPolarHBondContact CE2-OG 3.41Å; F211-S215 WeakPolarHBondContact CZ-OG 3.41Å; F211-S215 WeakPolarHBondContact O-CB 3.46Å; F211-S215 PolarHBondContact O-N 3.34Å; F211-S215 PolarHBondContact O-OG 3.32Å; F211-I244 HydrophobicContact CD1-CD1 4.4Å; F211-I244 HydrophobicContact CE1-CD1 3.69Å; F211-I244 HydrophobicContact CZ-CD1 4.29Å
212C95Very high92.9Very high1 Ų126 Ų261%0.00712%0.123CC..Hα-helixtrans-62.2-44.4176.8-68.10000111.6L208 L209 K210 S215 L216 I244 L248L208-C212 PolarHBondContact O-N 3.38Å; L208-C212 PolarHBondContact O-SG 2.94Å; L209-C212 WeakPolarHBondContact O-CB 3.35Å; L209-C212 PolarHBondContact O-N 3.07Å; L209-C212 VanDerWaalsContact O-N 3.14Å; K210-C212 VanDerWaalsContact C-N 3.35Å; K210-C212 PolarHBondContact O-N 3.43Å; C212-S215 PolarHBondContact O-N 3.3Å; C212-L216 WeakPolarHBondContact O-CG 3.4Å; C212-L216 PolarHBondContact O-N 2.88Å; C212-I244 HydrophobicContact CB-CG2 4.01Å; C212-L248 HydrophobicContact CB-CD2 3.55Å; C212-L248 HydrophobicContact CB-CG 3.99Å
213F92.2Very high93.2Very high18 Ų1823.1 Ų23.18%0.07911%0.11CC..Hα-helixtrans-64.3-46.7176-73-54.2000112.4L209 K210 S215 L216 K217 M258 L282 S285 M286L209-F213 HydrophobicContact CD1-CD2 4.06Å; L209-F213 HydrophobicContact CD1-CE2 3.52Å; L209-F213 HydrophobicContact CD1-CZ 3.97Å; L209-F213 HydrophobicContact CD2-CE2 4.02Å; L209-F213 HydrophobicContact CG-CD2 3.94Å; L209-F213 HydrophobicContact CG-CE2 3.54Å; L209-F213 HydrophobicContact CG-CZ 4.42Å; L209-F213 VanDerWaalsContact O-CD2 3.29Å; L209-F213 WeakPolarHBondContact O-CD2 3.46Å; L209-F213 PolarHBondContact O-N 3.13Å; K210-F213 PolarHBondContact O-N 3.39Å; F213-S215 VanDerWaalsContact C-N 3.25Å; F213-S215 PolarHBondContact O-N 3.26Å; F213-L216 HydrophobicContact CD1-CD1 4.39Å; F213-L216 PolarHBondContact O-N 3.42Å; F213-L216 VanDerWaalsContact O-N 3.14Å; F213-K217 PolarHBondContact O-N 2.99Å; F213-M258 HydrophobicContact CD1-CE 4.34Å; F213-M258 HydrophobicContact CE1-CE 3.17Å; F213-M258 HydrophobicContact CE2-CE 4.18Å; F213-M258 HydrophobicContact CZ-CE 3.07Å; F213-L282 HydrophobicContact CD1-CD1 3.72Å; F213-L282 HydrophobicContact CD2-CD1 4.16Å; F213-L282 HydrophobicContact CE1-CD1 3.41Å; F213-L282 VanDerWaalsContact CE1-CD1 3.41Å; F213-L282 HydrophobicContact CE2-CD1 3.87Å; F213-L282 HydrophobicContact CG-CD1 4.07Å; F213-L282 HydrophobicContact CZ-CD1 3.47Å; F213-L282 VanDerWaalsContact CZ-CD1 3.47Å; F213-S285 PolarHBondContact O-OG 2.92Å; F213-M286 HydrophobicContact CE1-SD 3.92Å
214K93.5Very high93.2Very high54 Ų5420.8 Ų20.824%0.23510%0.1CC..Hα-helixtrans-51.1-47.4172.3-82-178.6177-173.90111.3S148 W151 K210 F211 K217 C218S148-K214 PolarHBondContact OG-NZ 3.18Å; W151-K214 HydrophobicContact CD2-CB 3.69Å; W151-K214 HydrophobicContact CD2-CD 3.9Å; W151-K214 HydrophobicContact CD2-CG 4.02Å; W151-K214 HydrophobicContact CE3-CB 4.3Å; W151-K214 HydrophobicContact CE3-CD 3.77Å; W151-K214 HydrophobicContact CE3-CG 4.12Å; W151-K214 HydrophobicContact CG-CB 3.89Å; W151-K214 HydrophobicContact CG-CD 4.26Å; W151-K214 HydrophobicContact CH2-CG 4.33Å; W151-K214 HydrophobicContact CZ2-CB 3.94Å; W151-K214 HydrophobicContact CZ2-CG 4.23Å; W151-K214 WeakPolarHBondContact CZ2-O 3.31Å; W151-K214 HydrophobicContact CZ3-CD 4.24Å; W151-K214 HydrophobicContact CZ3-CG 4.29Å; W151-K214 PolarHBondContact NE1-O 3.4Å; K210-K214 WeakPolarHBondContact O-CB 3.36Å; K210-K214 WeakPolarHBondContact O-CG 3.33Å; K210-K214 PolarHBondContact O-N 3.3Å; F211-K214 PolarHBondContact O-N 3Å; K214-K217 PolarHBondContact O-N 2.92Å; K214-C218 PolarHBondContact O-N 3.43Å
215S95.6Very high93Very high0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-66.3-37.3178.8-62.50000113.9F211 C212 F213 C218 L220F211-S215 WeakPolarHBondContact CE2-OG 3.41Å; F211-S215 WeakPolarHBondContact CZ-OG 3.41Å; F211-S215 WeakPolarHBondContact O-CB 3.46Å; F211-S215 PolarHBondContact O-N 3.34Å; F211-S215 PolarHBondContact O-OG 3.32Å; C212-S215 PolarHBondContact O-N 3.3Å; F213-S215 VanDerWaalsContact C-N 3.25Å; F213-S215 PolarHBondContact O-N 3.26Å; S215-C218 CarbonylContact C-O 3.51Å; S215-C218 VanDerWaalsContact CA-O 3.26Å; S215-C218 WeakPolarHBondContact CA-O 3.49Å; S215-C218 CarbonylContact O-C 3.15Å; S215-C218 VanDerWaalsContact O-C 3.32Å; S215-L220 WeakPolarHBondContact O-CG 3.37Å
216L95.6Very high92.3Very high0 Ų022.4 Ų22.40%011%0.109CC..Hα-helixtrans-65.8-38.8173.6-75.9169.4000111.7C212 F213 L220 L221 I244 L248 S288 L289 L292C212-L216 WeakPolarHBondContact O-CG 3.4Å; C212-L216 PolarHBondContact O-N 2.88Å; F213-L216 HydrophobicContact CD1-CD1 4.39Å; F213-L216 PolarHBondContact O-N 3.42Å; F213-L216 VanDerWaalsContact O-N 3.14Å; L216-L220 HydrophobicContact CD2-CD1 4.16Å; L216-L220 WeakPolarHBondContact O-CB 3.31Å; L216-L221 PolarHBondContact O-N 3.36Å; L216-I244 HydrophobicContact CD2-CG2 4.36Å; L216-I244 HydrophobicContact CG-CG2 4.06Å; L216-L248 HydrophobicContact CD1-CD1 3.99Å; L216-S288 WeakPolarHBondContact O-CB 3.4Å; L216-S288 PolarHBondContact O-OG 3.43Å; L216-L289 HydrophobicContact CD1-CB 4.13Å; L216-L289 HydrophobicContact CD1-CD1 4.36Å; L216-L289 HydrophobicContact CD1-CD2 4.36Å; L216-L289 HydrophobicContact CD2-CB 4.22Å; L216-L289 HydrophobicContact CD2-CD1 4.18Å; L216-L292 HydrophobicContact CD2-CD1 3.68Å
217K92.4Very high91.3Very high55 Ų5528.6 Ų28.624%0.23914%0.137CC..Hα-helixtrans-70.5-50.6174.8-177.6-177.5179.9-168.50111.9F213 K214 L221 Q281 D284F213-K217 PolarHBondContact O-N 2.99Å; K214-K217 PolarHBondContact O-N 2.92Å; K217-L221 WeakPolarHBondContact O-CB 3.16Å; K217-L221 PolarHBondContact O-N 2.92Å; K217-Q281 HydrophobicContact CD-CB 4.4Å; K217-D284 HydrophobicContact CD-CB 4.37Å; K217-D284 WeakPolarHBondContact CE-OD2 3.38Å; K217-D284 HydrophobicContact CG-CB 3.99Å
218C92.4Very high89.6Confident26 Ų2633.2 Ų33.218%0.17616%0.159CC..THydrogen-bonded Turntrans-139.4128.3178-173.80000109.2W151 K214 S215W151-C218 HydrophobicContact CZ2-CB 3.77Å; W151-C218 PolarHBondContact NE1-O 3.04Å; K214-C218 PolarHBondContact O-N 3.43Å; S215-C218 CarbonylContact C-O 3.51Å; S215-C218 VanDerWaalsContact CA-O 3.26Å; S215-C218 WeakPolarHBondContact CA-O 3.49Å; S215-C218 CarbonylContact O-C 3.15Å; S215-C218 VanDerWaalsContact O-C 3.32Å
219P94.5Very high87.2Confident2 Ų236.6 Ų36.61%0.01318%0.182CC..THydrogen-bonded Turncis-89-5.99.534.2-35.7000114.9V159 L173 L221 T222 A223 F237 F240V159-P219 HydrophobicContact CG2-CB 3.71Å; L173-P219 HydrophobicContact CD2-CB 4.16Å; P219-L221 VanDerWaalsContact C-N 3.32Å; P219-L221 PolarHBondContact O-N 2.91Å; P219-T222 PolarHBondContact O-N 3.37Å; P219-T222 PolarHBondContact O-OG1 2.98Å; P219-A223 WeakPolarHBondContact O-CB 3.21Å; P219-A223 PolarHBondContact O-N 3.41Å; P219-A223 VanDerWaalsContact O-N 3.09Å; P219-F237 HydrophobicContact CB-CE1 4.42Å; P219-F237 HydrophobicContact CG-CD1 4.41Å; P219-F237 HydrophobicContact CG-CE1 4.21Å; P219-F240 HydrophobicContact CG-CE1 4.33Å
220L96.4Very high84.9Confident0 Ų046.4 Ų46.40%023%0.228CC..THydrogen-bonded Turntrans-68.5-23.5-163.5-69174.7000115.1S215 L216 F225 F237 F240 A241 L292 K334S215-L220 WeakPolarHBondContact O-CG 3.37Å; L216-L220 HydrophobicContact CD2-CD1 4.16Å; L216-L220 WeakPolarHBondContact O-CB 3.31Å; L220-F225 HydrophobicContact CD2-CZ 4.34Å; L220-F237 HydrophobicContact CD2-CB 4.2Å; L220-F240 HydrophobicContact CD1-CD1 3.94Å; L220-F240 HydrophobicContact CD1-CE1 4.29Å; L220-F240 HydrophobicContact CD2-CD1 3.98Å; L220-F240 HydrophobicContact CG-CD1 3.91Å; L220-F240 HydrophobicContact CG-CE1 4.32Å; L220-A241 HydrophobicContact CD1-CB 3.86Å; L220-A241 HydrophobicContact CD2-CB 3.93Å; L220-L292 HydrophobicContact CB-CD1 4.33Å; L220-L292 HydrophobicContact CD1-CD1 4Å; L220-K334 PolarHBondContact O-NZ 3.24Å
221L95.5Very high82.4Confident9 Ų951.4 Ų51.45%0.04725%0.252CS..THydrogen-bonded Turntrans-66.5-39.9177.7-173.669.9000112L216 K217 P219 D284 F323 V331 K334L216-L221 PolarHBondContact O-N 3.36Å; K217-L221 WeakPolarHBondContact O-CB 3.16Å; K217-L221 PolarHBondContact O-N 2.92Å; P219-L221 VanDerWaalsContact C-N 3.32Å; P219-L221 PolarHBondContact O-N 2.91Å; L221-D284 HydrophobicContact CD2-CB 4.2Å; L221-F323 HydrophobicContact CD1-CD1 4.21Å; L221-F323 HydrophobicContact CD1-CE1 3.45Å; L221-F323 VanDerWaalsContact CD1-CE1 3.45Å; L221-F323 HydrophobicContact CD1-CZ 4.09Å; L221-V331 HydrophobicContact CD1-CG1 4.42Å; L221-V331 HydrophobicContact CD2-CG1 4.43Å; L221-V331 HydrophobicContact CG-CG1 4.22Å; L221-V331 HydrophobicContact CG-CG2 4.27Å; L221-K334 WeakPolarHBondContact O-CD 3.39Å; L221-K334 WeakPolarHBondContact O-CE 3.41Å; L221-K334 PolarHBondContact O-NZ 2.72Å
222T94.4Very high80Confident26 Ų2655.2 Ų55.216%0.1629%0.293CS..THydrogen-bonded Turntrans-95.5-18.1-177.158.60000113.2V159 P219 S330 V331V159-T222 VanDerWaalsContact CG2-OG1 3.27Å; V159-T222 WeakPolarHBondContact CG2-OG1 3.37Å; P219-T222 PolarHBondContact O-N 3.37Å; P219-T222 PolarHBondContact O-OG1 2.98Å; T222-S330 VanDerWaalsContact O-CB 3.26Å; T222-S330 WeakPolarHBondContact O-CB 3.36Å; T222-S330 PolarHBondContact O-OG 3.15Å; T222-V331 HydrophobicContact CG2-CG2 3.77Å
223A93.8Very high78Confident0 Ų058 Ų580%032%0.322CS..  trans-57.7136.8176.700000112.4V159 P219 F237 K334V159-A223 HydrophobicContact CG1-CB 3.96Å; P219-A223 WeakPolarHBondContact O-CB 3.21Å; P219-A223 PolarHBondContact O-N 3.41Å; P219-A223 VanDerWaalsContact O-N 3.09Å; A223-F237 HydrophobicContact CB-CB 4.13Å; A223-F237 HydrophobicContact CB-CD1 4.14Å; A223-F237 HydrophobicContact CB-CD2 3.86Å; A223-F237 HydrophobicContact CB-CE2 4.33Å; A223-F237 HydrophobicContact CB-CG 3.77Å; A223-K334 PolarHBondContact O-NZ 3.4Å
224Q89.8Confident77Confident48 Ų4863.3 Ų63.322%0.22435%0.351CS..  trans-96149.3169.1-66.1-61-52.800109.7Y161 S330Y161-Q224 HydrophobicContact CD1-CG 4.33Å; Q224-S330 VanDerWaalsContact NE2-CB 3.25Å; Q224-S330 PolarHBondContact NE2-O 2.95Å
225F87.6Confident76.7Confident24 Ų2461 Ų6111%0.10534%0.341CS..  trans-112.2140.2-177.9-64.6-87.3000110.1L220 D235 F237 R238 Y291 L292 Q296L220-F225 HydrophobicContact CD2-CZ 4.34Å; F225-D235 WeakPolarHBondContact CA-OD2 3.19Å; F225-F237 HydrophobicContact CD1-CB 4.45Å; F225-F237 HydrophobicContact CE1-CB 3.84Å; F225-F237 HydrophobicContact CZ-CB 4.3Å; F225-R238 HydrophobicContact CD1-CB 4.21Å; F225-R238 HydrophobicContact CE1-CB 4.41Å; F225-Y291 AromaticContact CD2-CE1 3.86Å; F225-Y291 HydrophobicContact CD2-CE1 3.86Å; F225-Y291 HydrophobicContact CE2-CD1 4.46Å; F225-Y291 AromaticContact CE2-CE1 3.91Å; F225-Y291 HydrophobicContact CE2-CE1 3.91Å; F225-L292 HydrophobicContact CE1-CD2 3.93Å; F225-L292 HydrophobicContact CE2-CD2 3.74Å; F225-L292 HydrophobicContact CZ-CD2 3.23Å; F225-Q296 HydrophobicContact CB-CG 4.48Å; F225-Q296 HydrophobicContact CD1-CG 4.44Å; F225-Q296 HydrophobicContact CD2-CG 3.88Å; F225-Q296 HydrophobicContact CE2-CG 4.3Å; F225-Q296 HydrophobicContact CG-CG 3.98Å
226L77.2Confident76.5Confident53 Ų5362.8 Ų62.828%0.27735%0.353SS..  trans-70.7132.7176.4-59.4175.8000109.6K163 I166 Q228 D235K163-L226 HydrophobicContact CB-CD2 4.08Å; K163-L226 HydrophobicContact CD-CD2 3.66Å; K163-L226 HydrophobicContact CG-CD2 3.4Å; K163-L226 VanDerWaalsContact CG-CD2 3.4Å; I166-L226 HydrophobicContact CD1-CD2 4.31Å; L226-Q228 PolarHBondContact O-N 3.39Å; L226-D235 HydrophobicContact CD1-CB 4.33Å; L226-D235 PolarHBondContact N-OD2 3.17Å
227E66.7Low76.5Confident166 Ų16662.8 Ų62.878%0.77635%0.353SS*.  trans-52137.8167.6-73.1-179.1167.800109.7S229E227-S229 PolarHBondContact O-N 3.26Å
228Q56.8Low76.5Confident147 Ų14763.9 Ų63.969%0.68736%0.355SS*.  trans-61.996-179.3-62.6-176.410.100109.5L226L226-Q228 PolarHBondContact O-N 3.39Å
229S45.2Very low76.6Confident71 Ų7165.9 Ų65.950%0.49736%0.36SS..  trans-76.9144.9167.252.10000109.7E227 E231E227-S229 PolarHBondContact O-N 3.26Å; S229-E231 PolarHBondContact O-N 3.39Å; S229-E231 PolarHBondContact OG-O 3Å
230E41.7Very low76.7Confident211 Ų21165.8 Ų65.899%0.98636%0.359SS*.SBendtrans-59.9-21.7170.7-63.5-169.2158.500112.2G232E230-G232 PolarHBondContact O-N 3.4Å
231E39.4Very low76.7Confident165 Ų16565.8 Ų65.877%0.77136%0.359SS*.SBendtrans-81.7111.9169.4-66.5178.3171.400109.2S229 G233S229-E231 PolarHBondContact O-N 3.39Å; S229-E231 PolarHBondContact OG-O 3Å; E231-G233 PolarHBondContact O-N 2.88Å
232G44.3Very low76.7Confident84 Ų8467 Ų6787%0.86637%0.368SS*.  trans-65.555-172.700000116.6E230 N234E230-G232 PolarHBondContact O-N 3.4Å; G232-N234 PolarHBondContact O-N 3.03Å
233G52.8Low76.8Confident60 Ų6067.6 Ų67.662%0.61937%0.369SS*.  trans-66.4119.2164.200000109.9E231 D235E231-G233 PolarHBondContact O-N 2.88Å; G233-D235 PolarHBondContact O-N 3.16Å
234N72Confident76.9Confident128 Ų12867.6 Ų67.668%0.68437%0.369SS*.  trans-83.2104.3-178.4-154.111000109.4G232 P236G232-N234 PolarHBondContact O-N 3.03Å; N234-P236 WeakPolarHBondContact O-CD 3.41Å
235D87.2Confident77.2Confident7 Ų765.3 Ų65.34%0.03736%0.359CS..  trans-58.8119.2175.3178.7-34.4000110F225 L226 G233 F237 R238 Y239F225-D235 WeakPolarHBondContact CA-OD2 3.19Å; L226-D235 HydrophobicContact CD1-CB 4.33Å; L226-D235 PolarHBondContact N-OD2 3.17Å; G233-D235 PolarHBondContact O-N 3.16Å; D235-F237 VanDerWaalsContact C-N 3.31Å; D235-F237 PolarHBondContact O-N 3.29Å; D235-F237 PolarHBondContact OD1-N 3.17Å; D235-R238 HydrophobicContact CB-CB 3.71Å; D235-R238 PolarHBondContact O-N 2.86Å; D235-R238 VanDerWaalsContact O-N 3.17Å; D235-R238 PolarHBondContact OD1-N 2.96Å; D235-Y239 PolarHBondContact O-N 3.25Å
236P91.8Very high77.5Confident37 Ų3764.7 Ų64.724%0.2436%0.358CS..Hα-helixtrans-60-37.7-176.8-24.634.3000113.6I166 C174 N234 Y239 F240I166-P236 HydrophobicContact CG2-CG 3.94Å; C174-P236 HydrophobicContact CB-CB 3.81Å; C174-P236 HydrophobicContact CB-CG 4.07Å; N234-P236 WeakPolarHBondContact O-CD 3.41Å; P236-Y239 PolarHBondContact O-N 3.39Å; P236-F240 WeakPolarHBondContact O-CB 3.48Å; P236-F240 PolarHBondContact O-N 3.48Å
237F93.7Very high78.4Confident0 Ų062.6 Ų62.60%035%0.347CS..Hα-helixtrans-75.3-31.6179.4-62.9-55.9000111.4V159 P160 I166 L173 P219 L220 A223 F225 D235 F240 A241V159-F237 HydrophobicContact CG1-CE2 4.2Å; V159-F237 HydrophobicContact CG1-CZ 3.95Å; P160-F237 HydrophobicContact CG-CE2 3.93Å; P160-F237 HydrophobicContact CG-CZ 3.87Å; I166-F237 HydrophobicContact CG1-CE2 4.32Å; L173-F237 HydrophobicContact CD2-CE1 4.24Å; L173-F237 HydrophobicContact CD2-CZ 4.19Å; L173-F237 HydrophobicContact CG-CE1 4.41Å; P219-F237 HydrophobicContact CB-CE1 4.42Å; P219-F237 HydrophobicContact CG-CD1 4.41Å; P219-F237 HydrophobicContact CG-CE1 4.21Å; L220-F237 HydrophobicContact CD2-CB 4.2Å; A223-F237 HydrophobicContact CB-CB 4.13Å; A223-F237 HydrophobicContact CB-CD1 4.14Å; A223-F237 HydrophobicContact CB-CD2 3.86Å; A223-F237 HydrophobicContact CB-CE2 4.33Å; A223-F237 HydrophobicContact CB-CG 3.77Å; F225-F237 HydrophobicContact CD1-CB 4.45Å; F225-F237 HydrophobicContact CE1-CB 3.84Å; F225-F237 HydrophobicContact CZ-CB 4.3Å; D235-F237 VanDerWaalsContact C-N 3.31Å; D235-F237 PolarHBondContact O-N 3.29Å; D235-F237 PolarHBondContact OD1-N 3.17Å; F237-F240 PolarHBondContact O-N 2.95Å; F237-A241 VanDerWaalsContact O-CB 3.22Å; F237-A241 WeakPolarHBondContact O-CB 3.17Å; F237-A241 PolarHBondContact O-N 3.01Å
238R93.6Very high79.6Confident78 Ų7854.7 Ų54.729%0.29431%0.31SS..Hα-helixtrans-65.7-42.9172.2-164.7176.2-167.8-178.25.7111.6F225 D235 S242 Q296 I298F225-R238 HydrophobicContact CD1-CB 4.21Å; F225-R238 HydrophobicContact CE1-CB 4.41Å; D235-R238 HydrophobicContact CB-CB 3.71Å; D235-R238 PolarHBondContact O-N 2.86Å; D235-R238 VanDerWaalsContact O-N 3.17Å; D235-R238 PolarHBondContact OD1-N 2.96Å; R238-S242 VanDerWaalsContact O-CB 3.31Å; R238-S242 WeakPolarHBondContact O-CB 3.21Å; R238-S242 PolarHBondContact O-N 3.01Å; R238-Q296 PolarHBondContact NH2-O 3.5Å; R238-I298 HydrophobicContact CG-CD1 3.9Å; R238-I298 HydrophobicContact CG-CG1 4.26Å
239Y93.8Very high81.2Confident68 Ų6849.1 Ų49.127%0.26729%0.287SS..Hα-helixtrans-59.9-50.6172.4172.1-102.3000111K178 I181 D235 P236 A241 S242 E243K178-Y239 HydrophobicContact CG-CE1 4.09Å; I181-Y239 HydrophobicContact CB-CE1 4.38Å; I181-Y239 HydrophobicContact CG1-CE1 4.33Å; I181-Y239 HydrophobicContact CG2-CE1 4.32Å; D235-Y239 PolarHBondContact O-N 3.25Å; P236-Y239 PolarHBondContact O-N 3.39Å; Y239-A241 PolarHBondContact O-N 3.05Å; Y239-S242 PolarHBondContact O-N 3.12Å; Y239-E243 HydrophobicContact CD2-CG 4.23Å; Y239-E243 HydrophobicContact CE1-CG 4.31Å; Y239-E243 HydrophobicContact CE2-CG 3.79Å; Y239-E243 WeakPolarHBondContact O-CG 3.27Å; Y239-E243 PolarHBondContact O-N 2.82Å
240F96.4Very high83.3Confident0 Ų047.5 Ų47.50%028%0.278CS..Hα-helixtrans-57.5-48.1178.8-170.8-109.8000111.9C177 I181 P219 L220 P236 F237 S242 E243 I244C177-F240 HydrophobicContact CB-CB 4.35Å; C177-F240 HydrophobicContact CB-CD2 3.56Å; C177-F240 HydrophobicContact CB-CE2 3.95Å; C177-F240 HydrophobicContact CB-CG 3.91Å; C177-F240 WeakPolarHBondContact O-CD2 3.49Å; C177-F240 WeakPolarHBondContact O-CE2 3.45Å; I181-F240 HydrophobicContact CD1-CD2 3.6Å; I181-F240 HydrophobicContact CD1-CE2 3.61Å; I181-F240 HydrophobicContact CG1-CD2 3.57Å; I181-F240 HydrophobicContact CG1-CE2 3.9Å; P219-F240 HydrophobicContact CG-CE1 4.33Å; L220-F240 HydrophobicContact CD1-CD1 3.94Å; L220-F240 HydrophobicContact CD1-CE1 4.29Å; L220-F240 HydrophobicContact CD2-CD1 3.98Å; L220-F240 HydrophobicContact CG-CD1 3.91Å; L220-F240 HydrophobicContact CG-CE1 4.32Å; P236-F240 WeakPolarHBondContact O-CB 3.48Å; P236-F240 PolarHBondContact O-N 3.48Å; F237-F240 PolarHBondContact O-N 2.95Å; F240-S242 PolarHBondContact O-N 2.94Å; F240-E243 PolarHBondContact O-N 2.94Å; F240-I244 HydrophobicContact CD1-CG1 4.3Å; F240-I244 HydrophobicContact CE1-CG1 4.02Å; F240-I244 HydrophobicContact CE2-CD1 4.38Å; F240-I244 HydrophobicContact CE2-CG1 4.35Å; F240-I244 HydrophobicContact CZ-CD1 4.1Å; F240-I244 HydrophobicContact CZ-CG1 4.04Å; F240-I244 VanDerWaalsContact O-CG1 3.28Å; F240-I244 WeakPolarHBondContact O-CG1 3.2Å; F240-I244 PolarHBondContact O-N 3.45Å
241A96.4Very high85.5Confident0 Ų037.7 Ų37.70%023%0.232CC..Hα-helixtrans-60-45.2175.700000112.7L220 F237 Y239 E243 I244 I245 L292 I298L220-A241 HydrophobicContact CD1-CB 3.86Å; L220-A241 HydrophobicContact CD2-CB 3.93Å; F237-A241 VanDerWaalsContact O-CB 3.22Å; F237-A241 WeakPolarHBondContact O-CB 3.17Å; F237-A241 PolarHBondContact O-N 3.01Å; Y239-A241 PolarHBondContact O-N 3.05Å; A241-E243 VanDerWaalsContact C-N 3.3Å; A241-E243 PolarHBondContact O-N 3.23Å; A241-I244 PolarHBondContact O-N 2.86Å; A241-I245 WeakPolarHBondContact O-CB 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.5Å; A241-I245 PolarHBondContact O-N 2.87Å; A241-L292 HydrophobicContact CB-CD1 3.95Å; A241-L292 HydrophobicContact CB-CD2 3.85Å; A241-L292 HydrophobicContact CB-CG 4.45Å; A241-I298 HydrophobicContact CB-CD1 3.64Å
242S95.4Very high87.6Confident35 Ų3532.1 Ų32.125%0.24522%0.219CC..Hα-helixtrans-59.8-40.8178.7179.70000112.3R238 Y239 F240 G246 R299R238-S242 VanDerWaalsContact O-CB 3.31Å; R238-S242 WeakPolarHBondContact O-CB 3.21Å; R238-S242 PolarHBondContact O-N 3.01Å; Y239-S242 PolarHBondContact O-N 3.12Å; F240-S242 PolarHBondContact O-N 2.94Å; S242-G246 PolarHBondContact O-N 3.01Å; S242-R299 PolarHBondContact O-NE 3.33Å; S242-R299 PolarHBondContact O-NH2 3.31Å
243E96.8Very high89.2Confident38 Ų3830.5 Ų30.518%0.17819%0.189CC..Hα-helixtrans-73.3-43.2179.2-67.6-63.911600111.6I181 Y239 F240 A241 I245 G246 F247I181-E243 HydrophobicContact CD1-CB 3.72Å; I181-E243 HydrophobicContact CG1-CB 4.03Å; I181-E243 HydrophobicContact CG2-CB 3.77Å; I181-E243 HydrophobicContact CG2-CG 3.82Å; Y239-E243 HydrophobicContact CD2-CG 4.23Å; Y239-E243 HydrophobicContact CE1-CG 4.31Å; Y239-E243 HydrophobicContact CE2-CG 3.79Å; Y239-E243 WeakPolarHBondContact O-CG 3.27Å; Y239-E243 PolarHBondContact O-N 2.82Å; F240-E243 PolarHBondContact O-N 2.94Å; A241-E243 VanDerWaalsContact C-N 3.3Å; A241-E243 PolarHBondContact O-N 3.23Å; E243-I245 PolarHBondContact O-N 3.33Å; E243-G246 CarbonylContact O-C 3.32Å; E243-G246 VanDerWaalsContact O-CA 3.3Å; E243-G246 WeakPolarHBondContact O-CA 3.31Å; E243-G246 PolarHBondContact O-N 3.15Å; E243-F247 WeakPolarHBondContact O-CD1 3.24Å; E243-F247 WeakPolarHBondContact O-CG 3.48Å; E243-F247 PolarHBondContact O-N 2.86Å
244I96.9Very high90.6Very high0 Ų029.5 Ų29.50%017%0.172CC..Hα-helixtrans-60.2-45.4175.3-66.7-64.1000111.7I181 F211 C212 L216 F240 A241 G246 F247 L248I181-I244 HydrophobicContact CD1-CD1 3.91Å; I181-I244 HydrophobicContact CD1-CG1 4.12Å; F211-I244 HydrophobicContact CD1-CD1 4.4Å; F211-I244 HydrophobicContact CE1-CD1 3.69Å; F211-I244 HydrophobicContact CZ-CD1 4.29Å; C212-I244 HydrophobicContact CB-CG2 4.01Å; L216-I244 HydrophobicContact CD2-CG2 4.36Å; L216-I244 HydrophobicContact CG-CG2 4.06Å; F240-I244 HydrophobicContact CD1-CG1 4.3Å; F240-I244 HydrophobicContact CE1-CG1 4.02Å; F240-I244 HydrophobicContact CE2-CD1 4.38Å; F240-I244 HydrophobicContact CE2-CG1 4.35Å; F240-I244 HydrophobicContact CZ-CD1 4.1Å; F240-I244 HydrophobicContact CZ-CG1 4.04Å; F240-I244 VanDerWaalsContact O-CG1 3.28Å; F240-I244 WeakPolarHBondContact O-CG1 3.2Å; F240-I244 PolarHBondContact O-N 3.45Å; A241-I244 PolarHBondContact O-N 2.86Å; I244-G246 PolarHBondContact O-N 2.86Å; I244-F247 HydrophobicContact CD1-CD2 4.18Å; I244-F247 PolarHBondContact O-N 3.25Å; I244-L248 PolarHBondContact O-N 3.43Å; I244-L248 VanDerWaalsContact O-N 3.07Å
245I95.3Very high91.1Very high0 Ų023.4 Ų23.40%014%0.139CC..Hα-helixtrans-66.1-30.8175.8-60.6167.6000110.7A241 E243 S249 F255 L289 L292 I298 R299A241-I245 WeakPolarHBondContact O-CB 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.5Å; A241-I245 PolarHBondContact O-N 2.87Å; E243-I245 PolarHBondContact O-N 3.33Å; I245-S249 PolarHBondContact O-N 2.96Å; I245-S249 PolarHBondContact O-OG 3.31Å; I245-F255 HydrophobicContact CG2-CB 4.26Å; I245-F255 HydrophobicContact CG2-CD1 3.41Å; I245-F255 VanDerWaalsContact CG2-CD1 3.41Å; I245-F255 HydrophobicContact CG2-CE1 3.9Å; I245-F255 HydrophobicContact CG2-CG 3.87Å; I245-L289 HydrophobicContact CD1-CD1 3.91Å; I245-L289 HydrophobicContact CG1-CD1 3.72Å; I245-L292 HydrophobicContact CD1-CB 4.14Å; I245-L292 HydrophobicContact CD1-CD1 4.4Å; I245-I298 HydrophobicContact CD1-CB 4.29Å; I245-I298 HydrophobicContact CD1-CG2 3.85Å; I245-R299 HydrophobicContact CG2-CB 4.41Å
246G94.5Very high90.9Very high10 Ų1024 Ų2410%0.10314%0.143CC..Hα-helixtrans-62.2-46.8170.200000113.1S242 E243 I244 L248 S249 A250 R299S242-G246 PolarHBondContact O-N 3.01Å; E243-G246 CarbonylContact O-C 3.32Å; E243-G246 VanDerWaalsContact O-CA 3.3Å; E243-G246 WeakPolarHBondContact O-CA 3.31Å; E243-G246 PolarHBondContact O-N 3.15Å; I244-G246 PolarHBondContact O-N 2.86Å; G246-L248 PolarHBondContact O-N 3.39Å; G246-S249 WeakPolarHBondContact O-CB 3.32Å; G246-S249 PolarHBondContact O-N 2.82Å; G246-S249 VanDerWaalsContact O-N 3.14Å; G246-A250 PolarHBondContact O-N 3.21Å; G246-R299 VanDerWaalsContact CA-NH2 3.25Å
247F95Very high90.3Very high10 Ų1028.6 Ų28.64%0.04416%0.16CC..Hα-helixtrans-60.7-43.3177.1-62.9-17.7000111.5I181 T184 K185 V188 E243 I244 S249 A250 I251I181-F247 HydrophobicContact CD1-CE2 3.85Å; I181-F247 HydrophobicContact CD1-CZ 4.34Å; I181-F247 HydrophobicContact CG2-CZ 4.03Å; T184-F247 HydrophobicContact CG2-CD2 4.2Å; T184-F247 HydrophobicContact CG2-CE2 3.87Å; K185-F247 HydrophobicContact CB-CE1 4.35Å; K185-F247 HydrophobicContact CB-CZ 4.11Å; V188-F247 HydrophobicContact CB-CD1 4.16Å; V188-F247 HydrophobicContact CB-CE1 4.42Å; V188-F247 HydrophobicContact CG1-CB 4.46Å; V188-F247 HydrophobicContact CG1-CD1 3.89Å; V188-F247 HydrophobicContact CG1-CG 4.39Å; V188-F247 HydrophobicContact CG2-CB 4.19Å; V188-F247 HydrophobicContact CG2-CD1 3.83Å; V188-F247 HydrophobicContact CG2-CD2 4.15Å; V188-F247 HydrophobicContact CG2-CE1 4.18Å; V188-F247 HydrophobicContact CG2-CE2 4.48Å; V188-F247 HydrophobicContact CG2-CG 3.81Å; V188-F247 HydrophobicContact CG2-CZ 4.48Å; E243-F247 WeakPolarHBondContact O-CD1 3.24Å; E243-F247 WeakPolarHBondContact O-CG 3.48Å; E243-F247 PolarHBondContact O-N 2.86Å; I244-F247 HydrophobicContact CD1-CD2 4.18Å; I244-F247 PolarHBondContact O-N 3.25Å; F247-S249 VanDerWaalsContact C-N 3.25Å; F247-S249 PolarHBondContact O-N 3.36Å; F247-A250 WeakPolarHBondContact O-CB 3.49Å; F247-A250 PolarHBondContact O-N 3.16Å; F247-A250 VanDerWaalsContact O-N 3.1Å; F247-I251 HydrophobicContact CB-CD1 4.29Å; F247-I251 WeakPolarHBondContact O-CB 3.37Å; F247-I251 VanDerWaalsContact O-CD1 3.28Å; F247-I251 WeakPolarHBondContact O-CD1 3.46Å; F247-I251 WeakPolarHBondContact O-CG1 3.36Å; F247-I251 PolarHBondContact O-N 3.07Å
248L92.1Very high89.6Confident0 Ų028.8 Ų28.80%016%0.16CC..Hα-helixtrans-54.1-43.8173.9-71176.4000112.4L209 C212 L216 I244 G246 H253 M258L209-L248 HydrophobicContact CD1-CD2 3.47Å; L209-L248 VanDerWaalsContact CD1-CD2 3.47Å; C212-L248 HydrophobicContact CB-CD2 3.55Å; C212-L248 HydrophobicContact CB-CG 3.99Å; L216-L248 HydrophobicContact CD1-CD1 3.99Å; I244-L248 PolarHBondContact O-N 3.43Å; I244-L248 VanDerWaalsContact O-N 3.07Å; G246-L248 PolarHBondContact O-N 3.39Å; L248-H253 CarbonylContact C-O 3.49Å; L248-H253 CarbonylContact O-C 3.51Å; L248-H253 WeakPolarHBondContact O-CA 3.23Å; L248-H253 PolarHBondContact O-N 3.17Å; L248-H253 VanDerWaalsContact O-O 3.07Å; L248-M258 HydrophobicContact CD1-CE 4.34Å; L248-M258 HydrophobicContact CD1-SD 3.99Å; L248-M258 HydrophobicContact CD2-CE 4.05Å; L248-M258 HydrophobicContact CD2-SD 4.16Å; L248-M258 HydrophobicContact CG-SD 4.47Å
249S90.6Very high88.8Confident29 Ų2925.1 Ų25.120%0.20315%0.147CC..Hα-helixtrans-67.7-41.1178.7-53.60000111.8I245 G246 F247 G252 Q302I245-S249 PolarHBondContact O-N 2.96Å; I245-S249 PolarHBondContact O-OG 3.31Å; G246-S249 WeakPolarHBondContact O-CB 3.32Å; G246-S249 PolarHBondContact O-N 2.82Å; G246-S249 VanDerWaalsContact O-N 3.14Å; F247-S249 VanDerWaalsContact C-N 3.25Å; F247-S249 PolarHBondContact O-N 3.36Å; S249-G252 PolarHBondContact O-N 3.19Å; S249-Q302 PolarHBondContact OG-OE1 3.17Å
250A90.8Very high87.9Confident37 Ų3723.1 Ų23.131%0.30614%0.139SC..Hα-helixtrans-66.1-38.8179.200000113.5V188 I192 G246 F247 G252V188-A250 HydrophobicContact CG1-CB 3.65Å; I192-A250 HydrophobicContact CD1-CB 3.74Å; I192-A250 HydrophobicContact CG1-CB 3.99Å; G246-A250 PolarHBondContact O-N 3.21Å; F247-A250 WeakPolarHBondContact O-CB 3.49Å; F247-A250 PolarHBondContact O-N 3.16Å; F247-A250 VanDerWaalsContact O-N 3.1Å; A250-G252 PolarHBondContact O-N 3.5Å
251I87.9Confident86.7Confident5 Ų525 Ų253%0.02615%0.149CC..THydrogen-bonded Turntrans-72.7-10.2-177.7-64160.3000111.8V188 K205 L208 F247V188-I251 HydrophobicContact CG1-CG1 4.45Å; K205-I251 HydrophobicContact CB-CG2 3.66Å; K205-I251 HydrophobicContact CD-CG2 4.48Å; K205-I251 HydrophobicContact CG-CG2 3.82Å; L208-I251 HydrophobicContact CB-CD1 3.53Å; L208-I251 HydrophobicContact CB-CG1 4.39Å; L208-I251 HydrophobicContact CD1-CD1 4.34Å; L208-I251 HydrophobicContact CD1-CG1 4.45Å; F247-I251 HydrophobicContact CB-CD1 4.29Å; F247-I251 WeakPolarHBondContact O-CB 3.37Å; F247-I251 VanDerWaalsContact O-CD1 3.28Å; F247-I251 WeakPolarHBondContact O-CD1 3.46Å; F247-I251 WeakPolarHBondContact O-CG1 3.36Å; F247-I251 PolarHBondContact O-N 3.07Å
252G82.1Confident85.3Confident48 Ų4828 Ų2850%0.49516%0.164SC..THydrogen-bonded Turntrans98.810.9179.300000114.1S249 A250 P254S249-G252 PolarHBondContact O-N 3.19Å; A250-G252 PolarHBondContact O-N 3.5Å; G252-P254 WeakPolarHBondContact O-CD 3.16Å
253H78.5Confident83.5Confident51 Ų5130.2 Ų30.224%0.23619%0.191CC..  trans-116.667.6175.8-62.2-63.5000111.6L248 F255 M258 W269L248-H253 CarbonylContact C-O 3.49Å; L248-H253 CarbonylContact O-C 3.51Å; L248-H253 WeakPolarHBondContact O-CA 3.23Å; L248-H253 PolarHBondContact O-N 3.17Å; L248-H253 VanDerWaalsContact O-O 3.07Å; H253-F255 PolarHBondContact O-N 3.48Å; H253-M258 HydrophobicContact CB-SD 4.49Å; H253-W269 HydrophobicContact CB-CH2 3.92Å; H253-W269 HydrophobicContact CB-CZ3 3.79Å; H253-W269 AromaticContact CE1-CZ3 3.8Å; H253-W269 AromaticContact CG-CZ3 3.53Å; H253-W269 AromaticContact ND1-CE3 3.93Å; H253-W269 AromaticContact ND1-CH2 3.76Å; H253-W269 AromaticContact ND1-CZ3 3.1Å; H253-W269 WeakPolarHBondContact ND1-CZ3 3.29Å
254P82.9Confident81.7Confident38 Ų3834.3 Ų34.325%0.24721%0.205CC..  trans-54.5132.9179.8-25.332.6000112.1G252 P256 K257 M258G252-P254 WeakPolarHBondContact O-CD 3.16Å; P254-P256 VanDerWaalsContact C-N 3.27Å; P254-P256 WeakPolarHBondContact O-CD 3.37Å; P254-P256 VanDerWaalsContact O-N 3.14Å; P254-K257 WeakPolarHBondContact O-CB 3.28Å; P254-K257 PolarHBondContact O-N 3.44Å; P254-M258 PolarHBondContact O-N 3.31Å
255F80.8Confident79.3Confident0 Ų045 Ų450%025%0.252CS..Hα-helixtrans-55.6-29.2-178.976.4-89.7000114.8I245 H253 K257 M258 I259 L289 V293 R299 Q302 L303I245-F255 HydrophobicContact CG2-CB 4.26Å; I245-F255 HydrophobicContact CG2-CD1 3.41Å; I245-F255 VanDerWaalsContact CG2-CD1 3.41Å; I245-F255 HydrophobicContact CG2-CE1 3.9Å; I245-F255 HydrophobicContact CG2-CG 3.87Å; H253-F255 PolarHBondContact O-N 3.48Å; F255-K257 VanDerWaalsContact C-N 3.32Å; F255-K257 PolarHBondContact O-N 2.84Å; F255-M258 WeakPolarHBondContact O-CB 3.41Å; F255-M258 PolarHBondContact O-N 2.92Å; F255-M258 VanDerWaalsContact O-N 3.1Å; F255-I259 HydrophobicContact CD2-CD1 3.84Å; F255-I259 HydrophobicContact CE2-CD1 4.47Å; F255-I259 WeakPolarHBondContact O-CG1 3.32Å; F255-I259 PolarHBondContact O-N 3.32Å; F255-L289 HydrophobicContact CB-CD1 4.18Å; F255-L289 HydrophobicContact CB-CD2 4.07Å; F255-V293 HydrophobicContact CD2-CG1 4.49Å; F255-V293 HydrophobicContact CD2-CG2 3.65Å; F255-V293 HydrophobicContact CE2-CB 4.28Å; F255-V293 HydrophobicContact CE2-CG1 3.74Å; F255-V293 HydrophobicContact CE2-CG2 3.48Å; F255-V293 VanDerWaalsContact CE2-CG2 3.48Å; F255-V293 HydrophobicContact CZ-CG2 4.36Å; F255-R299 HydrophobicContact CE1-CB 4.05Å; F255-R299 HydrophobicContact CZ-CB 4.25Å; F255-R299 VanDerWaalsContact CZ-O 3.27Å; F255-R299 WeakPolarHBondContact CZ-O 3.36Å; F255-Q302 HydrophobicContact CE1-CB 3.81Å; F255-Q302 HydrophobicContact CE1-CG 4.23Å; F255-Q302 HydrophobicContact CZ-CB 3.91Å; F255-L303 HydrophobicContact CD2-CD1 4.11Å; F255-L303 HydrophobicContact CE2-CD1 3.1Å; F255-L303 HydrophobicContact CZ-CD1 3.51Å
256P83.1Confident76.8Confident19 Ų1954 Ų5412%0.12329%0.291CS..Hα-helixtrans-61.8-40.9174.1-22.935.3000111.9P254 M258 F260 L303P254-P256 VanDerWaalsContact C-N 3.27Å; P254-P256 WeakPolarHBondContact O-CD 3.37Å; P254-P256 VanDerWaalsContact O-N 3.14Å; P256-M258 VanDerWaalsContact C-N 3.26Å; P256-M258 PolarHBondContact O-N 2.9Å; P256-F260 HydrophobicContact CB-CD2 4.41Å; P256-F260 HydrophobicContact CB-CE2 4.18Å; P256-F260 WeakPolarHBondContact O-CD2 3.27Å; P256-F260 WeakPolarHBondContact O-CG 3.38Å; P256-F260 PolarHBondContact O-N 2.63Å; P256-F260 VanDerWaalsContact O-N 3.09Å; P256-L303 HydrophobicContact CB-CD1 4.48Å; P256-L303 HydrophobicContact CG-CD1 4.07Å
257K80.8Confident74.4Confident135 Ų13559.4 Ų59.459%0.58731%0.308SS*.Hα-helixtrans-65.3-33.4175.9-68.7-177-179.9175.70111.3P254 F255 N261P254-K257 WeakPolarHBondContact O-CB 3.28Å; P254-K257 PolarHBondContact O-N 3.44Å; F255-K257 VanDerWaalsContact C-N 3.32Å; F255-K257 PolarHBondContact O-N 2.84Å; K257-N261 WeakPolarHBondContact O-CB 3.28Å; K257-N261 VanDerWaalsContact O-CG 3.24Å; K257-N261 PolarHBondContact O-N 2.68Å; K257-N261 PolarHBondContact O-ND2 3.11Å
258M77.9Confident71.8Confident3 Ų363.7 Ų63.72%0.01534%0.335CS..Hα-helixtrans-68-52.7178.1-59.3170.884.200111.1L209 F213 L248 H253 P254 F255 P256 F260 N261 H262 W269 M286L209-M258 HydrophobicContact CD1-CE 4.26Å; F213-M258 HydrophobicContact CD1-CE 4.34Å; F213-M258 HydrophobicContact CE1-CE 3.17Å; F213-M258 HydrophobicContact CE2-CE 4.18Å; F213-M258 HydrophobicContact CZ-CE 3.07Å; L248-M258 HydrophobicContact CD1-CE 4.34Å; L248-M258 HydrophobicContact CD1-SD 3.99Å; L248-M258 HydrophobicContact CD2-CE 4.05Å; L248-M258 HydrophobicContact CD2-SD 4.16Å; L248-M258 HydrophobicContact CG-SD 4.47Å; H253-M258 HydrophobicContact CB-SD 4.49Å; P254-M258 PolarHBondContact O-N 3.31Å; F255-M258 WeakPolarHBondContact O-CB 3.41Å; F255-M258 PolarHBondContact O-N 2.92Å; F255-M258 VanDerWaalsContact O-N 3.1Å; P256-M258 VanDerWaalsContact C-N 3.26Å; P256-M258 PolarHBondContact O-N 2.9Å; M258-F260 PolarHBondContact O-N 3.38Å; M258-N261 PolarHBondContact O-N 3.09Å; M258-H262 WeakPolarHBondContact O-CB 3.47Å; M258-H262 PolarHBondContact O-N 2.9Å; M258-W269 HydrophobicContact CB-CH2 4.4Å; M258-W269 HydrophobicContact CB-CZ2 4.09Å; M258-W269 HydrophobicContact CE-CH2 4.38Å; M258-W269 HydrophobicContact CG-CH2 3.3Å; M258-W269 HydrophobicContact CG-CZ2 3.45Å; M258-W269 VanDerWaalsContact CG-CZ2 3.45Å; M258-W269 HydrophobicContact CG-CZ3 4.38Å; M258-W269 HydrophobicContact SD-CH2 4.28Å; M258-M286 HydrophobicContact CB-CE 3.74Å; M258-M286 HydrophobicContact CB-SD 4.27Å; M258-M286 HydrophobicContact CE-SD 4.36Å
259I76.9Confident69.8Low1 Ų166.5 Ų66.51%0.00535%0.346CS..Hα-helixtrans-59.6-46.9-178.9-67174.5000110.8F255 N261 M286 L289 V293 F294F255-I259 HydrophobicContact CD2-CD1 3.84Å; F255-I259 HydrophobicContact CE2-CD1 4.47Å; F255-I259 WeakPolarHBondContact O-CG1 3.32Å; F255-I259 PolarHBondContact O-N 3.32Å; I259-N261 PolarHBondContact O-N 3.32Å; I259-M286 HydrophobicContact CG1-CE 4.18Å; I259-L289 HydrophobicContact CD1-CG 4.31Å; I259-L289 HydrophobicContact CG1-CD2 4.25Å; I259-L289 HydrophobicContact CG1-CG 4.41Å; I259-V293 HydrophobicContact CD1-CB 4.41Å; I259-V293 HydrophobicContact CD1-CG1 4.48Å; I259-V293 HydrophobicContact CD1-CG2 4.23Å; I259-F294 HydrophobicContact CD1-CE2 4.13Å; I259-F294 HydrophobicContact CG2-CE2 3.95Å; I259-F294 HydrophobicContact CG2-CZ 4.17Å
260F74.9Confident67.4Low26 Ų2671.9 Ų71.911%0.11437%0.372CS..Hα-helixtrans-79.3-17.3-175.3-61.1-53.6000115.1P256 M258 R264 L303 L307 Y311 F315P256-F260 HydrophobicContact CB-CD2 4.41Å; P256-F260 HydrophobicContact CB-CE2 4.18Å; P256-F260 WeakPolarHBondContact O-CD2 3.27Å; P256-F260 WeakPolarHBondContact O-CG 3.38Å; P256-F260 PolarHBondContact O-N 2.63Å; P256-F260 VanDerWaalsContact O-N 3.09Å; M258-F260 PolarHBondContact O-N 3.38Å; F260-R264 PolarHBondContact O-NE 2.8Å; F260-R264 VanDerWaalsContact O-NE 3.11Å; F260-L303 HydrophobicContact CZ-CD2 4.23Å; F260-L307 HydrophobicContact CE1-CD1 4.15Å; F260-L307 HydrophobicContact CE2-CD1 4.31Å; F260-L307 HydrophobicContact CZ-CD1 3.48Å; F260-L307 VanDerWaalsContact CZ-CD1 3.48Å; F260-Y311 AromaticContact CD1-CE1 3.91Å; F260-Y311 HydrophobicContact CD1-CE1 3.91Å; F260-Y311 HydrophobicContact CE1-CD1 4.49Å; F260-Y311 AromaticContact CE1-CE1 3.85Å; F260-Y311 HydrophobicContact CE1-CE1 3.85Å; F260-F315 HydrophobicContact CB-CE1 4.49Å; F260-F315 HydrophobicContact CD1-CD1 4.24Å; F260-F315 HydrophobicContact CD1-CD2 4.19Å; F260-F315 HydrophobicContact CD1-CE1 4.29Å; F260-F315 HydrophobicContact CD1-CE2 4.35Å; F260-F315 HydrophobicContact CD1-CG 4.21Å; F260-F315 HydrophobicContact CD1-CZ 4.38Å; F260-F315 HydrophobicContact CE1-CD2 4.49Å; F260-F315 WeakPolarHBondContact O-CE1 3.46Å
261N70.7Confident65Low40 Ų4078.2 Ų78.221%0.21439%0.39CS..Hα-helixtrans-100.2-13.8178-67.3-36.6000113.6K257 M258 I259 G263 R264K257-N261 WeakPolarHBondContact O-CB 3.28Å; K257-N261 VanDerWaalsContact O-CG 3.24Å; K257-N261 PolarHBondContact O-N 2.68Å; K257-N261 PolarHBondContact O-ND2 3.11Å; M258-N261 PolarHBondContact O-N 3.09Å; I259-N261 PolarHBondContact O-N 3.32Å; N261-G263 PolarHBondContact O-N 3.3Å; N261-R264 PolarHBondContact O-N 3.21Å
262H66.9Low63Low64 Ų6479.1 Ų79.130%0.29639%0.394SS..THydrogen-bonded Turntrans-59.8130.7176.2-173.6-94.8000110.7M258 R264 M286 H319M258-H262 WeakPolarHBondContact O-CB 3.47Å; M258-H262 PolarHBondContact O-N 2.9Å; H262-R264 PolarHBondContact O-N 3.09Å; H262-M286 HydrophobicContact CB-CE 4.31Å; H262-H319 AromaticContact ND1-CE1 3.67Å
263G58Low60.8Low80 Ų8086.6 Ų86.683%0.82542%0.416SS*.THydrogen-bonded Turntrans81.70.5-178.700000116.5N261N261-G263 PolarHBondContact O-N 3.3Å
264R59.8Low59.2Low125 Ų12586.2 Ų86.247%0.47241%0.414SS..  trans-82.3140.5172.1-65.1-172.2-178.1-166.30.3111.4F260 N261 H262 K266F260-R264 PolarHBondContact O-NE 2.8Å; F260-R264 VanDerWaalsContact O-NE 3.11Å; N261-R264 PolarHBondContact O-N 3.21Å; H262-R264 PolarHBondContact O-N 3.09Å; R264-K266 CarbonylContact O-C 3.51Å; R264-K266 PolarHBondContact O-N 3.21Å
265K46.4Very low57.3Low225 Ų22591.5 Ų91.598%0.97844%0.436SS*.SBendtrans-56.7-22.2-179.1-69.3-174.5178.5-178.40114.9
266K41.7Very low55.6Low187 Ų187100 Ų10081%0.81348%0.475SS*.SBendtrans-103.295.3168.2-98.8-178.71731790108.1R264 T268R264-K266 CarbonylContact O-C 3.51Å; R264-K266 PolarHBondContact O-N 3.21Å; K266-T268 PolarHBondContact O-N 3.26Å; K266-T268 VanDerWaalsContact O-N 3.16Å
267R45.4Very low53.8Low124 Ų124106.1 Ų106.147%0.46850%0.502SS..  trans-64.6111.6163.7-66.2-178.3-176.3-173.30.6106.3W269 D279R267-W269 PolarHBondContact O-N 2.97Å; R267-D279 IonicContact CZ-OD1 2.69Å; R267-D279 VanDerWaalsContact CZ-OD1 3.28Å; R267-D279 IonicContact CZ-OD2 2.67Å; R267-D279 IonicContact NH1-OD1 3.06Å; R267-D279 PolarHBondContact NH1-OD1 2.89Å; R267-D279 IonicContact NH1-OD2 3.99Å; R267-D279 IonicContact NH2-OD1 2.77Å; R267-D279 PolarHBondContact NH2-OD1 2.73Å; R267-D279 IonicContact NH2-OD2 2.65Å; R267-D279 PolarHBondContact NH2-OD2 3.21Å
268T39.5Very low52.4Low101 Ų101103.2 Ų103.262%0.6249%0.491SS*.SBendtrans-72.13167.519.40000112.5K266 N270K266-T268 PolarHBondContact O-N 3.26Å; K266-T268 VanDerWaalsContact O-N 3.16Å; T268-N270 PolarHBondContact O-N 2.95Å
269W49.2Very low51.6Low58 Ų58105.6 Ų105.622%0.2250%0.503CS..  trans-87.275.6173.8-50.999.5000108.4H253 M258 R267 Y271H253-W269 HydrophobicContact CB-CH2 3.92Å; H253-W269 HydrophobicContact CB-CZ3 3.79Å; H253-W269 AromaticContact CE1-CZ3 3.8Å; H253-W269 AromaticContact CG-CZ3 3.53Å; H253-W269 AromaticContact ND1-CE3 3.93Å; H253-W269 AromaticContact ND1-CH2 3.76Å; H253-W269 AromaticContact ND1-CZ3 3.1Å; H253-W269 WeakPolarHBondContact ND1-CZ3 3.29Å; M258-W269 HydrophobicContact CB-CH2 4.4Å; M258-W269 HydrophobicContact CB-CZ2 4.09Å; M258-W269 HydrophobicContact CE-CH2 4.38Å; M258-W269 HydrophobicContact CG-CH2 3.3Å; M258-W269 HydrophobicContact CG-CZ2 3.45Å; M258-W269 VanDerWaalsContact CG-CZ2 3.45Å; M258-W269 HydrophobicContact CG-CZ3 4.38Å; M258-W269 HydrophobicContact SD-CH2 4.28Å; R267-W269 PolarHBondContact O-N 2.97Å; W269-Y271 PolarHBondContact O-N 3.34Å
270N40.7Very low50.9Low142 Ų142112.9 Ų112.976%0.75954%0.535SS*.THydrogen-bonded Turntrans-66.76.6178.5-79.3-6.8000114T268T268-N270 PolarHBondContact O-N 2.95Å
271Y41.4Very low50.6Low171 Ų171115.4 Ų115.467%0.67155%0.547SS*.THydrogen-bonded Turntrans-118.4-5.6-163.1-74.5-80.8000115.5W269W269-Y271 PolarHBondContact O-N 3.34Å
272L44.8Very low51.1Low23 Ų23114.9 Ų114.912%0.1254%0.544CS..  trans-13483.8-178.1-69.9154.6000108.8D206 L209 F274D206-L272 WeakPolarHBondContact OD1-CD2 3.23Å; L209-L272 HydrophobicContact CD2-CD1 3.93Å; L272-F274 HydrophobicContact CB-CD1 4.25Å; L272-F274 HydrophobicContact CB-CD2 3.59Å; L272-F274 HydrophobicContact CB-CE1 4.07Å; L272-F274 HydrophobicContact CB-CE2 3.35Å; L272-F274 HydrophobicContact CB-CG 4.06Å; L272-F274 HydrophobicContact CB-CZ 3.63Å; L272-F274 HydrophobicContact CD1-CE2 3.59Å; L272-F274 HydrophobicContact CD1-CZ 3.55Å; L272-F274 HydrophobicContact CD2-CD1 4.25Å; L272-F274 HydrophobicContact CD2-CE1 3.44Å; L272-F274 VanDerWaalsContact CD2-CE1 3.44Å; L272-F274 HydrophobicContact CD2-CE2 3.97Å; L272-F274 HydrophobicContact CD2-CZ 3.27Å; L272-F274 HydrophobicContact CG-CD2 4.48Å; L272-F274 HydrophobicContact CG-CE1 4.17Å; L272-F274 HydrophobicContact CG-CE2 3.78Å; L272-F274 HydrophobicContact CG-CZ 3.61Å; L272-F274 PolarHBondContact O-N 3.4Å
273E37.5Very low52.2Low205 Ų205112.8 Ų112.896%0.95854%0.538SS*.  trans-68.583.3158.3-79.2-175.9166.100107
274F44.3Very low53.8Low43 Ų43109.2 Ų109.219%0.18950%0.5CS..  trans-80.2135.9174.9-77.7-44.6000109.5L272 E278 L282L272-F274 HydrophobicContact CB-CD1 4.25Å; L272-F274 HydrophobicContact CB-CD2 3.59Å; L272-F274 HydrophobicContact CB-CE1 4.07Å; L272-F274 HydrophobicContact CB-CE2 3.35Å; L272-F274 HydrophobicContact CB-CG 4.06Å; L272-F274 HydrophobicContact CB-CZ 3.63Å; L272-F274 HydrophobicContact CD1-CE2 3.59Å; L272-F274 HydrophobicContact CD1-CZ 3.55Å; L272-F274 HydrophobicContact CD2-CD1 4.25Å; L272-F274 HydrophobicContact CD2-CE1 3.44Å; L272-F274 VanDerWaalsContact CD2-CE1 3.44Å; L272-F274 HydrophobicContact CD2-CE2 3.97Å; L272-F274 HydrophobicContact CD2-CZ 3.27Å; L272-F274 HydrophobicContact CG-CD2 4.48Å; L272-F274 HydrophobicContact CG-CE1 4.17Å; L272-F274 HydrophobicContact CG-CE2 3.78Å; L272-F274 HydrophobicContact CG-CZ 3.61Å; L272-F274 PolarHBondContact O-N 3.4Å; F274-E278 WeakPolarHBondContact CA-OE2 3.37Å; F274-E278 HydrophobicContact CB-CB 3.55Å; F274-E278 HydrophobicContact CD1-CB 3.7Å; F274-E278 VanDerWaalsContact CD1-CD 3.44Å; F274-E278 HydrophobicContact CD1-CG 4.08Å; F274-E278 VanDerWaalsContact CD1-OE2 3.24Å; F274-E278 WeakPolarHBondContact CD1-OE2 3.45Å; F274-E278 HydrophobicContact CG-CB 3.76Å; F274-L282 HydrophobicContact CE2-CD2 4.5Å
275E42.7Very low55.4Low150 Ų150103.4 Ų103.470%0.70148%0.479SS*.  trans-63.8160.4169-65.7-170.3171.300109.9E277 E278 D279E275-E277 PolarHBondContact O-N 2.82Å; E275-E278 PolarHBondContact N-OE2 3.43Å; E275-E278 WeakPolarHBondContact O-CB 3.48Å; E275-E278 PolarHBondContact O-N 2.92Å; E275-D279 PolarHBondContact O-N 3.02Å
276E45Very low57.5Low177 Ų17792.9 Ų92.983%0.82743%0.433SS*.Hα-helixtrans-54.1-26.4-174.9-70.7-173.6163.300114.1
277E44.6Very low60.1Low148 Ų14884 Ų8469%0.69239%0.394SS*.Hα-helixtrans-74.6-31.2178.2-147.1164.7-152.900112.5E275 Q281E275-E277 PolarHBondContact O-N 2.82Å; E277-Q281 WeakPolarHBondContact O-CG 3.26Å
278E52.6Low62.5Low75 Ų7578.1 Ų78.135%0.3537%0.372SS..Hα-helixtrans-77.7-27.6176.8-72.5174.6135.300112.2F274 E275 K280 Q281 L282F274-E278 WeakPolarHBondContact CA-OE2 3.37Å; F274-E278 HydrophobicContact CB-CB 3.55Å; F274-E278 HydrophobicContact CD1-CB 3.7Å; F274-E278 VanDerWaalsContact CD1-CD 3.44Å; F274-E278 HydrophobicContact CD1-CG 4.08Å; F274-E278 VanDerWaalsContact CD1-OE2 3.24Å; F274-E278 WeakPolarHBondContact CD1-OE2 3.45Å; F274-E278 HydrophobicContact CG-CB 3.76Å; E275-E278 PolarHBondContact N-OE2 3.43Å; E275-E278 WeakPolarHBondContact O-CB 3.48Å; E275-E278 PolarHBondContact O-N 2.92Å; E278-K280 VanDerWaalsContact C-N 3.3Å; E278-K280 PolarHBondContact O-N 3.49Å; E278-Q281 WeakPolarHBondContact O-CB 3.37Å; E278-Q281 PolarHBondContact O-N 3.06Å; E278-Q281 VanDerWaalsContact O-N 3.09Å; E278-L282 PolarHBondContact O-N 3.01Å
279D60.9Low65.2Low52 Ų5273.3 Ų73.328%0.27834%0.342SS..Hα-helixtrans-60.9-37.7171.9-92.8-6000112.3R267 E275 L282 A283R267-D279 IonicContact CZ-OD1 2.69Å; R267-D279 VanDerWaalsContact CZ-OD1 3.28Å; R267-D279 IonicContact CZ-OD2 2.67Å; R267-D279 IonicContact NH1-OD1 3.06Å; R267-D279 PolarHBondContact NH1-OD1 2.89Å; R267-D279 IonicContact NH1-OD2 3.99Å; R267-D279 IonicContact NH2-OD1 2.77Å; R267-D279 PolarHBondContact NH2-OD1 2.73Å; R267-D279 IonicContact NH2-OD2 2.65Å; R267-D279 PolarHBondContact NH2-OD2 3.21Å; E275-D279 PolarHBondContact O-N 3.02Å; D279-L282 PolarHBondContact O-N 3.22Å; D279-A283 PolarHBondContact O-N 2.68Å
280K62Low67.3Low155 Ų15570.5 Ų70.567%0.67433%0.332SS*.Hα-helixtrans-67.3-38.1172.8-72.4-179.5-178.2170.20111.8E278 L282 A283 D284E278-K280 VanDerWaalsContact C-N 3.3Å; E278-K280 PolarHBondContact O-N 3.49Å; K280-L282 VanDerWaalsContact C-N 3.32Å; K280-A283 WeakPolarHBondContact O-CB 3.3Å; K280-A283 PolarHBondContact O-N 3.36Å; K280-D284 PolarHBondContact O-N 3.35Å
281Q67.7Low70Confident79 Ų7963.9 Ų63.937%0.36930%0.296SS..Hα-helixtrans-67.4-36.3178-55.4-172.614.500111.8K217 E277 E278 S285K217-Q281 HydrophobicContact CD-CB 4.4Å; E277-Q281 WeakPolarHBondContact O-CG 3.26Å; E278-Q281 WeakPolarHBondContact O-CB 3.37Å; E278-Q281 PolarHBondContact O-N 3.06Å; E278-Q281 VanDerWaalsContact O-N 3.09Å; Q281-S285 PolarHBondContact O-N 3.43Å; Q281-S285 PolarHBondContact O-OG 3.24Å
282L83.2Confident72.6Confident29 Ų2955.8 Ų55.815%0.15226%0.264CS..Hα-helixtrans-65.9-42173.4-172.764.4000110.9F213 F274 E278 D279 K280 D284 S285 M286F213-L282 HydrophobicContact CD1-CD1 3.72Å; F213-L282 HydrophobicContact CD2-CD1 4.16Å; F213-L282 HydrophobicContact CE1-CD1 3.41Å; F213-L282 VanDerWaalsContact CE1-CD1 3.41Å; F213-L282 HydrophobicContact CE2-CD1 3.87Å; F213-L282 HydrophobicContact CG-CD1 4.07Å; F213-L282 HydrophobicContact CZ-CD1 3.47Å; F213-L282 VanDerWaalsContact CZ-CD1 3.47Å; F274-L282 HydrophobicContact CE2-CD2 4.5Å; E278-L282 PolarHBondContact O-N 3.01Å; D279-L282 PolarHBondContact O-N 3.22Å; K280-L282 VanDerWaalsContact C-N 3.32Å; L282-D284 VanDerWaalsContact C-N 3.33Å; L282-D284 PolarHBondContact O-N 2.85Å; L282-S285 WeakPolarHBondContact O-CB 3.18Å; L282-S285 PolarHBondContact O-N 3.31Å; L282-M286 HydrophobicContact CD1-CG 4.25Å; L282-M286 HydrophobicContact CG-CG 4.2Å; L282-M286 WeakPolarHBondContact O-CB 3.42Å; L282-M286 WeakPolarHBondContact O-CG 3.33Å; L282-M286 PolarHBondContact O-N 3.34Å
283A87.9Confident74.9Confident19 Ų1954.7 Ų54.716%0.15726%0.259CS..Hα-helixtrans-58.5-42.2177.600000112.6D279 K280 M286 A287 V322D279-A283 PolarHBondContact O-N 2.68Å; K280-A283 WeakPolarHBondContact O-CB 3.3Å; K280-A283 PolarHBondContact O-N 3.36Å; A283-M286 PolarHBondContact O-N 2.93Å; A283-A287 WeakPolarHBondContact O-CB 3.49Å; A283-A287 PolarHBondContact O-N 3.1Å; A283-V322 HydrophobicContact CB-CG2 4.1Å
284D92.4Very high77.5Confident6 Ų646.6 Ų46.63%0.03222%0.221CC..Hα-helixtrans-61.6-47.4174.2-71-23.3000112.1K217 L221 K280 L282 M286 A287 S288 V322 R326K217-D284 HydrophobicContact CD-CB 4.37Å; K217-D284 WeakPolarHBondContact CE-OD2 3.38Å; K217-D284 HydrophobicContact CG-CB 3.99Å; L221-D284 HydrophobicContact CD2-CB 4.2Å; K280-D284 PolarHBondContact O-N 3.35Å; L282-D284 VanDerWaalsContact C-N 3.33Å; L282-D284 PolarHBondContact O-N 2.85Å; D284-M286 VanDerWaalsContact C-N 3.29Å; D284-M286 PolarHBondContact O-N 3.48Å; D284-A287 PolarHBondContact O-N 3.02Å; D284-S288 WeakPolarHBondContact O-CB 3.06Å; D284-S288 PolarHBondContact O-N 3.1Å; D284-V322 WeakPolarHBondContact OD1-CG1 3.47Å; D284-R326 IonicContact OD1-CZ 3.97Å; D284-R326 IonicContact OD1-NE 3.66Å; D284-R326 PolarHBondContact OD1-NE 2.84Å; D284-R326 IonicContact OD1-NH2 2.7Å; D284-R326 PolarHBondContact OD1-NH2 2.98Å; D284-R326 IonicContact OD2-CZ 2.8Å; D284-R326 IonicContact OD2-NH2 3.93Å; D284-R326 PolarHBondContact OD2-NH2 2.83Å
285S93.1Very high79.9Confident3 Ų345.8 Ų45.82%0.02122%0.219CC..Hα-helixtrans-60.9-42179.8-52.60000111F213 Q281 L282 S288 L289F213-S285 PolarHBondContact O-OG 2.92Å; Q281-S285 PolarHBondContact O-N 3.43Å; Q281-S285 PolarHBondContact O-OG 3.24Å; L282-S285 WeakPolarHBondContact O-CB 3.18Å; L282-S285 PolarHBondContact O-N 3.31Å; S285-S288 PolarHBondContact O-N 3.15Å; S285-L289 WeakPolarHBondContact O-CB 3.49Å; S285-L289 PolarHBondContact O-N 3.29Å
286M92.1Very high82.3Confident4 Ų439.9 Ų39.92%0.0219%0.191CC..Hα-helixtrans-72-36.4179-68.2-56.4-5400112.5F213 M258 I259 H262 L282 A283 D284 L289 A290F213-M286 HydrophobicContact CE1-SD 3.92Å; M258-M286 HydrophobicContact CB-CE 3.74Å; M258-M286 HydrophobicContact CB-SD 4.27Å; M258-M286 HydrophobicContact CE-SD 4.36Å; I259-M286 HydrophobicContact CG1-CE 4.18Å; H262-M286 HydrophobicContact CB-CE 4.31Å; L282-M286 HydrophobicContact CD1-CG 4.25Å; L282-M286 HydrophobicContact CG-CG 4.2Å; L282-M286 WeakPolarHBondContact O-CB 3.42Å; L282-M286 WeakPolarHBondContact O-CG 3.33Å; L282-M286 PolarHBondContact O-N 3.34Å; A283-M286 PolarHBondContact O-N 2.93Å; D284-M286 VanDerWaalsContact C-N 3.29Å; D284-M286 PolarHBondContact O-N 3.48Å; M286-L289 HydrophobicContact CE-CD2 3.91Å; M286-L289 PolarHBondContact O-N 3.39Å; M286-L289 HydrophobicContact SD-CD2 4.06Å; M286-A290 WeakPolarHBondContact O-CB 2.93Å; M286-A290 PolarHBondContact O-N 2.81Å
287A94.6Very high84.5Confident0 Ų032.9 Ų32.90%017%0.166CC..Hα-helixtrans-65.2-43.8173.100000111.4A283 D284 L289 A290 Y291 H319 V322 F323A283-A287 WeakPolarHBondContact O-CB 3.49Å; A283-A287 PolarHBondContact O-N 3.1Å; D284-A287 PolarHBondContact O-N 3.02Å; A287-L289 PolarHBondContact O-N 2.92Å; A287-A290 PolarHBondContact O-N 3.16Å; A287-Y291 PolarHBondContact O-N 3.29Å; A287-H319 HydrophobicContact CB-CB 4.02Å; A287-V322 HydrophobicContact CB-CB 4.09Å; A287-V322 HydrophobicContact CB-CG1 3.98Å; A287-F323 VanDerWaalsContact C-CZ 3.49Å; A287-F323 HydrophobicContact CB-CD2 4.16Å; A287-F323 HydrophobicContact CB-CE2 3.75Å; A287-F323 HydrophobicContact CB-CZ 4Å; A287-F323 VanDerWaalsContact O-CE2 3.25Å; A287-F323 WeakPolarHBondContact O-CE2 3.24Å; A287-F323 VanDerWaalsContact O-CZ 3.24Å; A287-F323 WeakPolarHBondContact O-CZ 3.25Å
288S96.6Very high86.7Confident0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-57.3-48.8172.4-172.70000111.5L216 D284 S285 A290 Y291 L292L216-S288 WeakPolarHBondContact O-CB 3.4Å; L216-S288 PolarHBondContact O-OG 3.43Å; D284-S288 WeakPolarHBondContact O-CB 3.06Å; D284-S288 PolarHBondContact O-N 3.1Å; S285-S288 PolarHBondContact O-N 3.15Å; S288-A290 PolarHBondContact O-N 3.29Å; S288-Y291 WeakPolarHBondContact O-CB 3.31Å; S288-Y291 PolarHBondContact O-N 2.91Å; S288-L292 VanDerWaalsContact O-CG 3.24Å; S288-L292 WeakPolarHBondContact O-CG 3.21Å; S288-L292 PolarHBondContact O-N 2.85Å
289L95.6Very high88.4Confident0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-58.4-44.8176.2-178.960.8000112.6L216 I245 F255 I259 S285 M286 A287 Y291 L292 V293L216-L289 HydrophobicContact CD1-CB 4.13Å; L216-L289 HydrophobicContact CD1-CD1 4.36Å; L216-L289 HydrophobicContact CD1-CD2 4.36Å; L216-L289 HydrophobicContact CD2-CB 4.22Å; L216-L289 HydrophobicContact CD2-CD1 4.18Å; I245-L289 HydrophobicContact CD1-CD1 3.91Å; I245-L289 HydrophobicContact CG1-CD1 3.72Å; F255-L289 HydrophobicContact CB-CD1 4.18Å; F255-L289 HydrophobicContact CB-CD2 4.07Å; I259-L289 HydrophobicContact CD1-CG 4.31Å; I259-L289 HydrophobicContact CG1-CD2 4.25Å; I259-L289 HydrophobicContact CG1-CG 4.41Å; S285-L289 WeakPolarHBondContact O-CB 3.49Å; S285-L289 PolarHBondContact O-N 3.29Å; M286-L289 HydrophobicContact CE-CD2 3.91Å; M286-L289 PolarHBondContact O-N 3.39Å; M286-L289 HydrophobicContact SD-CD2 4.06Å; A287-L289 PolarHBondContact O-N 2.92Å; L289-Y291 VanDerWaalsContact C-N 3.34Å; L289-Y291 PolarHBondContact O-N 2.98Å; L289-L292 PolarHBondContact O-N 3.22Å; L289-V293 HydrophobicContact CD1-CG2 4.17Å; L289-V293 VanDerWaalsContact O-CG2 3.32Å; L289-V293 WeakPolarHBondContact O-CG2 3.49Å; L289-V293 PolarHBondContact O-N 2.98Å
290A94.5Very high89.7Confident0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-60.1-44.3177.100000111.4M286 A287 S288 V293 F294 H319 L338M286-A290 WeakPolarHBondContact O-CB 2.93Å; M286-A290 PolarHBondContact O-N 2.81Å; A287-A290 PolarHBondContact O-N 3.16Å; S288-A290 PolarHBondContact O-N 3.29Å; A290-V293 PolarHBondContact O-N 3.5Å; A290-F294 HydrophobicContact CB-CD2 4.21Å; A290-F294 HydrophobicContact CB-CE2 4.47Å; A290-F294 WeakPolarHBondContact O-CB 3.26Å; A290-F294 WeakPolarHBondContact O-CD2 3.28Å; A290-F294 PolarHBondContact O-N 2.9Å; A290-H319 HydrophobicContact CB-CB 4.13Å; A290-L338 HydrophobicContact CB-CD2 4.5Å
291Y96.5Very high90.9Very high3 Ų325.8 Ų25.81%0.01214%0.137CC..Hα-helixtrans-60.5-49.2174.8176.9-87.7000112.2F225 A287 S288 L289 V293 V295 Q296 F323 K334 E337 L338F225-Y291 AromaticContact CD2-CE1 3.86Å; F225-Y291 HydrophobicContact CD2-CE1 3.86Å; F225-Y291 HydrophobicContact CE2-CD1 4.46Å; F225-Y291 AromaticContact CE2-CE1 3.91Å; F225-Y291 HydrophobicContact CE2-CE1 3.91Å; A287-Y291 PolarHBondContact O-N 3.29Å; S288-Y291 WeakPolarHBondContact O-CB 3.31Å; S288-Y291 PolarHBondContact O-N 2.91Å; L289-Y291 VanDerWaalsContact C-N 3.34Å; L289-Y291 PolarHBondContact O-N 2.98Å; Y291-V293 VanDerWaalsContact C-N 3.25Å; Y291-V293 PolarHBondContact O-N 3.17Å; Y291-V295 HydrophobicContact CD2-CB 3.92Å; Y291-V295 HydrophobicContact CD2-CG1 4.27Å; Y291-V295 HydrophobicContact CD2-CG2 3.69Å; Y291-V295 HydrophobicContact CE2-CB 3.79Å; Y291-V295 HydrophobicContact CE2-CG1 3.63Å; Y291-V295 HydrophobicContact CE2-CG2 3.86Å; Y291-V295 HydrophobicContact CG-CB 4.35Å; Y291-V295 HydrophobicContact CG-CG2 4.39Å; Y291-V295 WeakPolarHBondContact O-CA 3.43Å; Y291-V295 VanDerWaalsContact O-CB 3.26Å; Y291-V295 WeakPolarHBondContact O-CB 3.31Å; Y291-V295 PolarHBondContact O-N 3.3Å; Y291-Q296 HydrophobicContact CD1-CG 4.15Å; Y291-Q296 HydrophobicContact CE1-CG 3.57Å; Y291-Q296 PolarHBondContact O-N 3.41Å; Y291-Q296 PolarHBondContact OH-NE2 2.86Å; Y291-F323 HydrophobicContact CG-CZ 4.5Å; Y291-K334 HydrophobicContact CD1-CD 4.44Å; Y291-K334 HydrophobicContact CD1-CG 4.5Å; Y291-K334 HydrophobicContact CD2-CB 3.65Å; Y291-K334 HydrophobicContact CD2-CG 4.09Å; Y291-K334 WeakPolarHBondContact CD2-O 3.31Å; Y291-K334 HydrophobicContact CE1-CD 4.22Å; Y291-K334 HydrophobicContact CE1-CG 4.09Å; Y291-K334 HydrophobicContact CE2-CB 3.57Å; Y291-K334 HydrophobicContact CE2-CG 3.64Å; Y291-K334 HydrophobicContact CG-CB 4.25Å; Y291-K334 HydrophobicContact CG-CG 4.5Å; Y291-E337 HydrophobicContact CE2-CB 4.34Å; Y291-E337 VanDerWaalsContact CE2-OE2 3.27Å; Y291-E337 WeakPolarHBondContact CE2-OE2 3.31Å; Y291-E337 PolarHBondContact OH-OE2 3.31Å; Y291-L338 HydrophobicContact CD2-CB 4.43Å
292L95.9Very high91.8Very high0 Ų025.5 Ų25.50%014%0.136CC..Hα-helixtrans-59.7-36.2-179-67.3168000112.6L216 L220 F225 A241 I245 S288 L289 Q296 G297 I298L216-L292 HydrophobicContact CD2-CD1 3.68Å; L220-L292 HydrophobicContact CB-CD1 4.33Å; L220-L292 HydrophobicContact CD1-CD1 4Å; F225-L292 HydrophobicContact CE1-CD2 3.93Å; F225-L292 HydrophobicContact CE2-CD2 3.74Å; F225-L292 HydrophobicContact CZ-CD2 3.23Å; A241-L292 HydrophobicContact CB-CD1 3.95Å; A241-L292 HydrophobicContact CB-CD2 3.85Å; A241-L292 HydrophobicContact CB-CG 4.45Å; I245-L292 HydrophobicContact CD1-CB 4.14Å; I245-L292 HydrophobicContact CD1-CD1 4.4Å; S288-L292 VanDerWaalsContact O-CG 3.24Å; S288-L292 WeakPolarHBondContact O-CG 3.21Å; S288-L292 PolarHBondContact O-N 2.85Å; L289-L292 PolarHBondContact O-N 3.22Å; L292-Q296 CarbonylContact O-C 3.38Å; L292-Q296 VanDerWaalsContact O-CB 3.32Å; L292-Q296 WeakPolarHBondContact O-CB 3.34Å; L292-G297 PolarHBondContact O-N 3.18Å; L292-I298 HydrophobicContact CB-CD1 4.34Å; L292-I298 HydrophobicContact CD2-CD1 4.04Å; L292-I298 WeakPolarHBondContact O-CB 3.36Å; L292-I298 PolarHBondContact O-N 2.82Å
293V93.6Very high91.9Very high0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-79.3-54.9179.5171.70000111.2F255 I259 L289 A290 Y291 G297 L303F255-V293 HydrophobicContact CD2-CG1 4.49Å; F255-V293 HydrophobicContact CD2-CG2 3.65Å; F255-V293 HydrophobicContact CE2-CB 4.28Å; F255-V293 HydrophobicContact CE2-CG1 3.74Å; F255-V293 HydrophobicContact CE2-CG2 3.48Å; F255-V293 VanDerWaalsContact CE2-CG2 3.48Å; F255-V293 HydrophobicContact CZ-CG2 4.36Å; I259-V293 HydrophobicContact CD1-CB 4.41Å; I259-V293 HydrophobicContact CD1-CG1 4.48Å; I259-V293 HydrophobicContact CD1-CG2 4.23Å; L289-V293 HydrophobicContact CD1-CG2 4.17Å; L289-V293 VanDerWaalsContact O-CG2 3.32Å; L289-V293 WeakPolarHBondContact O-CG2 3.49Å; L289-V293 PolarHBondContact O-N 2.98Å; A290-V293 PolarHBondContact O-N 3.5Å; Y291-V293 VanDerWaalsContact C-N 3.25Å; Y291-V293 PolarHBondContact O-N 3.17Å; V293-G297 VanDerWaalsContact O-CA 3.25Å; V293-G297 WeakPolarHBondContact O-CA 3.48Å; V293-G297 PolarHBondContact O-N 3.17Å; V293-L303 HydrophobicContact CG1-CD1 3.9Å; V293-L303 HydrophobicContact CG1-CD2 4.33Å
294F92.6Very high91.6Very high36 Ų3627.5 Ų27.516%0.15815%0.148CC..Hα-helixtrans-85.3-24.5-167.9-65.6-64.9000114.3I259 A290 L303 L312 N316 L338I259-F294 HydrophobicContact CD1-CE2 4.13Å; I259-F294 HydrophobicContact CG2-CE2 3.95Å; I259-F294 HydrophobicContact CG2-CZ 4.17Å; A290-F294 HydrophobicContact CB-CD2 4.21Å; A290-F294 HydrophobicContact CB-CE2 4.47Å; A290-F294 WeakPolarHBondContact O-CB 3.26Å; A290-F294 WeakPolarHBondContact O-CD2 3.28Å; A290-F294 PolarHBondContact O-N 2.9Å; F294-L303 HydrophobicContact CD1-CD2 4.39Å; F294-L303 HydrophobicContact CE1-CD2 3.37Å; F294-L303 HydrophobicContact CZ-CD2 3.72Å; F294-L312 HydrophobicContact CE1-CD2 3.7Å; F294-L312 HydrophobicContact CZ-CD2 4.04Å; F294-N316 WeakPolarHBondContact CD2-ND2 3.46Å; F294-N316 WeakPolarHBondContact CD2-OD1 3.49Å; F294-N316 VanDerWaalsContact CE2-OD1 3.31Å; F294-N316 WeakPolarHBondContact CE2-OD1 3.14Å; F294-L338 HydrophobicContact CB-CD1 3.99Å
295V94.2Very high90.6Very high26 Ų2635.9 Ų35.916%0.15819%0.189CC..THydrogen-bonded Turntrans-101-52.8177.7179.70000110.4Y291 G297 E337 L338Y291-V295 HydrophobicContact CD2-CB 3.92Å; Y291-V295 HydrophobicContact CD2-CG1 4.27Å; Y291-V295 HydrophobicContact CD2-CG2 3.69Å; Y291-V295 HydrophobicContact CE2-CB 3.79Å; Y291-V295 HydrophobicContact CE2-CG1 3.63Å; Y291-V295 HydrophobicContact CE2-CG2 3.86Å; Y291-V295 HydrophobicContact CG-CB 4.35Å; Y291-V295 HydrophobicContact CG-CG2 4.39Å; Y291-V295 WeakPolarHBondContact O-CA 3.43Å; Y291-V295 VanDerWaalsContact O-CB 3.26Å; Y291-V295 WeakPolarHBondContact O-CB 3.31Å; Y291-V295 PolarHBondContact O-N 3.3Å; V295-G297 VanDerWaalsContact C-N 3.3Å; V295-G297 PolarHBondContact O-N 2.87Å; V295-E337 HydrophobicContact CG1-CG 3.81Å; V295-E337 VanDerWaalsContact CG1-OE1 3.23Å; V295-E337 WeakPolarHBondContact CG1-OE1 3.46Å; V295-L338 HydrophobicContact CG2-CB 4.05Å; V295-L338 HydrophobicContact CG2-CD1 3.69Å; V295-L338 HydrophobicContact CG2-CG 4.49Å
296Q92.8Very high89.4Confident26 Ų2642.4 Ų42.412%0.12123%0.229CC..THydrogen-bonded Turntrans-81.6-8.2-176.9-60-62-35.400113.9F225 R238 Y291 L292 I298F225-Q296 HydrophobicContact CB-CG 4.48Å; F225-Q296 HydrophobicContact CD1-CG 4.44Å; F225-Q296 HydrophobicContact CD2-CG 3.88Å; F225-Q296 HydrophobicContact CE2-CG 4.3Å; F225-Q296 HydrophobicContact CG-CG 3.98Å; R238-Q296 PolarHBondContact NH2-O 3.5Å; Y291-Q296 HydrophobicContact CD1-CG 4.15Å; Y291-Q296 HydrophobicContact CE1-CG 3.57Å; Y291-Q296 PolarHBondContact O-N 3.41Å; Y291-Q296 PolarHBondContact OH-NE2 2.86Å; L292-Q296 CarbonylContact O-C 3.38Å; L292-Q296 VanDerWaalsContact O-CB 3.32Å; L292-Q296 WeakPolarHBondContact O-CB 3.34Å; Q296-I298 HydrophobicContact CB-CD1 4.13Å; Q296-I298 HydrophobicContact CB-CG1 3.96Å; Q296-I298 PolarHBondContact O-N 3.43Å
297G91.3Very high88.8Confident29 Ų2944.6 Ų44.630%0.29924%0.24SC..  trans66.319.5177.100000114L292 V293 V295 R299 I300L292-G297 PolarHBondContact O-N 3.18Å; V293-G297 VanDerWaalsContact O-CA 3.25Å; V293-G297 WeakPolarHBondContact O-CA 3.48Å; V293-G297 PolarHBondContact O-N 3.17Å; V295-G297 VanDerWaalsContact C-N 3.3Å; V295-G297 PolarHBondContact O-N 2.87Å; G297-R299 PolarHBondContact O-N 3.28Å; G297-I300 WeakPolarHBondContact O-CG2 3.27Å
298I91.8Very high88.6Confident8 Ų847.4 Ų47.44%0.04126%0.26CS..THydrogen-bonded Turntrans-72.5121.3-176.1-58.6178.2000109.3R238 A241 I245 L292 Q296 I300R238-I298 HydrophobicContact CG-CD1 3.9Å; R238-I298 HydrophobicContact CG-CG1 4.26Å; A241-I298 HydrophobicContact CB-CD1 3.64Å; I245-I298 HydrophobicContact CD1-CB 4.29Å; I245-I298 HydrophobicContact CD1-CG2 3.85Å; L292-I298 HydrophobicContact CB-CD1 4.34Å; L292-I298 HydrophobicContact CD2-CD1 4.04Å; L292-I298 WeakPolarHBondContact O-CB 3.36Å; L292-I298 PolarHBondContact O-N 2.82Å; Q296-I298 HydrophobicContact CB-CD1 4.13Å; Q296-I298 HydrophobicContact CB-CG1 3.96Å; Q296-I298 PolarHBondContact O-N 3.43Å; I298-I300 PolarHBondContact O-N 2.88Å; I298-I300 VanDerWaalsContact O-N 3.1Å
299R87.6Confident88.3Confident66 Ų6649.9 Ų49.925%0.24928%0.276CS..THydrogen-bonded Turntrans5425.1-178.6-63.9-178.1178.6-113.50.8114.1S242 I245 G246 F255 G297 D301 Q302S242-R299 PolarHBondContact O-NE 3.33Å; S242-R299 PolarHBondContact O-NH2 3.31Å; I245-R299 HydrophobicContact CG2-CB 4.41Å; G246-R299 VanDerWaalsContact CA-NH2 3.25Å; F255-R299 HydrophobicContact CE1-CB 4.05Å; F255-R299 HydrophobicContact CZ-CB 4.25Å; F255-R299 VanDerWaalsContact CZ-O 3.27Å; F255-R299 WeakPolarHBondContact CZ-O 3.36Å; G297-R299 PolarHBondContact O-N 3.28Å; R299-D301 VanDerWaalsContact CA-OD1 3.24Å; R299-D301 WeakPolarHBondContact CA-OD1 3.41Å; R299-D301 PolarHBondContact O-N 2.95Å; R299-D301 VanDerWaalsContact O-N 3.1Å; R299-Q302 PolarHBondContact O-N 3.38Å; R299-Q302 VanDerWaalsContact O-N 3.07Å
300I87.8Confident88.2Confident80 Ų8051.9 Ų51.941%0.4129%0.286SS..G310 helixtrans-61.6-21.3-177.5-163.2169.4000112.6G297 I298 Q302 L303G297-I300 WeakPolarHBondContact O-CG2 3.27Å; I298-I300 PolarHBondContact O-N 2.88Å; I298-I300 VanDerWaalsContact O-N 3.1Å; I300-Q302 PolarHBondContact O-N 3.41Å; I300-Q302 VanDerWaalsContact O-N 3.16Å; I300-L303 WeakPolarHBondContact O-CB 3.44Å; I300-L303 PolarHBondContact O-N 3.06Å
301D87.9Confident87.9Confident128 Ų12855.7 Ų55.768%0.68430%0.301SS*.G310 helixtrans-58.3-21.6173.557.8-71.7000113.9R299 L303R299-D301 VanDerWaalsContact CA-OD1 3.24Å; R299-D301 WeakPolarHBondContact CA-OD1 3.41Å; R299-D301 PolarHBondContact O-N 2.95Å; R299-D301 VanDerWaalsContact O-N 3.1Å; D301-L303 VanDerWaalsContact C-N 3.33Å
302Q86.4Confident87.7Confident73 Ų7357.5 Ų57.534%0.34131%0.311SS..G310 helixtrans-83.1-9.1177.2-53.9-171.19.400113.3S249 F255 R299 I300S249-Q302 PolarHBondContact OG-OE1 3.17Å; F255-Q302 HydrophobicContact CE1-CB 3.81Å; F255-Q302 HydrophobicContact CE1-CG 4.23Å; F255-Q302 HydrophobicContact CZ-CB 3.91Å; R299-Q302 PolarHBondContact O-N 3.38Å; R299-Q302 VanDerWaalsContact O-N 3.07Å; I300-Q302 PolarHBondContact O-N 3.41Å; I300-Q302 VanDerWaalsContact O-N 3.16Å
303L85.1Confident87.6Confident17 Ų1757.5 Ų57.59%0.08931%0.311CS..SBendtrans-80.9146.3175.2-98.973.5000111.5F255 P256 F260 V293 F294 I300 D301 M305 L307F255-L303 HydrophobicContact CD2-CD1 4.11Å; F255-L303 HydrophobicContact CE2-CD1 3.1Å; F255-L303 HydrophobicContact CZ-CD1 3.51Å; P256-L303 HydrophobicContact CB-CD1 4.48Å; P256-L303 HydrophobicContact CG-CD1 4.07Å; F260-L303 HydrophobicContact CZ-CD2 4.23Å; V293-L303 HydrophobicContact CG1-CD1 3.9Å; V293-L303 HydrophobicContact CG1-CD2 4.33Å; F294-L303 HydrophobicContact CD1-CD2 4.39Å; F294-L303 HydrophobicContact CE1-CD2 3.37Å; F294-L303 HydrophobicContact CZ-CD2 3.72Å; I300-L303 WeakPolarHBondContact O-CB 3.44Å; I300-L303 PolarHBondContact O-N 3.06Å; D301-L303 VanDerWaalsContact C-N 3.33Å; L303-M305 PolarHBondContact O-N 3.28Å; L303-L307 HydrophobicContact CD2-CD1 4.27Å
304P82.3Confident87.4Confident73 Ų7361 Ų6147%0.47433%0.327SS..  trans-59.7126.9170-21.432.7000111.6V306 L307P304-V306 PolarHBondContact O-N 2.89Å; P304-V306 VanDerWaalsContact O-N 3.14Å; P304-L307 HydrophobicContact CB-CG 4.48Å; P304-L307 WeakPolarHBondContact O-CD1 3.45Å; P304-L307 WeakPolarHBondContact O-CG 3.39Å
305M71.4Confident87.2Confident181 Ų18161 Ų6189%0.89233%0.327SS*.THydrogen-bonded Turntrans-70.7-3-179.4-74.1-67.9-6900115.1L303L303-M305 PolarHBondContact O-N 3.28Å
306V67.5Low87.1Confident141 Ų14159.9 Ų59.986%0.85532%0.32SS*.THydrogen-bonded Turntrans-98.514.4-171.7-163.90000112.4P304P304-V306 PolarHBondContact O-N 2.89Å; P304-V306 VanDerWaalsContact O-N 3.14Å
307L78.3Confident87.2Confident49 Ų4958.6 Ų58.626%0.25732%0.315SS..  trans-81.6124.7-173.7-63.1171.6000111.6F260 L303 P304 Y311 L312F260-L307 HydrophobicContact CE1-CD1 4.15Å; F260-L307 HydrophobicContact CE2-CD1 4.31Å; F260-L307 HydrophobicContact CZ-CD1 3.48Å; F260-L307 VanDerWaalsContact CZ-CD1 3.48Å; L303-L307 HydrophobicContact CD2-CD1 4.27Å; P304-L307 HydrophobicContact CB-CG 4.48Å; P304-L307 WeakPolarHBondContact O-CD1 3.45Å; P304-L307 WeakPolarHBondContact O-CG 3.39Å; L307-Y311 HydrophobicContact CD2-CD1 3.78Å; L307-Y311 HydrophobicContact CD2-CE1 3.81Å; L307-L312 HydrophobicContact CB-CD1 4.29Å; L307-L312 HydrophobicContact CB-CD2 4.01Å; L307-L312 HydrophobicContact CB-CG 4.06Å; L307-L312 HydrophobicContact CD1-CD2 3.77Å; L307-L312 HydrophobicContact CG-CD2 4.47Å
308S90.1Very high87.3Confident59 Ų5958.6 Ų58.641%0.41332%0.315SS..  trans-66.9141173.3171.90000111L310 Y311 L312S308-L310 PolarHBondContact O-N 3.31Å; S308-L310 PolarHBondContact OG-N 3.4Å; S308-Y311 WeakPolarHBondContact O-CA 3.44Å; S308-Y311 VanDerWaalsContact O-CB 3.31Å; S308-Y311 WeakPolarHBondContact O-CB 3.26Å; S308-Y311 PolarHBondContact O-N 2.75Å; S308-L312 PolarHBondContact O-N 3.48Å; S308-L312 VanDerWaalsContact O-N 3.07Å
309P91.7Very high87.4Confident52 Ų5258.5 Ų58.534%0.33831%0.314SS..Hα-helixtrans-53.3-36.3174.2-27.935.7000113.8Y311 L312 L313 R345 I346P309-Y311 VanDerWaalsContact C-N 3.35Å; P309-L312 PolarHBondContact O-N 2.97Å; P309-L313 WeakPolarHBondContact O-CB 3.16Å; P309-L313 PolarHBondContact O-N 2.74Å; P309-R345 HydrophobicContact CB-CB 3.83Å; P309-R345 HydrophobicContact CG-CB 4.09Å; P309-I346 HydrophobicContact CB-CG1 4.07Å
310L92.5Very high87.9Confident43 Ų4355.3 Ų55.323%0.22530%0.302CS..Hα-helixtrans-66-38.1176.7-74.1166.5000112.2S308 Q314 I346 L351S308-L310 PolarHBondContact O-N 3.31Å; S308-L310 PolarHBondContact OG-N 3.4Å; L310-Q314 PolarHBondContact O-N 2.91Å; L310-Q314 VanDerWaalsContact O-N 3.09Å; L310-I346 HydrophobicContact CD2-CD1 4.31Å; L310-I346 HydrophobicContact CD2-CG2 4.23Å; L310-L351 HydrophobicContact CD2-CD1 3.72Å
311Y89.5Confident88.3Confident79 Ų7953 Ų5331%0.3129%0.289SS..Hα-helixtrans-63.4-50.9175-172.7-95000109.5F260 L307 S308 P309 L313 Q314 F315F260-Y311 AromaticContact CD1-CE1 3.91Å; F260-Y311 HydrophobicContact CD1-CE1 3.91Å; F260-Y311 HydrophobicContact CE1-CD1 4.49Å; F260-Y311 AromaticContact CE1-CE1 3.85Å; F260-Y311 HydrophobicContact CE1-CE1 3.85Å; L307-Y311 HydrophobicContact CD2-CD1 3.78Å; L307-Y311 HydrophobicContact CD2-CE1 3.81Å; S308-Y311 WeakPolarHBondContact O-CA 3.44Å; S308-Y311 VanDerWaalsContact O-CB 3.31Å; S308-Y311 WeakPolarHBondContact O-CB 3.26Å; S308-Y311 PolarHBondContact O-N 2.75Å; P309-Y311 VanDerWaalsContact C-N 3.35Å; Y311-L313 PolarHBondContact O-N 2.7Å; Y311-Q314 WeakPolarHBondContact O-CB 3.36Å; Y311-Q314 PolarHBondContact O-N 3.37Å; Y311-Q314 VanDerWaalsContact O-N 3.13Å; Y311-F315 AromaticContact CD1-CD2 3.75Å; Y311-F315 HydrophobicContact CD1-CD2 3.75Å; Y311-F315 AromaticContact CD1-CE2 3.55Å; Y311-F315 HydrophobicContact CD1-CE2 3.55Å; Y311-F315 AromaticContact CD2-CE2 3.83Å; Y311-F315 HydrophobicContact CD2-CE2 3.83Å; Y311-F315 AromaticContact CE1-CD2 3.62Å; Y311-F315 HydrophobicContact CE1-CD2 3.62Å; Y311-F315 AromaticContact CE1-CE2 3.12Å; Y311-F315 HydrophobicContact CE1-CE2 3.12Å; Y311-F315 AromaticContact CE1-CZ 3.91Å; Y311-F315 HydrophobicContact CE1-CZ 3.91Å; Y311-F315 AromaticContact CE2-CE2 3.45Å; Y311-F315 HydrophobicContact CE2-CE2 3.45Å; Y311-F315 VanDerWaalsContact CE2-CE2 3.45Å; Y311-F315 AromaticContact CE2-CZ 4Å; Y311-F315 HydrophobicContact CE2-CZ 4Å; Y311-F315 HydrophobicContact CG-CD2 4.27Å; Y311-F315 AromaticContact CG-CE2 3.9Å; Y311-F315 HydrophobicContact CG-CE2 3.9Å; Y311-F315 AromaticContact CZ-CE2 3.07Å; Y311-F315 AromaticContact CZ-CZ 3.52Å; Y311-F315 WeakPolarHBondContact O-CD2 3.44Å; Y311-F315 PolarHBondContact O-N 3.32Å; Y311-F315 WeakPolarHBondContact OH-CE2 3.33Å; Y311-F315 WeakPolarHBondContact OH-CZ 3.46Å
312L90.6Very high88.6Confident41 Ų4148 Ų4822%0.21526%0.264CS..Hα-helixtrans-59.2-43.1178.9-65.9177.1000112.7F294 L307 S308 P309 Q314 F315 N316F294-L312 HydrophobicContact CE1-CD2 3.7Å; F294-L312 HydrophobicContact CZ-CD2 4.04Å; L307-L312 HydrophobicContact CB-CD1 4.29Å; L307-L312 HydrophobicContact CB-CD2 4.01Å; L307-L312 HydrophobicContact CB-CG 4.06Å; L307-L312 HydrophobicContact CD1-CD2 3.77Å; L307-L312 HydrophobicContact CG-CD2 4.47Å; S308-L312 PolarHBondContact O-N 3.48Å; S308-L312 VanDerWaalsContact O-N 3.07Å; P309-L312 PolarHBondContact O-N 2.97Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 3.49Å; L312-F315 PolarHBondContact O-N 3.25Å; L312-N316 WeakPolarHBondContact O-CB 3.41Å; L312-N316 PolarHBondContact O-N 3.14Å
313L93.8Very high89.2Confident1 Ų144.6 Ų44.61%0.00525%0.247CC..Hα-helixtrans-57.2-47.3174.9177.768.3000110.9P309 Y311 F315 N316 M317 L343 I346 L351 F361P309-L313 WeakPolarHBondContact O-CB 3.16Å; P309-L313 PolarHBondContact O-N 2.74Å; Y311-L313 PolarHBondContact O-N 2.7Å; L313-F315 VanDerWaalsContact C-N 3.29Å; L313-F315 PolarHBondContact O-N 2.97Å; L313-N316 PolarHBondContact O-N 3.21Å; L313-M317 HydrophobicContact CD1-CE 4.25Å; L313-M317 HydrophobicContact CD1-CG 4.01Å; L313-M317 HydrophobicContact CD1-SD 4.11Å; L313-M317 HydrophobicContact CG-CG 4.14Å; L313-M317 VanDerWaalsContact O-CG 3.26Å; L313-M317 WeakPolarHBondContact O-CG 3.48Å; L313-M317 PolarHBondContact O-N 2.8Å; L313-L343 HydrophobicContact CD1-CD2 4.06Å; L313-L343 HydrophobicContact CD2-CD2 4.11Å; L313-I346 HydrophobicContact CB-CD1 3.9Å; L313-I346 HydrophobicContact CD2-CD1 3.34Å; L313-I346 HydrophobicContact CG-CD1 4.1Å; L313-L351 HydrophobicContact CD2-CD1 3.99Å; L313-L351 HydrophobicContact CD2-CD2 4.05Å; L313-F361 HydrophobicContact CD2-CE1 3.87Å; L313-F361 HydrophobicContact CD2-CZ 4.29Å; L313-F361 HydrophobicContact CG-CE1 4.19Å; L313-F361 HydrophobicContact CG-CZ 4.17Å
314Q91.2Very high89.8Confident73 Ų7344.2 Ų44.234%0.34125%0.245SC..Hα-helixtrans-56.5-41.4-179.3-171.8-177.5-2.400112.9L310 Y311 L312 Y355 I358 F361L310-Q314 PolarHBondContact O-N 2.91Å; L310-Q314 VanDerWaalsContact O-N 3.09Å; Y311-Q314 WeakPolarHBondContact O-CB 3.36Å; Y311-Q314 PolarHBondContact O-N 3.37Å; Y311-Q314 VanDerWaalsContact O-N 3.13Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 3.49Å; Q314-Y355 HydrophobicContact CB-CE1 4.12Å; Q314-Y355 HydrophobicContact CG-CD1 4.46Å; Q314-Y355 HydrophobicContact CG-CE1 4.23Å; Q314-I358 HydrophobicContact CG-CD1 3.65Å; Q314-I358 VanDerWaalsContact NE2-CD1 3.26Å; Q314-F361 HydrophobicContact CB-CE2 4.43Å; Q314-F361 HydrophobicContact CB-CZ 4.28Å; Q314-F361 HydrophobicContact CG-CE2 4.24Å
315F87.4Confident90.4Very high36 Ų3647.2 Ų47.216%0.15825%0.253CS..Hα-helixtrans-70.7-46.7175.5-73.8-81.6000111.8F260 Y311 L312 L313 M317F260-F315 HydrophobicContact CB-CE1 4.49Å; F260-F315 HydrophobicContact CD1-CD1 4.24Å; F260-F315 HydrophobicContact CD1-CD2 4.19Å; F260-F315 HydrophobicContact CD1-CE1 4.29Å; F260-F315 HydrophobicContact CD1-CE2 4.35Å; F260-F315 HydrophobicContact CD1-CG 4.21Å; F260-F315 HydrophobicContact CD1-CZ 4.38Å; F260-F315 HydrophobicContact CE1-CD2 4.49Å; F260-F315 WeakPolarHBondContact O-CE1 3.46Å; Y311-F315 AromaticContact CD1-CD2 3.75Å; Y311-F315 HydrophobicContact CD1-CD2 3.75Å; Y311-F315 AromaticContact CD1-CE2 3.55Å; Y311-F315 HydrophobicContact CD1-CE2 3.55Å; Y311-F315 AromaticContact CD2-CE2 3.83Å; Y311-F315 HydrophobicContact CD2-CE2 3.83Å; Y311-F315 AromaticContact CE1-CD2 3.62Å; Y311-F315 HydrophobicContact CE1-CD2 3.62Å; Y311-F315 AromaticContact CE1-CE2 3.12Å; Y311-F315 HydrophobicContact CE1-CE2 3.12Å; Y311-F315 AromaticContact CE1-CZ 3.91Å; Y311-F315 HydrophobicContact CE1-CZ 3.91Å; Y311-F315 AromaticContact CE2-CE2 3.45Å; Y311-F315 HydrophobicContact CE2-CE2 3.45Å; Y311-F315 VanDerWaalsContact CE2-CE2 3.45Å; Y311-F315 AromaticContact CE2-CZ 4Å; Y311-F315 HydrophobicContact CE2-CZ 4Å; Y311-F315 HydrophobicContact CG-CD2 4.27Å; Y311-F315 AromaticContact CG-CE2 3.9Å; Y311-F315 HydrophobicContact CG-CE2 3.9Å; Y311-F315 AromaticContact CZ-CE2 3.07Å; Y311-F315 AromaticContact CZ-CZ 3.52Å; Y311-F315 WeakPolarHBondContact O-CD2 3.44Å; Y311-F315 PolarHBondContact O-N 3.32Å; Y311-F315 WeakPolarHBondContact OH-CE2 3.33Å; Y311-F315 WeakPolarHBondContact OH-CZ 3.46Å; L312-F315 PolarHBondContact O-N 3.25Å; L313-F315 VanDerWaalsContact C-N 3.29Å; L313-F315 PolarHBondContact O-N 2.97Å; F315-M317 VanDerWaalsContact C-N 3.27Å; F315-M317 PolarHBondContact O-N 3.14Å
316N93.4Very high91.5Very high2 Ų242.5 Ų42.51%0.01123%0.226CC..Hα-helixtrans-69.1-23.8-174.6-75-22.2000113.4F294 L312 L313 G318 H319 I320F294-N316 WeakPolarHBondContact CD2-ND2 3.46Å; F294-N316 WeakPolarHBondContact CD2-OD1 3.49Å; F294-N316 VanDerWaalsContact CE2-OD1 3.31Å; F294-N316 WeakPolarHBondContact CE2-OD1 3.14Å; L312-N316 WeakPolarHBondContact O-CB 3.41Å; L312-N316 PolarHBondContact O-N 3.14Å; L313-N316 PolarHBondContact O-N 3.21Å; N316-G318 VanDerWaalsContact C-N 3.26Å; N316-G318 PolarHBondContact O-N 3.35Å; N316-H319 WeakPolarHBondContact O-CA 3.06Å; N316-H319 WeakPolarHBondContact O-CB 3.4Å; N316-H319 PolarHBondContact O-N 3.48Å; N316-I320 HydrophobicContact CB-CD1 4.21Å; N316-I320 VanDerWaalsContact O-CG1 3.28Å; N316-I320 WeakPolarHBondContact O-CG1 3.47Å; N316-I320 PolarHBondContact O-N 3.45Å
317M94.8Very high92.8Very high0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-56.4-37.2179.2-81.7-62.1-137.400113.6L313 F315 I320 E321 L339 S360 F361 V364 Y391L313-M317 HydrophobicContact CD1-CE 4.25Å; L313-M317 HydrophobicContact CD1-CG 4.01Å; L313-M317 HydrophobicContact CD1-SD 4.11Å; L313-M317 HydrophobicContact CG-CG 4.14Å; L313-M317 VanDerWaalsContact O-CG 3.26Å; L313-M317 WeakPolarHBondContact O-CG 3.48Å; L313-M317 PolarHBondContact O-N 2.8Å; F315-M317 VanDerWaalsContact C-N 3.27Å; F315-M317 PolarHBondContact O-N 3.14Å; M317-I320 PolarHBondContact O-N 2.7Å; M317-I320 HydrophobicContact SD-CD1 4.24Å; M317-E321 PolarHBondContact O-N 3.16Å; M317-L339 HydrophobicContact SD-CD1 4.21Å; M317-S360 WeakPolarHBondContact CB-OG 3.35Å; M317-F361 HydrophobicContact CB-CD2 4.13Å; M317-F361 HydrophobicContact CB-CE2 3.87Å; M317-F361 HydrophobicContact CB-CZ 4.38Å; M317-F361 HydrophobicContact CE-CD1 3.62Å; M317-F361 HydrophobicContact CE-CE1 3.82Å; M317-F361 HydrophobicContact CE-CG 4Å; M317-F361 HydrophobicContact CE-CZ 4.4Å; M317-F361 HydrophobicContact CG-CD1 4.36Å; M317-F361 HydrophobicContact CG-CD2 3.94Å; M317-F361 HydrophobicContact CG-CE1 4.02Å; M317-F361 HydrophobicContact CG-CE2 3.6Å; M317-F361 HydrophobicContact CG-CG 4.33Å; M317-F361 HydrophobicContact CG-CZ 3.64Å; M317-V364 WeakPolarHBondContact O-CG2 3.45Å; M317-V364 HydrophobicContact SD-CB 4.15Å; M317-V364 HydrophobicContact SD-CG1 4.07Å; M317-V364 HydrophobicContact SD-CG2 3.98Å; M317-Y391 HydrophobicContact CE-CD2 4.07Å; M317-Y391 HydrophobicContact CE-CE2 3.25Å
318G92.1Very high93.6Very high29 Ų2943 Ų4330%0.29923%0.226SC..Hα-helixtrans-66.7-36.5175.100000112.8N316 V322N316-G318 VanDerWaalsContact C-N 3.26Å; N316-G318 PolarHBondContact O-N 3.35Å; G318-V322 WeakPolarHBondContact O-CG2 3.48Å; G318-V322 PolarHBondContact O-N 3.44Å
319H94Very high93.8Very high5 Ų545.4 Ų45.42%0.02323%0.23CC..Hα-helixtrans-73-38.1176.8-60.8-52.1000112.1H262 A287 A290 N316 E321 V322 F323 L338H262-H319 AromaticContact ND1-CE1 3.67Å; A287-H319 HydrophobicContact CB-CB 4.02Å; A290-H319 HydrophobicContact CB-CB 4.13Å; N316-H319 WeakPolarHBondContact O-CA 3.06Å; N316-H319 WeakPolarHBondContact O-CB 3.4Å; N316-H319 PolarHBondContact O-N 3.48Å; H319-E321 VanDerWaalsContact C-N 3.32Å; H319-E321 PolarHBondContact O-N 3.28Å; H319-V322 WeakPolarHBondContact O-CB 3.26Å; H319-V322 PolarHBondContact O-N 2.92Å; H319-F323 WeakPolarHBondContact O-CD2 3.49Å; H319-F323 PolarHBondContact O-N 3.44Å; H319-F323 VanDerWaalsContact O-N 3.12Å; H319-L338 HydrophobicContact CB-CD2 4.37Å
320I97.8Very high93.8Very high0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-61.6-42.4174.2-65.7160.4000110.1N316 M317 V322 F323 L324 L338 L339 V364N316-I320 HydrophobicContact CB-CD1 4.21Å; N316-I320 VanDerWaalsContact O-CG1 3.28Å; N316-I320 WeakPolarHBondContact O-CG1 3.47Å; N316-I320 PolarHBondContact O-N 3.45Å; M317-I320 PolarHBondContact O-N 2.7Å; M317-I320 HydrophobicContact SD-CD1 4.24Å; I320-V322 VanDerWaalsContact C-N 3.31Å; I320-V322 PolarHBondContact O-N 3.49Å; I320-F323 PolarHBondContact O-N 2.94Å; I320-L324 HydrophobicContact CG2-CD1 3.9Å; I320-L324 HydrophobicContact CG2-CG 4.23Å; I320-L324 WeakPolarHBondContact O-CG 3.39Å; I320-L324 PolarHBondContact O-N 2.76Å; I320-L338 HydrophobicContact CD1-CG 4.33Å; I320-L338 HydrophobicContact CG1-CB 4.29Å; I320-L338 HydrophobicContact CG1-CD2 3.85Å; I320-L338 HydrophobicContact CG1-CG 3.92Å; I320-L339 HydrophobicContact CD1-CB 3.94Å; I320-L339 HydrophobicContact CD1-CD1 3.88Å; I320-L339 HydrophobicContact CG1-CB 4.34Å; I320-L339 HydrophobicContact CG2-CB 3.99Å; I320-L339 HydrophobicContact CG2-CD1 4.42Å; I320-L339 HydrophobicContact CG2-CD2 4.46Å; I320-V364 HydrophobicContact CB-CG2 4.28Å; I320-V364 HydrophobicContact CG2-CG1 3.8Å; I320-V364 HydrophobicContact CG2-CG2 4Å
321E96.5Very high94Very high30 Ų3041.3 Ų41.314%0.1421%0.206CC..Hα-helixtrans-56.3-45.4174.2179.1176.8-154.900111.7M317 H319 F323 L324 Q325 T363 V364M317-E321 PolarHBondContact O-N 3.16Å; H319-E321 VanDerWaalsContact C-N 3.32Å; H319-E321 PolarHBondContact O-N 3.28Å; E321-F323 VanDerWaalsContact C-N 3.33Å; E321-F323 PolarHBondContact O-N 3.43Å; E321-L324 PolarHBondContact O-N 3.27Å; E321-Q325 VanDerWaalsContact O-CG 3.32Å; E321-Q325 WeakPolarHBondContact O-CG 3.25Å; E321-Q325 PolarHBondContact O-N 3.47Å; E321-Q325 VanDerWaalsContact O-N 3.11Å; E321-Q325 PolarHBondContact OE1-NE2 3.36Å; E321-T363 VanDerWaalsContact OE1-CB 3.25Å; E321-T363 WeakPolarHBondContact OE1-CB 3.48Å; E321-T363 PolarHBondContact OE1-OG1 3.48Å; E321-T363 PolarHBondContact OE2-OG1 2.89Å; E321-V364 HydrophobicContact CB-CG2 3.91Å
322V95.1Very high94.4Very high25 Ų2537.8 Ų37.815%0.15219%0.193CC..Hα-helixtrans-59.2-43.5177.21740000111.4A283 D284 A287 G318 H319 I320 R326A283-V322 HydrophobicContact CB-CG2 4.1Å; D284-V322 WeakPolarHBondContact OD1-CG1 3.47Å; A287-V322 HydrophobicContact CB-CB 4.09Å; A287-V322 HydrophobicContact CB-CG1 3.98Å; G318-V322 WeakPolarHBondContact O-CG2 3.48Å; G318-V322 PolarHBondContact O-N 3.44Å; H319-V322 WeakPolarHBondContact O-CB 3.26Å; H319-V322 PolarHBondContact O-N 2.92Å; I320-V322 VanDerWaalsContact C-N 3.31Å; I320-V322 PolarHBondContact O-N 3.49Å; V322-R326 WeakPolarHBondContact O-CG 3.35Å
323F97.6Very high94.7Very high0 Ų037.4 Ų37.40%019%0.194CC..Hα-helixtrans-64.3-42.4176.6-76-67.5000113L221 A287 Y291 H319 I320 E321 Q325 R326 V331 K334 L338L221-F323 HydrophobicContact CD1-CD1 4.21Å; L221-F323 HydrophobicContact CD1-CE1 3.45Å; L221-F323 VanDerWaalsContact CD1-CE1 3.45Å; L221-F323 HydrophobicContact CD1-CZ 4.09Å; A287-F323 VanDerWaalsContact C-CZ 3.49Å; A287-F323 HydrophobicContact CB-CD2 4.16Å; A287-F323 HydrophobicContact CB-CE2 3.75Å; A287-F323 HydrophobicContact CB-CZ 4Å; A287-F323 VanDerWaalsContact O-CE2 3.25Å; A287-F323 WeakPolarHBondContact O-CE2 3.24Å; A287-F323 VanDerWaalsContact O-CZ 3.24Å; A287-F323 WeakPolarHBondContact O-CZ 3.25Å; Y291-F323 HydrophobicContact CG-CZ 4.5Å; H319-F323 WeakPolarHBondContact O-CD2 3.49Å; H319-F323 PolarHBondContact O-N 3.44Å; H319-F323 VanDerWaalsContact O-N 3.12Å; I320-F323 PolarHBondContact O-N 2.94Å; E321-F323 VanDerWaalsContact C-N 3.33Å; E321-F323 PolarHBondContact O-N 3.43Å; F323-Q325 VanDerWaalsContact C-N 3.28Å; F323-Q325 PolarHBondContact O-N 3.36Å; F323-R326 WeakPolarHBondContact O-CB 3.29Å; F323-R326 PolarHBondContact O-N 3.33Å; F323-V331 HydrophobicContact CD1-CG1 3.6Å; F323-V331 WeakPolarHBondContact CD1-O 3.27Å; F323-V331 HydrophobicContact CE1-CG1 4.21Å; F323-K334 HydrophobicContact CD1-CB 4.32Å; F323-K334 HydrophobicContact CE1-CB 4.04Å; F323-K334 HydrophobicContact CZ-CB 4.47Å; F323-L338 HydrophobicContact CD2-CD2 4.31Å; F323-L338 HydrophobicContact CE2-CD2 4Å
324L97.5Very high94.9Very high9 Ų937.3 Ų37.35%0.04719%0.193CC..Hα-helixtrans-76.4-13.1-176.5-63.6-179.9000113.7I320 E321 R326 L336 V364 L368 V371I320-L324 HydrophobicContact CG2-CD1 3.9Å; I320-L324 HydrophobicContact CG2-CG 4.23Å; I320-L324 WeakPolarHBondContact O-CG 3.39Å; I320-L324 PolarHBondContact O-N 2.76Å; E321-L324 PolarHBondContact O-N 3.27Å; L324-R326 VanDerWaalsContact C-N 3.28Å; L324-L336 HydrophobicContact CD2-CD2 4.04Å; L324-L336 HydrophobicContact CD2-CG 4.26Å; L324-V364 HydrophobicContact CD1-CG1 3.96Å; L324-L368 HydrophobicContact CD1-CD2 3.74Å; L324-L368 HydrophobicContact CD1-CG 4.03Å; L324-L368 HydrophobicContact CD2-CD2 4.26Å; L324-V371 HydrophobicContact CD2-CG2 4.25Å
325Q95Very high95.2Very high136 Ų13633.9 Ų33.964%0.63618%0.177SC*.THydrogen-bonded Turntrans-80.6-9.7172.2-73.8178.38.500113.2E321 F323E321-Q325 VanDerWaalsContact O-CG 3.32Å; E321-Q325 WeakPolarHBondContact O-CG 3.25Å; E321-Q325 PolarHBondContact O-N 3.47Å; E321-Q325 VanDerWaalsContact O-N 3.11Å; E321-Q325 PolarHBondContact OE1-NE2 3.36Å; F323-Q325 VanDerWaalsContact C-N 3.28Å; F323-Q325 PolarHBondContact O-N 3.36Å
326R95Very high95.8Very high83 Ų8332.1 Ų32.131%0.31317%0.17SC..  trans-86.7163.9-179-64.5-75.5175-177-5111.2D284 V322 F323 L324 E328 V331 I332D284-R326 IonicContact OD1-CZ 3.97Å; D284-R326 IonicContact OD1-NE 3.66Å; D284-R326 PolarHBondContact OD1-NE 2.84Å; D284-R326 IonicContact OD1-NH2 2.7Å; D284-R326 PolarHBondContact OD1-NH2 2.98Å; D284-R326 IonicContact OD2-CZ 2.8Å; D284-R326 IonicContact OD2-NH2 3.93Å; D284-R326 PolarHBondContact OD2-NH2 2.83Å; V322-R326 WeakPolarHBondContact O-CG 3.35Å; F323-R326 WeakPolarHBondContact O-CB 3.29Å; F323-R326 PolarHBondContact O-N 3.33Å; L324-R326 VanDerWaalsContact C-N 3.28Å; R326-E328 WeakPolarHBondContact CB-OE2 3.47Å; R326-V331 HydrophobicContact CB-CB 4.17Å; R326-V331 HydrophobicContact CB-CG1 3.67Å; R326-V331 HydrophobicContact CG-CG1 3.71Å; R326-I332 WeakPolarHBondContact O-CD1 3.45Å; R326-I332 WeakPolarHBondContact O-CG1 3.26Å
327T94.9Very high96Very high123 Ų12334.7 Ų34.776%0.75518%0.181SC*.  trans-113-17.8-177.254.70000112.6
328E94.1Very high96.1Very high77 Ų7734.7 Ų34.736%0.3618%0.182SC..  trans-67.4128.5178.9-5693144.700110.8R326 S330 V331 I332R326-E328 WeakPolarHBondContact CB-OE2 3.47Å; E328-S330 VanDerWaalsContact C-N 3.31Å; E328-S330 PolarHBondContact O-N 3.48Å; E328-V331 HydrophobicContact CB-CB 4.11Å; E328-V331 HydrophobicContact CB-CG2 3.75Å; E328-V331 HydrophobicContact CG-CG2 4.45Å; E328-V331 PolarHBondContact O-N 3.29Å; E328-V331 VanDerWaalsContact O-N 3.09Å; E328-I332 WeakPolarHBondContact O-CG1 3.24Å; E328-I332 PolarHBondContact O-N 3.28Å
329E94.4Very high96.4Very high109 Ų10933.3 Ų33.351%0.50917%0.167SC..Hα-helixtrans-53.3-47.6-178.2179-178.8-176.300112.2V331 I332 S333 I377 L380E329-V331 VanDerWaalsContact C-N 3.27Å; E329-V331 PolarHBondContact O-N 2.76Å; E329-I332 PolarHBondContact O-N 3.37Å; E329-S333 VanDerWaalsContact O-CB 3.31Å; E329-S333 WeakPolarHBondContact O-CB 3.46Å; E329-S333 PolarHBondContact O-N 2.89Å; E329-I377 HydrophobicContact CB-CG1 4.36Å; E329-I377 HydrophobicContact CG-CG1 4.05Å; E329-L380 HydrophobicContact CB-CD1 4.37Å; E329-L380 HydrophobicContact CG-CD1 3.76Å
330S93.2Very high96.6Very high9 Ų935.7 Ų35.76%0.06318%0.178CC..Hα-helixtrans-60-37.8-179.653.60000112.6T222 Q224 E328 K334T222-S330 VanDerWaalsContact O-CB 3.26Å; T222-S330 WeakPolarHBondContact O-CB 3.36Å; T222-S330 PolarHBondContact O-OG 3.15Å; Q224-S330 VanDerWaalsContact NE2-CB 3.25Å; Q224-S330 PolarHBondContact NE2-O 2.95Å; E328-S330 VanDerWaalsContact C-N 3.31Å; E328-S330 PolarHBondContact O-N 3.48Å; S330-K334 WeakPolarHBondContact O-CD 3.27Å; S330-K334 VanDerWaalsContact O-CG 3.24Å; S330-K334 WeakPolarHBondContact O-CG 3.49Å; S330-K334 PolarHBondContact O-N 3.18Å
331V96.7Very high96.5Very high0 Ų038.6 Ų38.60%019%0.194CC..Hα-helixtrans-78.1-43.6-175.7-1750000110.6L221 T222 F323 R326 E328 E329 S333 K334 G335L221-V331 HydrophobicContact CD1-CG1 4.42Å; L221-V331 HydrophobicContact CD2-CG1 4.43Å; L221-V331 HydrophobicContact CG-CG1 4.22Å; L221-V331 HydrophobicContact CG-CG2 4.27Å; T222-V331 HydrophobicContact CG2-CG2 3.77Å; F323-V331 HydrophobicContact CD1-CG1 3.6Å; F323-V331 WeakPolarHBondContact CD1-O 3.27Å; F323-V331 HydrophobicContact CE1-CG1 4.21Å; R326-V331 HydrophobicContact CB-CB 4.17Å; R326-V331 HydrophobicContact CB-CG1 3.67Å; R326-V331 HydrophobicContact CG-CG1 3.71Å; E328-V331 HydrophobicContact CB-CB 4.11Å; E328-V331 HydrophobicContact CB-CG2 3.75Å; E328-V331 HydrophobicContact CG-CG2 4.45Å; E328-V331 PolarHBondContact O-N 3.29Å; E328-V331 VanDerWaalsContact O-N 3.09Å; E329-V331 VanDerWaalsContact C-N 3.27Å; E329-V331 PolarHBondContact O-N 2.76Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-S333 PolarHBondContact O-N 3.21Å; V331-K334 PolarHBondContact O-N 3.01Å; V331-G335 PolarHBondContact O-N 3.02Å; V331-G335 VanDerWaalsContact O-N 3.1Å
332I97.8Very high96.5Very high6 Ų637.8 Ų37.83%0.03119%0.192CC..Hα-helixtrans-60.9-44.7173.9-64.7169000110.3R326 E328 E329 K334 G335 L336 V371 L380R326-I332 WeakPolarHBondContact O-CD1 3.45Å; R326-I332 WeakPolarHBondContact O-CG1 3.26Å; E328-I332 WeakPolarHBondContact O-CG1 3.24Å; E328-I332 PolarHBondContact O-N 3.28Å; E329-I332 PolarHBondContact O-N 3.37Å; I332-K334 VanDerWaalsContact C-N 3.3Å; I332-K334 PolarHBondContact O-N 3.1Å; I332-G335 PolarHBondContact O-N 3.15Å; I332-G335 VanDerWaalsContact O-N 3.13Å; I332-L336 HydrophobicContact CG2-CD1 4.03Å; I332-L336 HydrophobicContact CG2-CG 4.33Å; I332-L336 WeakPolarHBondContact O-CG 3.34Å; I332-L336 PolarHBondContact O-N 3.23Å; I332-V371 HydrophobicContact CG2-CG1 3.87Å; I332-V371 HydrophobicContact CG2-CG2 3.94Å; I332-L380 HydrophobicContact CB-CD1 4.16Å; I332-L380 HydrophobicContact CG2-CD1 4.04Å
333S97.2Very high96.6Very high32 Ų3236.6 Ų36.622%0.22418%0.184CC..Hα-helixtrans-55.1-46.1178.5-173.60000111.8E329 V331 G335 L336 E337E329-S333 VanDerWaalsContact O-CB 3.31Å; E329-S333 WeakPolarHBondContact O-CB 3.46Å; E329-S333 PolarHBondContact O-N 2.89Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-S333 PolarHBondContact O-N 3.21Å; S333-G335 PolarHBondContact O-N 3.35Å; S333-L336 PolarHBondContact O-N 3.13Å; S333-E337 WeakPolarHBondContact O-CB 3.48Å; S333-E337 PolarHBondContact O-N 3.11Å
334K97.4Very high96.5Very high0 Ų041.5 Ų41.50%021%0.21CC..Hα-helixtrans-64.1-38.8177.2-70.1170.869.8167.90112.9L220 L221 A223 Y291 F323 S330 V331 I332 E337 L338L220-K334 PolarHBondContact O-NZ 3.24Å; L221-K334 WeakPolarHBondContact O-CD 3.39Å; L221-K334 WeakPolarHBondContact O-CE 3.41Å; L221-K334 PolarHBondContact O-NZ 2.72Å; A223-K334 PolarHBondContact O-NZ 3.4Å; Y291-K334 HydrophobicContact CD1-CD 4.44Å; Y291-K334 HydrophobicContact CD1-CG 4.5Å; Y291-K334 HydrophobicContact CD2-CB 3.65Å; Y291-K334 HydrophobicContact CD2-CG 4.09Å; Y291-K334 WeakPolarHBondContact CD2-O 3.31Å; Y291-K334 HydrophobicContact CE1-CD 4.22Å; Y291-K334 HydrophobicContact CE1-CG 4.09Å; Y291-K334 HydrophobicContact CE2-CB 3.57Å; Y291-K334 HydrophobicContact CE2-CG 3.64Å; Y291-K334 HydrophobicContact CG-CB 4.25Å; Y291-K334 HydrophobicContact CG-CG 4.5Å; F323-K334 HydrophobicContact CD1-CB 4.32Å; F323-K334 HydrophobicContact CE1-CB 4.04Å; F323-K334 HydrophobicContact CZ-CB 4.47Å; S330-K334 WeakPolarHBondContact O-CD 3.27Å; S330-K334 VanDerWaalsContact O-CG 3.24Å; S330-K334 WeakPolarHBondContact O-CG 3.49Å; S330-K334 PolarHBondContact O-N 3.18Å; V331-K334 PolarHBondContact O-N 3.01Å; I332-K334 VanDerWaalsContact C-N 3.3Å; I332-K334 PolarHBondContact O-N 3.1Å; K334-E337 PolarHBondContact O-N 2.81Å; K334-L338 WeakPolarHBondContact O-CB 3.48Å; K334-L338 PolarHBondContact O-N 3.02Å
335G98.1Very high96.2Very high0 Ų050.6 Ų50.60%024%0.244CC..Hα-helixtrans-62-45.2173.700000112.9V331 I332 S333 L338 L339V331-G335 PolarHBondContact O-N 3.02Å; V331-G335 VanDerWaalsContact O-N 3.1Å; I332-G335 PolarHBondContact O-N 3.15Å; I332-G335 VanDerWaalsContact O-N 3.13Å; S333-G335 PolarHBondContact O-N 3.35Å; G335-L338 PolarHBondContact O-N 3.49Å; G335-L339 WeakPolarHBondContact O-CB 3.32Å; G335-L339 PolarHBondContact O-N 3.49Å
336L98.5Very high96.3Very high0 Ų044.5 Ų44.50%022%0.216CC..Hα-helixtrans-64.5-41176.8-68.5173.3000111.7L324 I332 S333 L339 E340 L368 L380 K383 M387L324-L336 HydrophobicContact CD2-CD2 4.04Å; L324-L336 HydrophobicContact CD2-CG 4.26Å; I332-L336 HydrophobicContact CG2-CD1 4.03Å; I332-L336 HydrophobicContact CG2-CG 4.33Å; I332-L336 WeakPolarHBondContact O-CG 3.34Å; I332-L336 PolarHBondContact O-N 3.23Å; S333-L336 PolarHBondContact O-N 3.13Å; L336-L339 PolarHBondContact O-N 2.79Å; L336-E340 VanDerWaalsContact O-CB 3.29Å; L336-E340 WeakPolarHBondContact O-CB 3.17Å; L336-E340 PolarHBondContact O-N 3.19Å; L336-L368 HydrophobicContact CD2-CD2 3.41Å; L336-L368 VanDerWaalsContact CD2-CD2 3.41Å; L336-L380 HydrophobicContact CD1-CD2 4.17Å; L336-K383 HydrophobicContact CB-CD 4.19Å; L336-K383 HydrophobicContact CB-CG 4.41Å; L336-K383 HydrophobicContact CD1-CB 4.2Å; L336-K383 HydrophobicContact CD1-CD 4.3Å; L336-K383 HydrophobicContact CD1-CG 4.12Å; L336-M387 HydrophobicContact CD2-CB 4.41Å; L336-M387 HydrophobicContact CD2-CG 4.11Å
337E97.9Very high96.4Very high55 Ų5547.9 Ų47.926%0.25724%0.235SC..Hα-helixtrans-66.6-41.1176.6-170.9-177.1-17300112.5Y291 V295 S333 K334 L339 E340 N341Y291-E337 HydrophobicContact CE2-CB 4.34Å; Y291-E337 VanDerWaalsContact CE2-OE2 3.27Å; Y291-E337 WeakPolarHBondContact CE2-OE2 3.31Å; Y291-E337 PolarHBondContact OH-OE2 3.31Å; V295-E337 HydrophobicContact CG1-CG 3.81Å; V295-E337 VanDerWaalsContact CG1-OE1 3.23Å; V295-E337 WeakPolarHBondContact CG1-OE1 3.46Å; S333-E337 WeakPolarHBondContact O-CB 3.48Å; S333-E337 PolarHBondContact O-N 3.11Å; K334-E337 PolarHBondContact O-N 2.81Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 2.86Å; E337-E340 PolarHBondContact O-N 3.12Å; E337-N341 WeakPolarHBondContact O-CB 3.45Å; E337-N341 PolarHBondContact O-N 3.31Å
338L97.7Very high96.4Very high1 Ų146.2 Ų46.21%0.00522%0.221CC..Hα-helixtrans-63.7-40.5175.2-178.763.1000111.6A290 Y291 F294 V295 H319 I320 F323 K334 G335 S342A290-L338 HydrophobicContact CB-CD2 4.5Å; Y291-L338 HydrophobicContact CD2-CB 4.43Å; F294-L338 HydrophobicContact CB-CD1 3.99Å; V295-L338 HydrophobicContact CG2-CB 4.05Å; V295-L338 HydrophobicContact CG2-CD1 3.69Å; V295-L338 HydrophobicContact CG2-CG 4.49Å; H319-L338 HydrophobicContact CB-CD2 4.37Å; I320-L338 HydrophobicContact CD1-CG 4.33Å; I320-L338 HydrophobicContact CG1-CB 4.29Å; I320-L338 HydrophobicContact CG1-CD2 3.85Å; I320-L338 HydrophobicContact CG1-CG 3.92Å; F323-L338 HydrophobicContact CD2-CD2 4.31Å; F323-L338 HydrophobicContact CE2-CD2 4Å; K334-L338 WeakPolarHBondContact O-CB 3.48Å; K334-L338 PolarHBondContact O-N 3.02Å; G335-L338 PolarHBondContact O-N 3.49Å; L338-S342 WeakPolarHBondContact O-CB 3.45Å; L338-S342 PolarHBondContact O-N 2.97Å; L338-S342 PolarHBondContact O-OG 2.66Å
339L98.4Very high96.5Very high0 Ų045.2 Ų45.20%022%0.223CC..Hα-helixtrans-64.5-47.4174.5179.562.6000111.4M317 I320 G335 L336 E337 S342 L343 V364 L368 M387M317-L339 HydrophobicContact SD-CD1 4.21Å; I320-L339 HydrophobicContact CD1-CB 3.94Å; I320-L339 HydrophobicContact CD1-CD1 3.88Å; I320-L339 HydrophobicContact CG1-CB 4.34Å; I320-L339 HydrophobicContact CG2-CB 3.99Å; I320-L339 HydrophobicContact CG2-CD1 4.42Å; I320-L339 HydrophobicContact CG2-CD2 4.46Å; G335-L339 WeakPolarHBondContact O-CB 3.32Å; G335-L339 PolarHBondContact O-N 3.49Å; L336-L339 PolarHBondContact O-N 2.79Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 2.86Å; L339-S342 PolarHBondContact O-N 3.49Å; L339-L343 HydrophobicContact CD1-CD1 3.72Å; L339-L343 HydrophobicContact CD1-CD2 4.49Å; L339-L343 HydrophobicContact CD1-CG 3.9Å; L339-L343 HydrophobicContact CD2-CD1 4.49Å; L339-L343 HydrophobicContact CG-CD1 3.84Å; L339-L343 HydrophobicContact CG-CG 4.33Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 WeakPolarHBondContact O-CG 3.46Å; L339-L343 PolarHBondContact O-N 2.69Å; L339-V364 HydrophobicContact CD1-CG1 4.36Å; L339-V364 HydrophobicContact CD2-CG1 4.14Å; L339-L368 HydrophobicContact CD2-CD1 3.84Å; L339-L368 HydrophobicContact CD2-CD2 3.95Å; L339-L368 HydrophobicContact CD2-CG 4.33Å; L339-M387 HydrophobicContact CD2-CB 4.07Å
340E98.3Very high96.5Very high54 Ų5441.8 Ų41.825%0.25221%0.211SC..Hα-helixtrans-55.7-53.9177.5-173.1163-143.500111.2L336 E337 S342 L343 L344 K383 M387L336-E340 VanDerWaalsContact O-CB 3.29Å; L336-E340 WeakPolarHBondContact O-CB 3.17Å; L336-E340 PolarHBondContact O-N 3.19Å; E337-E340 PolarHBondContact O-N 3.12Å; E340-S342 VanDerWaalsContact C-N 3.25Å; E340-S342 PolarHBondContact O-N 3.42Å; E340-L343 PolarHBondContact O-N 3.4Å; E340-L343 VanDerWaalsContact O-N 3.16Å; E340-L344 HydrophobicContact CG-CD1 3.9Å; E340-L344 HydrophobicContact CG-CG 4.31Å; E340-L344 WeakPolarHBondContact O-CB 3.48Å; E340-L344 VanDerWaalsContact O-CG 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.49Å; E340-L344 PolarHBondContact O-N 3.13Å; E340-K383 WeakPolarHBondContact OE2-CE 3.27Å; E340-K383 IonicContact OE2-NZ 3.5Å; E340-K383 PolarHBondContact OE2-NZ 3.21Å; E340-M387 HydrophobicContact CB-CE 4.14Å; E340-M387 HydrophobicContact CB-SD 3.48Å; E340-M387 WeakPolarHBondContact CB-SD 3.48Å; E340-M387 HydrophobicContact CG-CE 3.83Å; E340-M387 HydrophobicContact CG-SD 3.87Å; E340-M387 WeakPolarHBondContact OE1-CE 3.37Å
341N95.4Very high96.7Very high62 Ų6241.3 Ų41.333%0.33221%0.208SC..Hα-helixtrans-60.2-35.4178.7-79.6-18.2000112.6E337E337-N341 WeakPolarHBondContact O-CB 3.45Å; E337-N341 PolarHBondContact O-N 3.31Å
342S95.7Very high96.7Very high13 Ų1345.2 Ų45.29%0.09123%0.228CC..Hα-helixtrans-71-40.2177-59.20000112.1L338 L339 E340L338-S342 WeakPolarHBondContact O-CB 3.45Å; L338-S342 PolarHBondContact O-N 2.97Å; L338-S342 PolarHBondContact O-OG 2.66Å; L339-S342 PolarHBondContact O-N 3.49Å; E340-S342 VanDerWaalsContact C-N 3.25Å; E340-S342 PolarHBondContact O-N 3.42Å
343L97.2Very high96.6Very high0 Ų048.6 Ų48.60%024%0.241CC..Hα-helixtrans-79.2-33.4-177.5-68.6177.9000113.5L313 L339 E340 R345 I346 L390 Y391 K394L313-L343 HydrophobicContact CD1-CD2 4.06Å; L313-L343 HydrophobicContact CD2-CD2 4.11Å; L339-L343 HydrophobicContact CD1-CD1 3.72Å; L339-L343 HydrophobicContact CD1-CD2 4.49Å; L339-L343 HydrophobicContact CD1-CG 3.9Å; L339-L343 HydrophobicContact CD2-CD1 4.49Å; L339-L343 HydrophobicContact CG-CD1 3.84Å; L339-L343 HydrophobicContact CG-CG 4.33Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 WeakPolarHBondContact O-CG 3.46Å; L339-L343 PolarHBondContact O-N 2.69Å; E340-L343 PolarHBondContact O-N 3.4Å; E340-L343 VanDerWaalsContact O-N 3.16Å; L343-R345 PolarHBondContact O-N 2.74Å; L343-R345 VanDerWaalsContact O-N 3.11Å; L343-I346 HydrophobicContact CD2-CD1 4.42Å; L343-I346 PolarHBondContact O-N 3.22Å; L343-L390 HydrophobicContact CB-CD2 3.79Å; L343-L390 HydrophobicContact CB-CG 4.07Å; L343-L390 HydrophobicContact CD1-CB 4.47Å; L343-L390 HydrophobicContact CD1-CD2 4.17Å; L343-L390 HydrophobicContact CD1-CG 4.12Å; L343-Y391 HydrophobicContact CD1-CD2 4.14Å; L343-Y391 HydrophobicContact CD2-CD2 3.89Å; L343-K394 HydrophobicContact CB-CG 4.45Å; L343-K394 HydrophobicContact CD2-CG 4.08Å; L343-K394 VanDerWaalsContact O-CE 3.26Å; L343-K394 WeakPolarHBondContact O-CE 3.38Å
344L96Very high96.6Very high103 Ų10350.9 Ų50.954%0.53925%0.248SC..THydrogen-bonded Turntrans-60.9-22.4-179.3-77.1174000113.4E340 I346 L390E340-L344 HydrophobicContact CG-CD1 3.9Å; E340-L344 HydrophobicContact CG-CG 4.31Å; E340-L344 WeakPolarHBondContact O-CB 3.48Å; E340-L344 VanDerWaalsContact O-CG 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.49Å; E340-L344 PolarHBondContact O-N 3.13Å; L344-I346 VanDerWaalsContact C-N 3.34Å; L344-L390 HydrophobicContact CD2-CD2 4.46Å
345R92.4Very high96.5Very high200 Ų20053.1 Ų53.176%0.75526%0.257SS*.THydrogen-bonded Turntrans-85.6-4.8178.2-59.2-61.7-175.3-178-0.4114P309 L343P309-R345 HydrophobicContact CB-CB 3.83Å; P309-R345 HydrophobicContact CG-CB 4.09Å; L343-R345 PolarHBondContact O-N 2.74Å; L343-R345 VanDerWaalsContact O-N 3.11Å
346I96.1Very high96.4Very high8 Ų853.7 Ų53.74%0.04126%0.26CS..SBendtrans-104.6138.9-175-59.4173.1000108.9P309 L310 L313 L343 L344 S350 K394P309-I346 HydrophobicContact CB-CG1 4.07Å; L310-I346 HydrophobicContact CD2-CD1 4.31Å; L310-I346 HydrophobicContact CD2-CG2 4.23Å; L313-I346 HydrophobicContact CB-CD1 3.9Å; L313-I346 HydrophobicContact CD2-CD1 3.34Å; L313-I346 HydrophobicContact CG-CD1 4.1Å; L343-I346 HydrophobicContact CD2-CD1 4.42Å; L343-I346 PolarHBondContact O-N 3.22Å; L344-I346 VanDerWaalsContact C-N 3.34Å; I346-S350 WeakPolarHBondContact CG2-OG 3.3Å; I346-K394 HydrophobicContact CB-CD 4.33Å; I346-K394 HydrophobicContact CB-CG 4.47Å; I346-K394 HydrophobicContact CG2-CB 4.36Å; I346-K394 HydrophobicContact CG2-CD 4.37Å; I346-K394 HydrophobicContact CG2-CG 4.44Å; I346-K394 WeakPolarHBondContact O-CD 3.34Å; I346-K394 VanDerWaalsContact O-CE 3.25Å; I346-K394 WeakPolarHBondContact O-CE 3.21Å; I346-K394 PolarHBondContact O-NZ 3.44Å
347E96.5Very high96.2Very high153 Ų15361.1 Ų61.172%0.71529%0.294SS*.  trans-70.7153.1176-170.8177.4179.200111.1S350E347-S350 PolarHBondContact N-OG 3.19Å; E347-S350 PolarHBondContact O-N 3.09Å; E347-S350 PolarHBondContact O-OG 2.92Å
348D96.4Very high95.9Very high89 Ų8961.1 Ų61.148%0.47630%0.296SS..THydrogen-bonded Turntrans-64.8139175.6-75.1-0.2000110.8S350 K394D348-S350 PolarHBondContact O-N 3.13Å; D348-K394 WeakPolarHBondContact OD1-CD 3.5Å; D348-K394 WeakPolarHBondContact OD1-CE 3.17Å; D348-K394 IonicContact OD1-NZ 3.01Å; D348-K394 PolarHBondContact OD1-NZ 2.92Å
349S94.8Very high95.7Very high56 Ų5668.1 Ų68.139%0.39233%0.326SS..THydrogen-bonded Turntrans59.219-177.6-490000116.2N393 K394 L395 K400S349-N393 PolarHBondContact N-O 3.3Å; S349-K394 CarbonylContact C-O 3.55Å; S349-K394 VanDerWaalsContact CA-O 3.27Å; S349-K394 WeakPolarHBondContact CA-O 3.36Å; S349-K394 PolarHBondContact N-O 2.97Å; S349-L395 WeakPolarHBondContact CA-O 3.31Å; S349-K400 PolarHBondContact OG-NZ 3.23Å; S349-K400 VanDerWaalsContact OG-NZ 3.15Å
350S95.8Very high95.5Very high36 Ų3668.7 Ų68.725%0.25233%0.33SS..  trans-95.5-12.9176.773.10000114.4I346 E347 D348 L352 K394I346-S350 WeakPolarHBondContact CG2-OG 3.3Å; E347-S350 PolarHBondContact N-OG 3.19Å; E347-S350 PolarHBondContact O-N 3.09Å; E347-S350 PolarHBondContact O-OG 2.92Å; D348-S350 PolarHBondContact O-N 3.13Å; S350-L352 PolarHBondContact O-N 3.14Å; S350-K394 PolarHBondContact N-O 3.06Å; S350-K394 VanDerWaalsContact N-O 3.11Å
351L96.9Very high95.4Very high0 Ų066.1 Ų66.10%032%0.318CS..BIsolated β-bridgetrans-81.4104.1178.3-178.164.8000109.9L310 L313 Y355 F361 Y391 K394 L395 D396L310-L351 HydrophobicContact CD2-CD1 3.72Å; L313-L351 HydrophobicContact CD2-CD1 3.99Å; L313-L351 HydrophobicContact CD2-CD2 4.05Å; L351-Y355 HydrophobicContact CD1-CD1 4.33Å; L351-Y355 HydrophobicContact CD1-CD2 3.68Å; L351-Y355 HydrophobicContact CD1-CE2 4.18Å; L351-Y355 HydrophobicContact CD1-CG 3.76Å; L351-F361 HydrophobicContact CD1-CE1 3.98Å; L351-F361 HydrophobicContact CD2-CD1 4.3Å; L351-F361 HydrophobicContact CD2-CE1 4.13Å; L351-Y391 HydrophobicContact CD2-CE2 3.77Å; L351-K394 HydrophobicContact CB-CB 4.3Å; L351-K394 VanDerWaalsContact CB-O 3.27Å; L351-K394 WeakPolarHBondContact CB-O 3.31Å; L351-K394 PolarHBondContact N-O 3.26Å; L351-L395 HydrophobicContact CB-CD2 4.35Å; L351-L395 HydrophobicContact CD2-CD2 3.71Å; L351-L395 HydrophobicContact CD2-CG 4.21Å; L351-L395 HydrophobicContact CG-CD2 3.89Å; L351-L395 CarbonylContact O-C 3.58Å; L351-L395 WeakPolarHBondContact O-CA 3.5Å; L351-D396 PolarHBondContact O-N 3.46Å
352L96.6Very high95.4Very high82 Ų8265.3 Ų65.343%0.42931%0.313SS..  trans-69.2150.3-172.3-57.1174.8000113.3S350 Q354 Y355 D396S350-L352 PolarHBondContact O-N 3.14Å; L352-Q354 PolarHBondContact O-N 3.06Å; L352-Q354 VanDerWaalsContact O-N 3.09Å; L352-Y355 HydrophobicContact CB-CD2 4.28Å; L352-Y355 WeakPolarHBondContact O-CB 3.43Å; L352-Y355 WeakPolarHBondContact O-CD2 3.41Å; L352-Y355 PolarHBondContact O-N 3.46Å; L352-Y355 VanDerWaalsContact O-N 3.13Å; L352-D396 WeakPolarHBondContact CA-OD2 3.3Å
353Y95.3Very high95.5Very high77 Ų7766 Ų6630%0.30232%0.317SS..G310 helixtrans-57.2-27.9-179.281.6-90.6000114.3Y355 L356 D396 Q398Y353-Y355 PolarHBondContact O-N 3.09Å; Y353-Y355 VanDerWaalsContact O-N 3.14Å; Y353-L356 WeakPolarHBondContact O-CB 3.43Å; Y353-L356 PolarHBondContact O-N 2.89Å; Y353-D396 PolarHBondContact N-OD1 3.35Å; Y353-D396 PolarHBondContact N-OD2 3Å; Y353-D396 VanDerWaalsContact N-OD2 3.13Å; Y353-Q398 HydrophobicContact CD1-CB 4.26Å; Y353-Q398 HydrophobicContact CD1-CG 4.17Å; Y353-Q398 HydrophobicContact CD2-CG 4.44Å; Y353-Q398 HydrophobicContact CG-CB 4.26Å; Y353-Q398 HydrophobicContact CG-CG 3.9Å
354Q96.5Very high95.5Very high79 Ų7966 Ų6637%0.36932%0.317SS..G310 helixtrans-61.8-24.3-178.8-58.798.51.100112.3L352 L356 E357L352-Q354 PolarHBondContact O-N 3.06Å; L352-Q354 VanDerWaalsContact O-N 3.09Å; Q354-L356 PolarHBondContact O-N 2.95Å; Q354-E357 WeakPolarHBondContact O-CB 3.32Å; Q354-E357 WeakPolarHBondContact O-CG 3.38Å; Q354-E357 PolarHBondContact O-N 2.77Å; Q354-E357 VanDerWaalsContact O-N 3.15Å
355Y95.8Very high95.7Very high48 Ų4861.1 Ų61.119%0.18829%0.291CS..G310 helixtrans-64-26.6175.3-77.4-85.3000112.7Q314 L351 L352 Y353 E357 I358 F361Q314-Y355 HydrophobicContact CB-CE1 4.12Å; Q314-Y355 HydrophobicContact CG-CD1 4.46Å; Q314-Y355 HydrophobicContact CG-CE1 4.23Å; L351-Y355 HydrophobicContact CD1-CD1 4.33Å; L351-Y355 HydrophobicContact CD1-CD2 3.68Å; L351-Y355 HydrophobicContact CD1-CE2 4.18Å; L351-Y355 HydrophobicContact CD1-CG 3.76Å; L352-Y355 HydrophobicContact CB-CD2 4.28Å; L352-Y355 WeakPolarHBondContact O-CB 3.43Å; L352-Y355 WeakPolarHBondContact O-CD2 3.41Å; L352-Y355 PolarHBondContact O-N 3.46Å; L352-Y355 VanDerWaalsContact O-N 3.13Å; Y353-Y355 PolarHBondContact O-N 3.09Å; Y353-Y355 VanDerWaalsContact O-N 3.14Å; Y355-E357 PolarHBondContact O-N 3.15Å; Y355-I358 HydrophobicContact CD1-CD1 4.26Å; Y355-I358 WeakPolarHBondContact O-CB 3.34Å; Y355-I358 PolarHBondContact O-N 3.4Å; Y355-F361 AromaticContact CD1-CE1 3.93Å; Y355-F361 HydrophobicContact CD1-CE1 3.93Å; Y355-F361 HydrophobicContact CD1-CE2 4.18Å; Y355-F361 AromaticContact CD1-CZ 3.63Å; Y355-F361 HydrophobicContact CD1-CZ 3.63Å; Y355-F361 HydrophobicContact CE1-CZ 4.45Å; Y355-F361 HydrophobicContact CG-CE1 4.13Å; Y355-F361 HydrophobicContact CG-CZ 4.28Å; Y355-F361 VanDerWaalsContact O-CB 3.3Å; Y355-F361 WeakPolarHBondContact O-CB 3.45Å; Y355-F361 VanDerWaalsContact O-CG 3.31Å; Y355-F361 WeakPolarHBondContact O-CG 3.48Å
356L95.9Very high95.9Very high11 Ų1154.2 Ų54.26%0.05827%0.268CS..G310 helixtrans-68.4-13.3176.7-57.9-177.1000113.2Y353 Q354 I358 F361 L362 L395 G399 T402Y353-L356 WeakPolarHBondContact O-CB 3.43Å; Y353-L356 PolarHBondContact O-N 2.89Å; Q354-L356 PolarHBondContact O-N 2.95Å; L356-I358 PolarHBondContact O-N 3.48Å; L356-F361 HydrophobicContact CD2-CB 4.07Å; L356-L362 HydrophobicContact CB-CD2 4.35Å; L356-L362 HydrophobicContact CB-CG 4.44Å; L356-L362 HydrophobicContact CD2-CD2 4.18Å; L356-L395 HydrophobicContact CD2-CD2 3.94Å; L356-L395 HydrophobicContact CG-CD2 4.33Å; L356-G399 WeakPolarHBondContact CD1-O 3.08Å; L356-T402 HydrophobicContact CD1-CG2 3.86Å
357E93.9Very high96Very high156 Ų15654.3 Ų54.373%0.72927%0.271SS*.G310 helixtrans-69.2-19.8171.4-60.5178.8-17700111.8Q354 Y355Q354-E357 WeakPolarHBondContact O-CB 3.32Å; Q354-E357 WeakPolarHBondContact O-CG 3.38Å; Q354-E357 PolarHBondContact O-N 2.77Å; Q354-E357 VanDerWaalsContact O-N 3.15Å; Y355-E357 PolarHBondContact O-N 3.15Å
358I92.2Very high96.1Very high55 Ų5547 Ų4728%0.28224%0.237SC..SBendtrans-82.9120.8173.2-53172.4000108.1Q314 Y355 L356 S360 F361Q314-I358 HydrophobicContact CG-CD1 3.65Å; Q314-I358 VanDerWaalsContact NE2-CD1 3.26Å; Y355-I358 HydrophobicContact CD1-CD1 4.26Å; Y355-I358 WeakPolarHBondContact O-CB 3.34Å; Y355-I358 PolarHBondContact O-N 3.4Å; L356-I358 PolarHBondContact O-N 3.48Å; I358-S360 VanDerWaalsContact C-N 3.26Å; I358-S360 PolarHBondContact O-N 3.32Å; I358-F361 HydrophobicContact CB-CD2 3.78Å; I358-F361 HydrophobicContact CB-CE2 4.33Å; I358-F361 HydrophobicContact CD1-CD2 4.29Å; I358-F361 HydrophobicContact CD1-CE2 4.02Å; I358-F361 HydrophobicContact CG2-CD2 4.02Å; I358-F361 HydrophobicContact CG2-CE2 4.4Å; I358-F361 WeakPolarHBondContact O-CB 3.36Å; I358-F361 PolarHBondContact O-N 2.9Å
359K93Very high96.2Very high149 Ų14943.3 Ų43.365%0.64822%0.217SC*.THydrogen-bonded Turntrans-43.9-48.1-175.1179.5-178.2171.6-172.60113.9F361 L362 T363K359-F361 PolarHBondContact O-N 3.46Å; K359-L362 PolarHBondContact O-N 3.23Å; K359-T363 HydrophobicContact CG-CG2 3.76Å; K359-T363 PolarHBondContact O-N 3.49Å; K359-T363 PolarHBondContact O-OG1 2.89Å
360S94.4Very high96.3Very high11 Ų1147 Ų478%0.07723%0.226CC..Hα-helixtrans-59.8-28.4-176.852.70000113.5M317 I358 L362 T363 V364M317-S360 WeakPolarHBondContact CB-OG 3.35Å; I358-S360 VanDerWaalsContact C-N 3.26Å; I358-S360 PolarHBondContact O-N 3.32Å; S360-L362 PolarHBondContact O-N 3.21Å; S360-T363 WeakPolarHBondContact CA-OG1 3.46Å; S360-V364 WeakPolarHBondContact O-CB 3.46Å; S360-V364 WeakPolarHBondContact O-CG2 3.49Å; S360-V364 PolarHBondContact O-N 3.35Å
361F96.8Very high96.4Very high0 Ų045.6 Ų45.60%022%0.216CC..Hα-helixtrans-73.3-14.8178.4-78.5-104.9000113.9L313 Q314 M317 L351 Y355 L356 I358 K359 P365 Y391L313-F361 HydrophobicContact CD2-CE1 3.87Å; L313-F361 HydrophobicContact CD2-CZ 4.29Å; L313-F361 HydrophobicContact CG-CE1 4.19Å; L313-F361 HydrophobicContact CG-CZ 4.17Å; Q314-F361 HydrophobicContact CB-CE2 4.43Å; Q314-F361 HydrophobicContact CB-CZ 4.28Å; Q314-F361 HydrophobicContact CG-CE2 4.24Å; M317-F361 HydrophobicContact CB-CD2 4.13Å; M317-F361 HydrophobicContact CB-CE2 3.87Å; M317-F361 HydrophobicContact CB-CZ 4.38Å; M317-F361 HydrophobicContact CE-CD1 3.62Å; M317-F361 HydrophobicContact CE-CE1 3.82Å; M317-F361 HydrophobicContact CE-CG 4Å; M317-F361 HydrophobicContact CE-CZ 4.4Å; M317-F361 HydrophobicContact CG-CD1 4.36Å; M317-F361 HydrophobicContact CG-CD2 3.94Å; M317-F361 HydrophobicContact CG-CE1 4.02Å; M317-F361 HydrophobicContact CG-CE2 3.6Å; M317-F361 HydrophobicContact CG-CG 4.33Å; M317-F361 HydrophobicContact CG-CZ 3.64Å; L351-F361 HydrophobicContact CD1-CE1 3.98Å; L351-F361 HydrophobicContact CD2-CD1 4.3Å; L351-F361 HydrophobicContact CD2-CE1 4.13Å; Y355-F361 AromaticContact CD1-CE1 3.93Å; Y355-F361 HydrophobicContact CD1-CE1 3.93Å; Y355-F361 HydrophobicContact CD1-CE2 4.18Å; Y355-F361 AromaticContact CD1-CZ 3.63Å; Y355-F361 HydrophobicContact CD1-CZ 3.63Å; Y355-F361 HydrophobicContact CE1-CZ 4.45Å; Y355-F361 HydrophobicContact CG-CE1 4.13Å; Y355-F361 HydrophobicContact CG-CZ 4.28Å; Y355-F361 VanDerWaalsContact O-CB 3.3Å; Y355-F361 WeakPolarHBondContact O-CB 3.45Å; Y355-F361 VanDerWaalsContact O-CG 3.31Å; Y355-F361 WeakPolarHBondContact O-CG 3.48Å; L356-F361 HydrophobicContact CD2-CB 4.07Å; I358-F361 HydrophobicContact CB-CD2 3.78Å; I358-F361 HydrophobicContact CB-CE2 4.33Å; I358-F361 HydrophobicContact CD1-CD2 4.29Å; I358-F361 HydrophobicContact CD1-CE2 4.02Å; I358-F361 HydrophobicContact CG2-CD2 4.02Å; I358-F361 HydrophobicContact CG2-CE2 4.4Å; I358-F361 WeakPolarHBondContact O-CB 3.36Å; I358-F361 PolarHBondContact O-N 2.9Å; K359-F361 PolarHBondContact O-N 3.46Å; F361-P365 WeakPolarHBondContact O-CD 3.15Å; F361-P365 WeakPolarHBondContact O-CG 3.5Å; F361-Y391 HydrophobicContact CD1-CE2 4.47Å; F361-Y391 VanDerWaalsContact CD1-OH 3.3Å; F361-Y391 WeakPolarHBondContact CD1-OH 3.3Å; F361-Y391 PolarHBondContact O-OH 2.96Å
362L96.1Very high96.4Very high45 Ų4546.9 Ų46.924%0.23622%0.222CC..Hα-helixtrans-102.8-37.2169.9-69.9175.7000112L356 K359 S360 P365 Q366 L403 C406L356-L362 HydrophobicContact CB-CD2 4.35Å; L356-L362 HydrophobicContact CB-CG 4.44Å; L356-L362 HydrophobicContact CD2-CD2 4.18Å; K359-L362 PolarHBondContact O-N 3.23Å; S360-L362 PolarHBondContact O-N 3.21Å; L362-P365 WeakPolarHBondContact O-CD 3.44Å; L362-Q366 WeakPolarHBondContact O-CG 3.27Å; L362-Q366 PolarHBondContact O-N 3.3Å; L362-L403 HydrophobicContact CD2-CD1 4.22Å; L362-C406 HydrophobicContact CD2-CB 4.44Å
363T96.7Very high96.3Very high27 Ų2745.2 Ų45.217%0.16622%0.216CC..Hα-helixtrans-75.8-28.4-178.959.30000113.3E321 K359 S360 Q366 G367E321-T363 VanDerWaalsContact OE1-CB 3.25Å; E321-T363 WeakPolarHBondContact OE1-CB 3.48Å; E321-T363 PolarHBondContact OE1-OG1 3.48Å; E321-T363 PolarHBondContact OE2-OG1 2.89Å; K359-T363 HydrophobicContact CG-CG2 3.76Å; K359-T363 PolarHBondContact O-N 3.49Å; K359-T363 PolarHBondContact O-OG1 2.89Å; S360-T363 WeakPolarHBondContact CA-OG1 3.46Å; T363-Q366 PolarHBondContact O-N 3.48Å; T363-G367 PolarHBondContact O-N 3.41Å
364V98.4Very high96.3Very high1 Ų148 Ų481%0.00624%0.235CC..Hα-helixtrans-62.5-51.6173.41650000111.3M317 I320 E321 L324 L339 S360 Q366 G367 L368M317-V364 WeakPolarHBondContact O-CG2 3.45Å; M317-V364 HydrophobicContact SD-CB 4.15Å; M317-V364 HydrophobicContact SD-CG1 4.07Å; M317-V364 HydrophobicContact SD-CG2 3.98Å; I320-V364 HydrophobicContact CB-CG2 4.28Å; I320-V364 HydrophobicContact CG2-CG1 3.8Å; I320-V364 HydrophobicContact CG2-CG2 4Å; E321-V364 HydrophobicContact CB-CG2 3.91Å; L324-V364 HydrophobicContact CD1-CG1 3.96Å; L339-V364 HydrophobicContact CD1-CG1 4.36Å; L339-V364 HydrophobicContact CD2-CG1 4.14Å; S360-V364 WeakPolarHBondContact O-CB 3.46Å; S360-V364 WeakPolarHBondContact O-CG2 3.49Å; S360-V364 PolarHBondContact O-N 3.35Å; V364-Q366 VanDerWaalsContact C-N 3.28Å; V364-Q366 PolarHBondContact O-N 2.95Å; V364-G367 CarbonylContact O-C 3.52Å; V364-G367 WeakPolarHBondContact O-CA 3.31Å; V364-G367 PolarHBondContact O-N 3.13Å; V364-L368 WeakPolarHBondContact O-CG 3.38Å; V364-L368 PolarHBondContact O-N 2.96Å
365P98.3Very high96.3Very high0 Ų044.7 Ų44.70%022%0.221CC..Hα-helixtrans-54.8-39.4171.7-29.235.7000114.1F361 L362 L368 V369 L388 Y391 L403 L407F361-P365 WeakPolarHBondContact O-CD 3.15Å; F361-P365 WeakPolarHBondContact O-CG 3.5Å; L362-P365 WeakPolarHBondContact O-CD 3.44Å; P365-L368 WeakPolarHBondContact O-CB 3.4Å; P365-L368 PolarHBondContact O-N 3.33Å; P365-V369 WeakPolarHBondContact O-CG2 3.48Å; P365-V369 PolarHBondContact O-N 3.09Å; P365-L388 HydrophobicContact CB-CD1 3.99Å; P365-Y391 HydrophobicContact CG-CD1 3.66Å; P365-Y391 HydrophobicContact CG-CE1 3.32Å; P365-L403 HydrophobicContact CB-CD1 3.85Å; P365-L403 HydrophobicContact CG-CD1 3.94Å; P365-L407 HydrophobicContact CB-CD2 4.46Å
366Q97.5Very high96.3Very high55 Ų5547.4 Ų47.426%0.25724%0.244SC..Hα-helixtrans-65.8-37.9174.1-68.2172.7-6.600112.1L362 T363 V364 L368 V369 K370 L407L362-Q366 WeakPolarHBondContact O-CG 3.27Å; L362-Q366 PolarHBondContact O-N 3.3Å; T363-Q366 PolarHBondContact O-N 3.48Å; V364-Q366 VanDerWaalsContact C-N 3.28Å; V364-Q366 PolarHBondContact O-N 2.95Å; Q366-L368 VanDerWaalsContact C-N 3.34Å; Q366-V369 WeakPolarHBondContact O-CB 3.5Å; Q366-V369 PolarHBondContact O-N 3.19Å; Q366-K370 WeakPolarHBondContact O-CG 3.38Å; Q366-K370 PolarHBondContact O-N 3.02Å; Q366-L407 HydrophobicContact CG-CD2 4.13Å
367G97.9Very high96.4Very high11 Ų1149.2 Ų49.211%0.11325%0.253CS..Hα-helixtrans-61.5-41.1171.700000112T363 V364 V369 K370 V371T363-G367 PolarHBondContact O-N 3.41Å; V364-G367 CarbonylContact O-C 3.52Å; V364-G367 WeakPolarHBondContact O-CA 3.31Å; V364-G367 PolarHBondContact O-N 3.13Å; G367-V369 VanDerWaalsContact C-N 3.35Å; G367-V369 PolarHBondContact O-N 2.99Å; G367-K370 WeakPolarHBondContact O-CB 3.47Å; G367-K370 PolarHBondContact O-N 3.44Å; G367-V371 WeakPolarHBondContact O-CG2 3.43Å; G367-V371 PolarHBondContact O-N 3.34Å
368L98.6Very high96.5Very high0 Ų046.7 Ų46.70%024%0.242CC..Hα-helixtrans-60.6-45173.3-64.8175.4000111.2L324 L336 L339 V364 P365 Q366 K370 V371 M372 S384 M387 L388L324-L368 HydrophobicContact CD1-CD2 3.74Å; L324-L368 HydrophobicContact CD1-CG 4.03Å; L324-L368 HydrophobicContact CD2-CD2 4.26Å; L336-L368 HydrophobicContact CD2-CD2 3.41Å; L336-L368 VanDerWaalsContact CD2-CD2 3.41Å; L339-L368 HydrophobicContact CD2-CD1 3.84Å; L339-L368 HydrophobicContact CD2-CD2 3.95Å; L339-L368 HydrophobicContact CD2-CG 4.33Å; V364-L368 WeakPolarHBondContact O-CG 3.38Å; V364-L368 PolarHBondContact O-N 2.96Å; P365-L368 WeakPolarHBondContact O-CB 3.4Å; P365-L368 PolarHBondContact O-N 3.33Å; Q366-L368 VanDerWaalsContact C-N 3.34Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 3.19Å; L368-V371 PolarHBondContact O-N 3.33Å; L368-V371 VanDerWaalsContact O-N 3.16Å; L368-M372 WeakPolarHBondContact O-CB 3.45Å; L368-M372 WeakPolarHBondContact O-CG 3.36Å; L368-M372 PolarHBondContact O-N 3.34Å; L368-S384 WeakPolarHBondContact CA-OG 3.25Å; L368-S384 WeakPolarHBondContact CB-OG 3.38Å; L368-S384 WeakPolarHBondContact CD2-OG 3.2Å; L368-S384 PolarHBondContact O-OG 3.4Å; L368-M387 HydrophobicContact CD1-CB 4.2Å; L368-M387 HydrophobicContact CD2-CB 4.18Å; L368-L388 HydrophobicContact CD1-CB 4.06Å; L368-L388 HydrophobicContact CD1-CD1 4.39Å
369V98.1Very high96.8Very high10 Ų1048.7 Ų48.76%0.06126%0.257CS..Hα-helixtrans-58-44.8175171.10000111.1P365 Q366 G367 V371 M372 T373 L388 L407 V416P365-V369 WeakPolarHBondContact O-CG2 3.48Å; P365-V369 PolarHBondContact O-N 3.09Å; Q366-V369 WeakPolarHBondContact O-CB 3.5Å; Q366-V369 PolarHBondContact O-N 3.19Å; G367-V369 VanDerWaalsContact C-N 3.35Å; G367-V369 PolarHBondContact O-N 2.99Å; V369-V371 PolarHBondContact O-N 2.95Å; V369-M372 WeakPolarHBondContact O-CB 3.37Å; V369-M372 PolarHBondContact O-N 3.28Å; V369-T373 PolarHBondContact O-N 3.46Å; V369-T373 VanDerWaalsContact O-N 3.07Å; V369-T373 PolarHBondContact O-OG1 2.9Å; V369-T373 VanDerWaalsContact O-OG1 3.04Å; V369-L388 HydrophobicContact CG2-CD2 4.12Å; V369-L407 HydrophobicContact CG2-CD2 4.26Å; V369-V416 HydrophobicContact CG1-CG1 4.14Å; V369-V416 HydrophobicContact CG1-CG2 4.28Å; V369-V416 HydrophobicContact CG2-CG1 3.92Å
370K97.4Very high97Very high134 Ų13442 Ų4258%0.58323%0.228SC*.Hα-helixtrans-59.5-43.8175-71.7178.1178.7-1780112.3Q366 G367 L368 M372 T373 L374Q366-K370 WeakPolarHBondContact O-CG 3.38Å; Q366-K370 PolarHBondContact O-N 3.02Å; G367-K370 WeakPolarHBondContact O-CB 3.47Å; G367-K370 PolarHBondContact O-N 3.44Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 3.19Å; K370-M372 VanDerWaalsContact C-N 3.35Å; K370-T373 PolarHBondContact O-N 3.34Å; K370-L374 HydrophobicContact CB-CD1 4.49Å; K370-L374 WeakPolarHBondContact O-CA 3.3Å; K370-L374 VanDerWaalsContact O-CB 3.25Å; K370-L374 WeakPolarHBondContact O-CB 3.41Å; K370-L374 WeakPolarHBondContact O-CG 3.34Å; K370-L374 PolarHBondContact O-N 3.4Å
371V97.8Very high97.2Very high6 Ų645.2 Ų45.24%0.03624%0.239CC..Hα-helixtrans-63.5-43.4175.81740000110.4L324 I332 G367 L368 V369 T373 C375 R381L324-V371 HydrophobicContact CD2-CG2 4.25Å; I332-V371 HydrophobicContact CG2-CG1 3.87Å; I332-V371 HydrophobicContact CG2-CG2 3.94Å; G367-V371 WeakPolarHBondContact O-CG2 3.43Å; G367-V371 PolarHBondContact O-N 3.34Å; L368-V371 PolarHBondContact O-N 3.33Å; L368-V371 VanDerWaalsContact O-N 3.16Å; V369-V371 PolarHBondContact O-N 2.95Å; V371-T373 VanDerWaalsContact C-N 3.25Å; V371-T373 PolarHBondContact O-N 2.86Å; V371-C375 HydrophobicContact CG1-CB 3.93Å; V371-C375 WeakPolarHBondContact O-CB 3.36Å; V371-C375 PolarHBondContact O-N 3.27Å; V371-C375 VanDerWaalsContact O-N 3.17Å; V371-R381 WeakPolarHBondContact O-CG 3.19Å
372M96.9Very high97.2Very high27 Ų2751.4 Ų51.413%0.13327%0.265CS..Hα-helixtrans-61-30.3179.8-70.4163.356.100113.7L368 V369 K370 R381 L385 L388 V416L368-M372 WeakPolarHBondContact O-CB 3.45Å; L368-M372 WeakPolarHBondContact O-CG 3.36Å; L368-M372 PolarHBondContact O-N 3.34Å; V369-M372 WeakPolarHBondContact O-CB 3.37Å; V369-M372 PolarHBondContact O-N 3.28Å; K370-M372 VanDerWaalsContact C-N 3.35Å; M372-R381 WeakPolarHBondContact O-CD 3.19Å; M372-L385 HydrophobicContact CE-CB 3.86Å; M372-L385 HydrophobicContact CE-CD1 3.41Å; M372-L385 VanDerWaalsContact CE-CD1 3.41Å; M372-L385 HydrophobicContact CE-CG 4.17Å; M372-L385 HydrophobicContact CG-CB 4.17Å; M372-L385 VanDerWaalsContact SD-CA 3.59Å; M372-L385 HydrophobicContact SD-CB 4.1Å; M372-L385 HydrophobicContact SD-CD1 4.36Å; M372-L388 HydrophobicContact CE-CD2 4.33Å; M372-L388 HydrophobicContact SD-CB 4.33Å; M372-L388 HydrophobicContact SD-CD2 3.9Å; M372-V416 HydrophobicContact CE-CG2 4.25Å
373T95.2Very high97.3Very high48 Ų4852.1 Ų52.129%0.29427%0.266SS..Hα-helixtrans-105.5-32.8-174.357.50000113.3V369 K370 V371 H413 V416V369-T373 PolarHBondContact O-N 3.46Å; V369-T373 VanDerWaalsContact O-N 3.07Å; V369-T373 PolarHBondContact O-OG1 2.9Å; V369-T373 VanDerWaalsContact O-OG1 3.04Å; K370-T373 PolarHBondContact O-N 3.34Å; V371-T373 VanDerWaalsContact C-N 3.25Å; V371-T373 PolarHBondContact O-N 2.86Å; T373-H413 HydrophobicContact CG2-CB 4.35Å; T373-H413 VanDerWaalsContact CG2-CD2 3.42Å; T373-H413 WeakPolarHBondContact CG2-CD2 3.02Å; T373-V416 HydrophobicContact CG2-CG2 3.92Å
374L95.9Very high97.4Very high134 Ų13450.8 Ų50.870%0.70226%0.259SS*.Hα-helixtrans-109.5-18.7-170.7-51180000114.2K370K370-L374 HydrophobicContact CB-CD1 4.49Å; K370-L374 WeakPolarHBondContact O-CA 3.3Å; K370-L374 VanDerWaalsContact O-CB 3.25Å; K370-L374 WeakPolarHBondContact O-CB 3.41Å; K370-L374 WeakPolarHBondContact O-CG 3.34Å; K370-L374 PolarHBondContact O-N 3.4Å
375C95.4Very high97.4Very high11 Ų1154 Ų547%0.07428%0.275CS..  trans-70.1131-178.6-176.10000110.6V371 I377 R381V371-C375 HydrophobicContact CG1-CB 3.93Å; V371-C375 WeakPolarHBondContact O-CB 3.36Å; V371-C375 PolarHBondContact O-N 3.27Å; V371-C375 VanDerWaalsContact O-N 3.17Å; C375-I377 PolarHBondContact O-N 3.1Å; C375-R381 HydrophobicContact CB-CG 4.12Å; C375-R381 VanDerWaalsContact O-CD 3.24Å; C375-R381 WeakPolarHBondContact O-CD 3.32Å; C375-R381 WeakPolarHBondContact O-CG 3.39Å; C375-R381 PolarHBondContact O-NH1 3.38Å
376P96.6Very high97.4Very high104 Ų10456.5 Ų56.568%0.67530%0.296SS*.SBendtrans-67.2-24.7179.725.9-33.7000112.8E378 R381P376-E378 PolarHBondContact O-N 2.53Å; P376-R381 PolarHBondContact O-NH1 3.03Å
377I96.3Very high97.5Very high49 Ų4954.2 Ų54.225%0.25129%0.285SS..  trans-87.4112.4-172.9-46.2-55.1000110.9E329 C375 T379 L380 R381E329-I377 HydrophobicContact CB-CG1 4.36Å; E329-I377 HydrophobicContact CG-CG1 4.05Å; C375-I377 PolarHBondContact O-N 3.1Å; I377-T379 VanDerWaalsContact C-N 3.34Å; I377-T379 WeakPolarHBondContact CG2-OG1 3.45Å; I377-T379 PolarHBondContact O-N 2.64Å; I377-L380 HydrophobicContact CB-CB 4.26Å; I377-L380 HydrophobicContact CB-CD1 4.15Å; I377-L380 HydrophobicContact CB-CG 4.09Å; I377-L380 HydrophobicContact CG1-CD1 4.41Å; I377-L380 HydrophobicContact CG2-CD1 4.49Å; I377-L380 HydrophobicContact CG2-CG 4.08Å; I377-L380 PolarHBondContact O-N 3.3Å; I377-R381 PolarHBondContact O-N 3.47Å
378E96.9Very high97.5Very high103 Ų10353.7 Ų53.748%0.48128%0.28SS..Hα-helixtrans-61.9-37.9-174.9-171.5-176.216200113.5P376 L380 R381 K382P376-E378 PolarHBondContact O-N 2.53Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 2.93Å; E378-R381 PolarHBondContact O-N 2.9Å; E378-K382 HydrophobicContact CG-CD 4.43Å; E378-K382 WeakPolarHBondContact O-CG 3.42Å; E378-K382 PolarHBondContact O-N 2.88Å; E378-K382 WeakPolarHBondContact OE1-CE 3.35Å; E378-K382 IonicContact OE1-NZ 3.66Å; E378-K382 PolarHBondContact OE1-NZ 3.01Å
379T97.5Very high97.5Very high98 Ų9856 Ų5660%0.60129%0.291SS*.Hα-helixtrans-61.8-40.517853.80000111.2I377 K382 K383I377-T379 VanDerWaalsContact C-N 3.34Å; I377-T379 WeakPolarHBondContact CG2-OG1 3.45Å; I377-T379 PolarHBondContact O-N 2.64Å; T379-K382 PolarHBondContact O-N 3.41Å; T379-K383 WeakPolarHBondContact O-CB 3.38Å; T379-K383 PolarHBondContact O-N 3.3Å
380L97.8Very high97.6Very high8 Ų856.9 Ų56.94%0.04230%0.295CS..Hα-helixtrans-68.9-39.7174.4-64-172.5000112.1E329 I332 L336 I377 E378 K382 K383 S384E329-L380 HydrophobicContact CB-CD1 4.37Å; E329-L380 HydrophobicContact CG-CD1 3.76Å; I332-L380 HydrophobicContact CB-CD1 4.16Å; I332-L380 HydrophobicContact CG2-CD1 4.04Å; L336-L380 HydrophobicContact CD1-CD2 4.17Å; I377-L380 HydrophobicContact CB-CB 4.26Å; I377-L380 HydrophobicContact CB-CD1 4.15Å; I377-L380 HydrophobicContact CB-CG 4.09Å; I377-L380 HydrophobicContact CG1-CD1 4.41Å; I377-L380 HydrophobicContact CG2-CD1 4.49Å; I377-L380 HydrophobicContact CG2-CG 4.08Å; I377-L380 PolarHBondContact O-N 3.3Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 2.93Å; L380-K382 PolarHBondContact O-N 2.81Å; L380-K383 PolarHBondContact O-N 3.11Å; L380-S384 VanDerWaalsContact O-CB 3.3Å; L380-S384 WeakPolarHBondContact O-CB 3.32Å; L380-S384 PolarHBondContact O-N 3.05Å
381R98.3Very high97.6Very high79 Ų7950.6 Ų50.630%0.29827%0.267SS..Hα-helixtrans-57.5-48.1173.5-65.6-163.2-62.8-85.83.4111.4V371 M372 C375 P376 I377 E378 S384 L385V371-R381 WeakPolarHBondContact O-CG 3.19Å; M372-R381 WeakPolarHBondContact O-CD 3.19Å; C375-R381 HydrophobicContact CB-CG 4.12Å; C375-R381 VanDerWaalsContact O-CD 3.24Å; C375-R381 WeakPolarHBondContact O-CD 3.32Å; C375-R381 WeakPolarHBondContact O-CG 3.39Å; C375-R381 PolarHBondContact O-NH1 3.38Å; P376-R381 PolarHBondContact O-NH1 3.03Å; I377-R381 PolarHBondContact O-N 3.47Å; E378-R381 PolarHBondContact O-N 2.9Å; R381-S384 PolarHBondContact O-N 2.9Å; R381-L385 PolarHBondContact O-N 2.92Å; R381-L385 VanDerWaalsContact O-N 3.08Å
382K98.3Very high97.7Very high129 Ų12950.3 Ų50.356%0.56127%0.266SS*.Hα-helixtrans-64-43.5177.4-73.2179.8-178.3167.40112.2E378 T379 L380 S384 L385 A386E378-K382 HydrophobicContact CG-CD 4.43Å; E378-K382 WeakPolarHBondContact O-CG 3.42Å; E378-K382 PolarHBondContact O-N 2.88Å; E378-K382 WeakPolarHBondContact OE1-CE 3.35Å; E378-K382 IonicContact OE1-NZ 3.66Å; E378-K382 PolarHBondContact OE1-NZ 3.01Å; T379-K382 PolarHBondContact O-N 3.41Å; L380-K382 PolarHBondContact O-N 2.81Å; K382-S384 VanDerWaalsContact C-N 3.34Å; K382-S384 PolarHBondContact O-N 2.86Å; K382-L385 PolarHBondContact O-N 3.2Å; K382-A386 PolarHBondContact O-N 3.33Å
383K98.4Very high97.7Very high60 Ų6051.5 Ų51.526%0.26127%0.273SS..Hα-helixtrans-62.7-41.7176.6-173.6168.5-175.4169.20111.4L336 E340 T379 L380 L385 A386 M387L336-K383 HydrophobicContact CB-CD 4.19Å; L336-K383 HydrophobicContact CB-CG 4.41Å; L336-K383 HydrophobicContact CD1-CB 4.2Å; L336-K383 HydrophobicContact CD1-CD 4.3Å; L336-K383 HydrophobicContact CD1-CG 4.12Å; E340-K383 WeakPolarHBondContact OE2-CE 3.27Å; E340-K383 IonicContact OE2-NZ 3.5Å; E340-K383 PolarHBondContact OE2-NZ 3.21Å; T379-K383 WeakPolarHBondContact O-CB 3.38Å; T379-K383 PolarHBondContact O-N 3.3Å; L380-K383 PolarHBondContact O-N 3.11Å; K383-L385 PolarHBondContact O-N 3.26Å; K383-A386 WeakPolarHBondContact O-CB 3.42Å; K383-A386 PolarHBondContact O-N 3.15Å; K383-M387 WeakPolarHBondContact O-CG 3.33Å; K383-M387 PolarHBondContact O-N 3.26Å
384S98.6Very high97.9Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-62.1-42.6177.1-169.70000112.5L368 L380 R381 K382 A386 M387 L388L368-S384 WeakPolarHBondContact CA-OG 3.25Å; L368-S384 WeakPolarHBondContact CB-OG 3.38Å; L368-S384 WeakPolarHBondContact CD2-OG 3.2Å; L368-S384 PolarHBondContact O-OG 3.4Å; L380-S384 VanDerWaalsContact O-CB 3.3Å; L380-S384 WeakPolarHBondContact O-CB 3.32Å; L380-S384 PolarHBondContact O-N 3.05Å; R381-S384 PolarHBondContact O-N 2.9Å; K382-S384 VanDerWaalsContact C-N 3.34Å; K382-S384 PolarHBondContact O-N 2.86Å; S384-A386 PolarHBondContact O-N 3.05Å; S384-M387 PolarHBondContact O-N 2.68Å; S384-L388 PolarHBondContact O-N 2.9Å
385L98.4Very high98Very high68 Ų6843.7 Ų43.736%0.35623%0.229SC..Hα-helixtrans-59.6-44.8172.7174.262.7000111.9M372 R381 K382 K383 M387 L388 Q389 F419M372-L385 HydrophobicContact CE-CB 3.86Å; M372-L385 HydrophobicContact CE-CD1 3.41Å; M372-L385 VanDerWaalsContact CE-CD1 3.41Å; M372-L385 HydrophobicContact CE-CG 4.17Å; M372-L385 HydrophobicContact CG-CB 4.17Å; M372-L385 VanDerWaalsContact SD-CA 3.59Å; M372-L385 HydrophobicContact SD-CB 4.1Å; M372-L385 HydrophobicContact SD-CD1 4.36Å; R381-L385 PolarHBondContact O-N 2.92Å; R381-L385 VanDerWaalsContact O-N 3.08Å; K382-L385 PolarHBondContact O-N 3.2Å; K383-L385 PolarHBondContact O-N 3.26Å; L385-M387 VanDerWaalsContact C-N 3.32Å; L385-M387 PolarHBondContact O-N 3.46Å; L385-L388 PolarHBondContact O-N 3.15Å; L385-Q389 PolarHBondContact O-N 2.98Å; L385-F419 HydrophobicContact CD1-CD1 4.17Å; L385-F419 HydrophobicContact CD1-CD2 3.88Å; L385-F419 HydrophobicContact CD1-CE1 4.02Å; L385-F419 HydrophobicContact CD1-CE2 3.72Å; L385-F419 HydrophobicContact CD1-CG 4.1Å; L385-F419 HydrophobicContact CD1-CZ 3.78Å
386A98.6Very high98Very high52 Ų5244.4 Ų44.443%0.4323%0.232SC..Hα-helixtrans-62-40.2176.600000112K382 K383 S384 Q389 L390K382-A386 PolarHBondContact O-N 3.33Å; K383-A386 WeakPolarHBondContact O-CB 3.42Å; K383-A386 PolarHBondContact O-N 3.15Å; S384-A386 PolarHBondContact O-N 3.05Å; A386-Q389 PolarHBondContact O-N 2.9Å; A386-L390 WeakPolarHBondContact O-CB 3.45Å; A386-L390 PolarHBondContact O-N 3.35Å
387M98.6Very high97.9Very high7 Ų740.5 Ų40.53%0.03421%0.208CC..Hα-helixtrans-66.6-37.8176-70.5-55.1101.300112.6L336 L339 E340 L368 K383 S384 L385 L390 Y391L336-M387 HydrophobicContact CD2-CB 4.41Å; L336-M387 HydrophobicContact CD2-CG 4.11Å; L339-M387 HydrophobicContact CD2-CB 4.07Å; E340-M387 HydrophobicContact CB-CE 4.14Å; E340-M387 HydrophobicContact CB-SD 3.48Å; E340-M387 WeakPolarHBondContact CB-SD 3.48Å; E340-M387 HydrophobicContact CG-CE 3.83Å; E340-M387 HydrophobicContact CG-SD 3.87Å; E340-M387 WeakPolarHBondContact OE1-CE 3.37Å; L368-M387 HydrophobicContact CD1-CB 4.2Å; L368-M387 HydrophobicContact CD2-CB 4.18Å; K383-M387 WeakPolarHBondContact O-CG 3.33Å; K383-M387 PolarHBondContact O-N 3.26Å; S384-M387 PolarHBondContact O-N 2.68Å; L385-M387 VanDerWaalsContact C-N 3.32Å; L385-M387 PolarHBondContact O-N 3.46Å; M387-L390 HydrophobicContact CE-CD2 4.05Å; M387-L390 PolarHBondContact O-N 3.06Å; M387-L390 HydrophobicContact SD-CD2 4.17Å; M387-Y391 WeakPolarHBondContact O-CB 3.33Å; M387-Y391 PolarHBondContact O-N 2.67Å
388L98.8Very high97.9Very high0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-63.1-44174.2-179.260.9000110.8P365 L368 V369 M372 S384 L385 Y391 I392 L407 F419P365-L388 HydrophobicContact CB-CD1 3.99Å; L368-L388 HydrophobicContact CD1-CB 4.06Å; L368-L388 HydrophobicContact CD1-CD1 4.39Å; V369-L388 HydrophobicContact CG2-CD2 4.12Å; M372-L388 HydrophobicContact CE-CD2 4.33Å; M372-L388 HydrophobicContact SD-CB 4.33Å; M372-L388 HydrophobicContact SD-CD2 3.9Å; S384-L388 PolarHBondContact O-N 2.9Å; L385-L388 PolarHBondContact O-N 3.15Å; L388-Y391 PolarHBondContact O-N 2.96Å; L388-I392 HydrophobicContact CD1-CD1 4.39Å; L388-I392 HydrophobicContact CG-CD1 4.11Å; L388-I392 VanDerWaalsContact O-CG1 3.27Å; L388-I392 WeakPolarHBondContact O-CG1 3.13Å; L388-I392 PolarHBondContact O-N 3.06Å; L388-L407 HydrophobicContact CD1-CD1 4.16Å; L388-F419 HydrophobicContact CD2-CD1 4.33Å; L388-F419 HydrophobicContact CD2-CE1 3.85Å; L388-F419 HydrophobicContact CG-CE1 4.15Å
389Q98.6Very high97.9Very high49 Ų4935.7 Ų35.723%0.22918%0.184CC..Hα-helixtrans-62.6-43.3174.9-173.161.262.700111.8L385 A386 Y391 I392 N393 F419 N423L385-Q389 PolarHBondContact O-N 2.98Å; A386-Q389 PolarHBondContact O-N 2.9Å; Q389-Y391 VanDerWaalsContact C-N 3.33Å; Q389-Y391 PolarHBondContact O-N 3.18Å; Q389-I392 PolarHBondContact O-N 3.47Å; Q389-N393 PolarHBondContact NE2-OD1 3.33Å; Q389-N393 PolarHBondContact O-N 3.03Å; Q389-N393 PolarHBondContact O-ND2 3.5Å; Q389-N393 PolarHBondContact O-OD1 3.38Å; Q389-F419 HydrophobicContact CB-CZ 4.09Å; Q389-N423 PolarHBondContact NE2-OD1 3.48Å; Q389-N423 PolarHBondContact OE1-ND2 3.2Å; Q389-N423 PolarHBondContact OE1-OD1 3.44Å
390L98.6Very high97.9Very high29 Ų2931.3 Ų31.315%0.15216%0.156CC..Hα-helixtrans-60-45176.7-177.162.4000110.9L343 L344 A386 M387 N393 K394L343-L390 HydrophobicContact CB-CD2 3.79Å; L343-L390 HydrophobicContact CB-CG 4.07Å; L343-L390 HydrophobicContact CD1-CB 4.47Å; L343-L390 HydrophobicContact CD1-CD2 4.17Å; L343-L390 HydrophobicContact CD1-CG 4.12Å; L344-L390 HydrophobicContact CD2-CD2 4.46Å; A386-L390 WeakPolarHBondContact O-CB 3.45Å; A386-L390 PolarHBondContact O-N 3.35Å; M387-L390 HydrophobicContact CE-CD2 4.05Å; M387-L390 PolarHBondContact O-N 3.06Å; M387-L390 HydrophobicContact SD-CD2 4.17Å; L390-N393 WeakPolarHBondContact O-CB 3.47Å; L390-N393 PolarHBondContact O-N 3.37Å; L390-K394 WeakPolarHBondContact O-CG 3.43Å; L390-K394 PolarHBondContact O-N 2.83Å
391Y98.6Very high97.9Very high1 Ų131.5 Ų31.50%0.00416%0.157CC..Hα-helixtrans-60.7-46.1176.9-174.9-107.6000112.4M317 L343 L351 F361 P365 M387 L388 Q389 N393 K394 L395 L403M317-Y391 HydrophobicContact CE-CD2 4.07Å; M317-Y391 HydrophobicContact CE-CE2 3.25Å; L343-Y391 HydrophobicContact CD1-CD2 4.14Å; L343-Y391 HydrophobicContact CD2-CD2 3.89Å; L351-Y391 HydrophobicContact CD2-CE2 3.77Å; F361-Y391 HydrophobicContact CD1-CE2 4.47Å; F361-Y391 VanDerWaalsContact CD1-OH 3.3Å; F361-Y391 WeakPolarHBondContact CD1-OH 3.3Å; F361-Y391 PolarHBondContact O-OH 2.96Å; P365-Y391 HydrophobicContact CG-CD1 3.66Å; P365-Y391 HydrophobicContact CG-CE1 3.32Å; M387-Y391 WeakPolarHBondContact O-CB 3.33Å; M387-Y391 PolarHBondContact O-N 2.67Å; L388-Y391 PolarHBondContact O-N 2.96Å; Q389-Y391 VanDerWaalsContact C-N 3.33Å; Q389-Y391 PolarHBondContact O-N 3.18Å; Y391-N393 VanDerWaalsContact C-N 3.26Å; Y391-N393 PolarHBondContact O-N 3.08Å; Y391-K394 PolarHBondContact O-N 3.46Å; Y391-K394 VanDerWaalsContact O-N 3.13Å; Y391-L395 HydrophobicContact CD1-CD1 4.07Å; Y391-L395 HydrophobicContact CE1-CD1 3.7Å; Y391-L395 HydrophobicContact CE1-CG 4.32Å; Y391-L395 PolarHBondContact O-N 2.89Å; Y391-L403 HydrophobicContact CD1-CD2 3.83Å; Y391-L403 HydrophobicContact CE1-CD2 3.87Å
392I98.6Very high97.9Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-55.8-43.9174.5-70.7163.6000110.3L388 Q389 K394 L395 K400 L403 F404 F419 I420L388-I392 HydrophobicContact CD1-CD1 4.39Å; L388-I392 HydrophobicContact CG-CD1 4.11Å; L388-I392 VanDerWaalsContact O-CG1 3.27Å; L388-I392 WeakPolarHBondContact O-CG1 3.13Å; L388-I392 PolarHBondContact O-N 3.06Å; Q389-I392 PolarHBondContact O-N 3.47Å; I392-K394 VanDerWaalsContact C-N 3.28Å; I392-K394 PolarHBondContact O-N 3.05Å; I392-L395 PolarHBondContact O-N 3.29Å; I392-K400 HydrophobicContact CG2-CD 4.37Å; I392-K400 HydrophobicContact CG2-CG 4.33Å; I392-K400 WeakPolarHBondContact O-CE 3.45Å; I392-K400 WeakPolarHBondContact O-CG 3.3Å; I392-L403 HydrophobicContact CG1-CD2 3.97Å; I392-F404 HydrophobicContact CD1-CE1 3.98Å; I392-F404 HydrophobicContact CG1-CE1 4.02Å; I392-F404 HydrophobicContact CG2-CE1 3.76Å; I392-F404 HydrophobicContact CG2-CZ 3.76Å; I392-F419 HydrophobicContact CD1-CE1 3.98Å; I392-F419 HydrophobicContact CD1-CZ 4.36Å; I392-I420 HydrophobicContact CD1-CD1 4.31Å
393N98.3Very high97.9Very high53 Ų5324.1 Ų24.128%0.28313%0.131SC..Hα-helixtrans-62.9-34-179.6-64.3-11.1000112.6S349 Q389 L390 Y391S349-N393 PolarHBondContact N-O 3.3Å; Q389-N393 PolarHBondContact NE2-OD1 3.33Å; Q389-N393 PolarHBondContact O-N 3.03Å; Q389-N393 PolarHBondContact O-ND2 3.5Å; Q389-N393 PolarHBondContact O-OD1 3.38Å; L390-N393 WeakPolarHBondContact O-CB 3.47Å; L390-N393 PolarHBondContact O-N 3.37Å; Y391-N393 VanDerWaalsContact C-N 3.26Å; Y391-N393 PolarHBondContact O-N 3.08Å
394K98.1Very high97.9Very high17 Ų1721.2 Ų21.27%0.07412%0.119CC..Hα-helixtrans-73.3-32179.5-59.1-43.5174.2179.70113.5L343 I346 D348 S349 S350 L351 L390 Y391 I392L343-K394 HydrophobicContact CB-CG 4.45Å; L343-K394 HydrophobicContact CD2-CG 4.08Å; L343-K394 VanDerWaalsContact O-CE 3.26Å; L343-K394 WeakPolarHBondContact O-CE 3.38Å; I346-K394 HydrophobicContact CB-CD 4.33Å; I346-K394 HydrophobicContact CB-CG 4.47Å; I346-K394 HydrophobicContact CG2-CB 4.36Å; I346-K394 HydrophobicContact CG2-CD 4.37Å; I346-K394 HydrophobicContact CG2-CG 4.44Å; I346-K394 WeakPolarHBondContact O-CD 3.34Å; I346-K394 VanDerWaalsContact O-CE 3.25Å; I346-K394 WeakPolarHBondContact O-CE 3.21Å; I346-K394 PolarHBondContact O-NZ 3.44Å; D348-K394 WeakPolarHBondContact OD1-CD 3.5Å; D348-K394 WeakPolarHBondContact OD1-CE 3.17Å; D348-K394 IonicContact OD1-NZ 3.01Å; D348-K394 PolarHBondContact OD1-NZ 2.92Å; S349-K394 CarbonylContact C-O 3.55Å; S349-K394 VanDerWaalsContact CA-O 3.27Å; S349-K394 WeakPolarHBondContact CA-O 3.36Å; S349-K394 PolarHBondContact N-O 2.97Å; S350-K394 PolarHBondContact N-O 3.06Å; S350-K394 VanDerWaalsContact N-O 3.11Å; L351-K394 HydrophobicContact CB-CB 4.3Å; L351-K394 VanDerWaalsContact CB-O 3.27Å; L351-K394 WeakPolarHBondContact CB-O 3.31Å; L351-K394 PolarHBondContact N-O 3.26Å; L390-K394 WeakPolarHBondContact O-CG 3.43Å; L390-K394 PolarHBondContact O-N 2.83Å; Y391-K394 PolarHBondContact O-N 3.46Å; Y391-K394 VanDerWaalsContact O-N 3.13Å; I392-K394 VanDerWaalsContact C-N 3.28Å; I392-K394 PolarHBondContact O-N 3.05Å
395L98.1Very high97.8Very high0 Ų026.9 Ų26.90%014%0.14CC..BIsolated β-bridgetrans-63.7142.4-179.8-75.6167.5000112.5S349 L351 L356 Y391 I392 K400 L403S349-L395 WeakPolarHBondContact CA-O 3.31Å; L351-L395 HydrophobicContact CB-CD2 4.35Å; L351-L395 HydrophobicContact CD2-CD2 3.71Å; L351-L395 HydrophobicContact CD2-CG 4.21Å; L351-L395 HydrophobicContact CG-CD2 3.89Å; L351-L395 CarbonylContact O-C 3.58Å; L351-L395 WeakPolarHBondContact O-CA 3.5Å; L356-L395 HydrophobicContact CD2-CD2 3.94Å; L356-L395 HydrophobicContact CG-CD2 4.33Å; Y391-L395 HydrophobicContact CD1-CD1 4.07Å; Y391-L395 HydrophobicContact CE1-CD1 3.7Å; Y391-L395 HydrophobicContact CE1-CG 4.32Å; Y391-L395 PolarHBondContact O-N 2.89Å; I392-L395 PolarHBondContact O-N 3.29Å; L395-K400 HydrophobicContact CB-CG 3.88Å; L395-K400 WeakPolarHBondContact O-CE 3.46Å; L395-K400 PolarHBondContact O-NZ 3.36Å; L395-L403 HydrophobicContact CD1-CB 4.11Å; L395-L403 HydrophobicContact CD1-CD2 3.59Å; L395-L403 HydrophobicContact CD1-CG 4.45Å
396D95.8Very high97.8Very high26 Ų2625 Ų2514%0.13913%0.132CC..  trans-63.5172.9166.473.7-2.4000111.1L351 L352 Y353 Q398 G399 K400L351-D396 PolarHBondContact O-N 3.46Å; L352-D396 WeakPolarHBondContact CA-OD2 3.3Å; Y353-D396 PolarHBondContact N-OD1 3.35Å; Y353-D396 PolarHBondContact N-OD2 3Å; Y353-D396 VanDerWaalsContact N-OD2 3.13Å; D396-Q398 PolarHBondContact O-N 3.07Å; D396-G399 PolarHBondContact O-N 2.94Å; D396-G399 WeakPolarHBondContact OD1-CA 3.43Å; D396-G399 PolarHBondContact OD1-N 3.43Å; D396-K400 WeakPolarHBondContact O-CG 3.46Å; D396-K400 PolarHBondContact O-N 3.02Å
397S95Very high97.7Very high23 Ų2322.5 Ų22.516%0.16111%0.112CC..Hα-helixtrans-62.9-42.4-173.3-1720000113.4K400 Y401 N438 F441S397-K400 PolarHBondContact O-N 3.43Å; S397-Y401 PolarHBondContact O-N 3.07Å; S397-N438 WeakPolarHBondContact CB-OD1 3.43Å; S397-N438 PolarHBondContact OG-ND2 2.96Å; S397-N438 PolarHBondContact OG-OD1 3.07Å; S397-F441 WeakPolarHBondContact O-CE2 3.42Å; S397-F441 WeakPolarHBondContact OG-CD2 3.42Å; S397-F441 WeakPolarHBondContact OG-CE2 3.26Å
398Q95.9Very high97.6Very high51 Ų5122.6 Ų22.624%0.23811%0.112CC..Hα-helixtrans-64.2-43.1177.4-176169.7-23.800111.2Y353 D396 K400 Y401 T402 W440Y353-Q398 HydrophobicContact CD1-CB 4.26Å; Y353-Q398 HydrophobicContact CD1-CG 4.17Å; Y353-Q398 HydrophobicContact CD2-CG 4.44Å; Y353-Q398 HydrophobicContact CG-CB 4.26Å; Y353-Q398 HydrophobicContact CG-CG 3.9Å; D396-Q398 PolarHBondContact O-N 3.07Å; Q398-K400 VanDerWaalsContact C-N 3.35Å; Q398-K400 PolarHBondContact O-N 2.67Å; Q398-Y401 WeakPolarHBondContact O-CB 3.45Å; Q398-Y401 PolarHBondContact O-N 2.78Å; Q398-T402 PolarHBondContact O-N 3.16Å; Q398-T402 PolarHBondContact O-OG1 3.44Å; Q398-W440 HydrophobicContact CB-CD2 4.36Å; Q398-W440 HydrophobicContact CB-CG 4.38Å; Q398-W440 HydrophobicContact CB-CZ2 4.31Å; Q398-W440 HydrophobicContact CG-CD2 4.21Å; Q398-W440 HydrophobicContact CG-CH2 4.23Å; Q398-W440 HydrophobicContact CG-CZ2 3.55Å
399G97.3Very high97.4Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-61-42.6176.900000112.1L356 D396 T402 L403L356-G399 WeakPolarHBondContact CD1-O 3.08Å; D396-G399 PolarHBondContact O-N 2.94Å; D396-G399 WeakPolarHBondContact OD1-CA 3.43Å; D396-G399 PolarHBondContact OD1-N 3.43Å; G399-T402 PolarHBondContact O-N 2.95Å; G399-L403 WeakPolarHBondContact O-CB 3.45Å; G399-L403 PolarHBondContact O-N 2.83Å
400K98.1Very high97.2Very high5 Ų528.1 Ų28.12%0.02215%0.146CC..Hα-helixtrans-57.8-49.4172.3-70.3-177-174.982.70111.3S349 I392 L395 D396 S397 Q398 T402 L403 F404 Q427 F441S349-K400 PolarHBondContact OG-NZ 3.23Å; S349-K400 VanDerWaalsContact OG-NZ 3.15Å; I392-K400 HydrophobicContact CG2-CD 4.37Å; I392-K400 HydrophobicContact CG2-CG 4.33Å; I392-K400 WeakPolarHBondContact O-CE 3.45Å; I392-K400 WeakPolarHBondContact O-CG 3.3Å; L395-K400 HydrophobicContact CB-CG 3.88Å; L395-K400 WeakPolarHBondContact O-CE 3.46Å; L395-K400 PolarHBondContact O-NZ 3.36Å; D396-K400 WeakPolarHBondContact O-CG 3.46Å; D396-K400 PolarHBondContact O-N 3.02Å; S397-K400 PolarHBondContact O-N 3.43Å; Q398-K400 VanDerWaalsContact C-N 3.35Å; Q398-K400 PolarHBondContact O-N 2.67Å; K400-T402 PolarHBondContact O-N 3.02Å; K400-L403 PolarHBondContact O-N 3.28Å; K400-F404 HydrophobicContact CB-CE2 3.94Å; K400-F404 HydrophobicContact CB-CZ 3.97Å; K400-F404 HydrophobicContact CG-CZ 4.44Å; K400-F404 WeakPolarHBondContact O-CB 3.48Å; K400-F404 WeakPolarHBondContact O-CD1 3.02Å; K400-F404 VanDerWaalsContact O-CD2 3.26Å; K400-F404 WeakPolarHBondContact O-CD2 3.49Å; K400-F404 WeakPolarHBondContact O-CG 3.38Å; K400-F404 PolarHBondContact O-N 3.38Å; K400-Q427 HydrophobicContact CD-CG 3.87Å; K400-Q427 VanDerWaalsContact CD-OE1 3.32Å; K400-F441 HydrophobicContact CB-CE2 4.32Å; K400-F441 HydrophobicContact CB-CZ 4.04Å
401Y97.7Very high96.7Very high12 Ų1227.6 Ų27.65%0.04715%0.145CC..Hα-helixtrans-56.7-49.3178.5178.7-86.4000111.9S397 Q398 L403 F404 R405 W440 F441 Q445 L449S397-Y401 PolarHBondContact O-N 3.07Å; Q398-Y401 WeakPolarHBondContact O-CB 3.45Å; Q398-Y401 PolarHBondContact O-N 2.78Å; Y401-L403 PolarHBondContact O-N 3.22Å; Y401-F404 PolarHBondContact O-N 2.88Å; Y401-R405 WeakPolarHBondContact O-CB 3.49Å; Y401-R405 PolarHBondContact O-N 3.31Å; Y401-W440 AromaticContact CD1-CE3 3.81Å; Y401-W440 HydrophobicContact CD1-CE3 3.81Å; Y401-W440 HydrophobicContact CD1-CZ3 4.07Å; Y401-W440 HydrophobicContact CD2-CB 4.44Å; Y401-W440 HydrophobicContact CD2-CE3 4.3Å; Y401-W440 VanDerWaalsContact CD2-O 3.24Å; Y401-W440 WeakPolarHBondContact CD2-O 3.45Å; Y401-W440 HydrophobicContact CE1-CE3 4.09Å; Y401-W440 HydrophobicContact CE1-CZ3 4.11Å; Y401-W440 HydrophobicContact CG-CB 4.49Å; Y401-W440 AromaticContact CG-CE3 3.93Å; Y401-W440 HydrophobicContact CG-CE3 3.93Å; Y401-F441 HydrophobicContact CD2-CE1 4.4Å; Y401-Q445 HydrophobicContact CE2-CB 4.22Å; Y401-Q445 VanDerWaalsContact CE2-O 3.29Å; Y401-Q445 WeakPolarHBondContact CE2-O 3.48Å; Y401-Q445 PolarHBondContact OH-O 3.07Å; Y401-Q445 PolarHBondContact OH-OE1 2.93Å; Y401-L449 HydrophobicContact CD2-CD2 3.95Å; Y401-L449 HydrophobicContact CE2-CB 3.78Å; Y401-L449 HydrophobicContact CE2-CD1 4.41Å; Y401-L449 HydrophobicContact CE2-CD2 3.98Å; Y401-L449 HydrophobicContact CE2-CG 4.29Å
402T97.5Very high96.3Very high53 Ų5334.6 Ų34.633%0.32518%0.183SC..Hα-helixtrans-61.1-44.1177.9-60.20000111.9L356 Q398 G399 K400 R405 C406L356-T402 HydrophobicContact CD1-CG2 3.86Å; Q398-T402 PolarHBondContact O-N 3.16Å; Q398-T402 PolarHBondContact O-OG1 3.44Å; G399-T402 PolarHBondContact O-N 2.95Å; K400-T402 PolarHBondContact O-N 3.02Å; T402-R405 PolarHBondContact O-N 3.28Å; T402-C406 WeakPolarHBondContact O-CB 3.24Å; T402-C406 PolarHBondContact O-N 3.48Å
403L98.2Very high96.1Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-64.7-44.9178.5-179.465.2000111.7L362 P365 Y391 I392 L395 G399 K400 Y401 R405 C406 L407L362-L403 HydrophobicContact CD2-CD1 4.22Å; P365-L403 HydrophobicContact CB-CD1 3.85Å; P365-L403 HydrophobicContact CG-CD1 3.94Å; Y391-L403 HydrophobicContact CD1-CD2 3.83Å; Y391-L403 HydrophobicContact CE1-CD2 3.87Å; I392-L403 HydrophobicContact CG1-CD2 3.97Å; L395-L403 HydrophobicContact CD1-CB 4.11Å; L395-L403 HydrophobicContact CD1-CD2 3.59Å; L395-L403 HydrophobicContact CD1-CG 4.45Å; G399-L403 WeakPolarHBondContact O-CB 3.45Å; G399-L403 PolarHBondContact O-N 2.83Å; K400-L403 PolarHBondContact O-N 3.28Å; Y401-L403 PolarHBondContact O-N 3.22Å; L403-R405 VanDerWaalsContact C-N 3.34Å; L403-R405 PolarHBondContact O-N 2.79Å; L403-C406 WeakPolarHBondContact O-CB 3.44Å; L403-C406 PolarHBondContact O-N 2.97Å; L403-C406 VanDerWaalsContact O-N 3.12Å; L403-L407 HydrophobicContact CD1-CD1 3.98Å; L403-L407 HydrophobicContact CD1-CG 4.01Å; L403-L407 HydrophobicContact CD2-CD1 4.4Å; L403-L407 HydrophobicContact CG-CD1 3.92Å; L403-L407 HydrophobicContact CG-CG 4.28Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 3.37Å
404F98.4Very high95.9Very high0 Ų036.8 Ų36.80%019%0.193CC..Hα-helixtrans-60.7-45.2178.5-61.6-22.9000111.5I392 K400 Y401 C406 L407 L408 I420 N423 I424 Q427 F441I392-F404 HydrophobicContact CD1-CE1 3.98Å; I392-F404 HydrophobicContact CG1-CE1 4.02Å; I392-F404 HydrophobicContact CG2-CE1 3.76Å; I392-F404 HydrophobicContact CG2-CZ 3.76Å; K400-F404 HydrophobicContact CB-CE2 3.94Å; K400-F404 HydrophobicContact CB-CZ 3.97Å; K400-F404 HydrophobicContact CG-CZ 4.44Å; K400-F404 WeakPolarHBondContact O-CB 3.48Å; K400-F404 WeakPolarHBondContact O-CD1 3.02Å; K400-F404 VanDerWaalsContact O-CD2 3.26Å; K400-F404 WeakPolarHBondContact O-CD2 3.49Å; K400-F404 WeakPolarHBondContact O-CG 3.38Å; K400-F404 PolarHBondContact O-N 3.38Å; Y401-F404 PolarHBondContact O-N 2.88Å; F404-C406 VanDerWaalsContact C-N 3.26Å; F404-C406 PolarHBondContact O-N 3.27Å; F404-L407 PolarHBondContact O-N 3.45Å; F404-L408 WeakPolarHBondContact O-CB 3.48Å; F404-L408 WeakPolarHBondContact O-CG 3.38Å; F404-L408 PolarHBondContact O-N 3.12Å; F404-I420 HydrophobicContact CB-CG2 3.7Å; F404-I420 HydrophobicContact CD1-CD1 4.32Å; F404-I420 HydrophobicContact CD1-CG2 3.77Å; F404-I420 HydrophobicContact CG-CG2 3.87Å; F404-N423 HydrophobicContact CE1-CB 3.96Å; F404-N423 HydrophobicContact CE2-CB 4.46Å; F404-N423 HydrophobicContact CZ-CB 3.73Å; F404-I424 HydrophobicContact CB-CD1 4.23Å; F404-I424 HydrophobicContact CB-CG1 4.22Å; F404-I424 HydrophobicContact CD2-CD1 4.41Å; F404-I424 HydrophobicContact CD2-CG1 3.51Å; F404-I424 HydrophobicContact CE2-CG1 4.06Å; F404-I424 HydrophobicContact CG-CG1 4.02Å; F404-Q427 HydrophobicContact CE2-CG 3.96Å; F404-Q427 HydrophobicContact CZ-CG 4.37Å; F404-F441 AromaticContact CD2-CE1 3.75Å; F404-F441 HydrophobicContact CD2-CE1 3.75Å; F404-F441 AromaticContact CD2-CZ 3.83Å; F404-F441 HydrophobicContact CD2-CZ 3.83Å; F404-F441 AromaticContact CE2-CE1 3.78Å; F404-F441 HydrophobicContact CE2-CE1 3.78Å; F404-F441 AromaticContact CE2-CZ 3.66Å; F404-F441 HydrophobicContact CE2-CZ 3.66Å
405R97.6Very high95.8Very high118 Ų11837.1 Ų37.145%0.44520%0.201SC..Hα-helixtrans-59-39.4174.7-168.7172.7-170.8-77.9-2.7111.9Y401 T402 L403 N409 L449 L452Y401-R405 WeakPolarHBondContact O-CB 3.49Å; Y401-R405 PolarHBondContact O-N 3.31Å; T402-R405 PolarHBondContact O-N 3.28Å; L403-R405 VanDerWaalsContact C-N 3.34Å; L403-R405 PolarHBondContact O-N 2.79Å; R405-N409 PolarHBondContact O-ND2 3.47Å; R405-L449 HydrophobicContact CB-CD1 4.31Å; R405-L452 HydrophobicContact CB-CD1 4.48Å; R405-L452 HydrophobicContact CG-CD1 3.57Å
406C97.1Very high95.7Very high28 Ų2837.4 Ų37.419%0.18920%0.203CC..Hα-helixtrans-65.6-50.5176.2-178.80000111.6L362 T402 L403 F404 N409 T410L362-C406 HydrophobicContact CD2-CB 4.44Å; T402-C406 WeakPolarHBondContact O-CB 3.24Å; T402-C406 PolarHBondContact O-N 3.48Å; L403-C406 WeakPolarHBondContact O-CB 3.44Å; L403-C406 PolarHBondContact O-N 2.97Å; L403-C406 VanDerWaalsContact O-N 3.12Å; F404-C406 VanDerWaalsContact C-N 3.26Å; F404-C406 PolarHBondContact O-N 3.27Å; C406-N409 PolarHBondContact O-N 3.45Å; C406-T410 WeakPolarHBondContact O-CB 3.21Å; C406-T410 WeakPolarHBondContact O-CG2 3.24Å; C406-T410 PolarHBondContact O-N 3.48Å; C406-T410 VanDerWaalsContact O-N 3.1Å; C406-T410 PolarHBondContact O-OG1 3.01Å
407L97.2Very high95.8Very high1 Ų136.5 Ų36.51%0.00520%0.198CC..Hα-helixtrans-69.7-36-174.7-67179.6000113P365 Q366 V369 L388 L403 F404 N409 T410 S411 I420P365-L407 HydrophobicContact CB-CD2 4.46Å; Q366-L407 HydrophobicContact CG-CD2 4.13Å; V369-L407 HydrophobicContact CG2-CD2 4.26Å; L388-L407 HydrophobicContact CD1-CD1 4.16Å; L403-L407 HydrophobicContact CD1-CD1 3.98Å; L403-L407 HydrophobicContact CD1-CG 4.01Å; L403-L407 HydrophobicContact CD2-CD1 4.4Å; L403-L407 HydrophobicContact CG-CD1 3.92Å; L403-L407 HydrophobicContact CG-CG 4.28Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 3.37Å; F404-L407 PolarHBondContact O-N 3.45Å; L407-N409 PolarHBondContact O-N 3.5Å; L407-T410 PolarHBondContact O-N 3.04Å; L407-S411 VanDerWaalsContact O-CB 3.23Å; L407-S411 WeakPolarHBondContact O-CB 3.39Å; L407-S411 PolarHBondContact O-N 2.87Å; L407-S411 PolarHBondContact O-OG 2.65Å; L407-I420 HydrophobicContact CB-CD1 4.3Å; L407-I420 HydrophobicContact CB-CG1 4.15Å; L407-I420 HydrophobicContact CD1-CD1 3.7Å; L407-I420 HydrophobicContact CD1-CG1 4.42Å
408L96.5Very high96Very high9 Ų936.2 Ų36.25%0.04720%0.196CC..Hα-helixtrans-60.9-31.5172.8-74172.5000112.5F404 E417 I420 I421 I424 L449 L452 V453F404-L408 WeakPolarHBondContact O-CB 3.48Å; F404-L408 WeakPolarHBondContact O-CG 3.38Å; F404-L408 PolarHBondContact O-N 3.12Å; L408-E417 HydrophobicContact CD2-CB 4.05Å; L408-E417 HydrophobicContact CD2-CG 4.24Å; L408-I420 HydrophobicContact CD1-CG2 4.39Å; L408-I420 HydrophobicContact CD2-CB 4.27Å; L408-I420 HydrophobicContact CD2-CG2 4.16Å; L408-I420 HydrophobicContact CG-CG2 3.94Å; L408-I421 HydrophobicContact CD2-CG1 4.34Å; L408-I424 HydrophobicContact CD1-CD1 3.94Å; L408-L449 HydrophobicContact CD1-CD1 4.26Å; L408-L452 HydrophobicContact CD1-CB 4.32Å; L408-V453 HydrophobicContact CD1-CG2 3.75Å
409N93.9Very high96.1Very high92 Ų9235.8 Ų35.849%0.49219%0.194SC..Hα-helixtrans-91.2-12.3-179.8-71.7-45.8000114.1R405 C406 L407R405-N409 PolarHBondContact O-ND2 3.47Å; C406-N409 PolarHBondContact O-N 3.45Å; L407-N409 PolarHBondContact O-N 3.5Å
410T94Very high96.1Very high72 Ų7235.8 Ų35.844%0.44219%0.194SC..Hα-helixtrans-124-19.9-170.155.90000114.8C406 L407C406-T410 WeakPolarHBondContact O-CB 3.21Å; C406-T410 WeakPolarHBondContact O-CG2 3.24Å; C406-T410 PolarHBondContact O-N 3.48Å; C406-T410 VanDerWaalsContact O-N 3.1Å; C406-T410 PolarHBondContact O-OG1 3.01Å; L407-T410 PolarHBondContact O-N 3.04Å
411S89.5Confident96.2Very high18 Ų1835.6 Ų35.613%0.12619%0.193CC..  trans-75-34-174.959.30000113.8L407 H413 E417L407-S411 VanDerWaalsContact O-CB 3.23Å; L407-S411 WeakPolarHBondContact O-CB 3.39Å; L407-S411 PolarHBondContact O-N 2.87Å; L407-S411 PolarHBondContact O-OG 2.65Å; S411-H413 PolarHBondContact O-N 2.93Å; S411-E417 WeakPolarHBondContact OG-CG 3.37Å
412N89.9Confident96.2Very high149 Ų14938.7 Ų38.780%0.79721%0.208SC*.  trans48.740.8-179.9-163.758.9000112.8E417N412-E417 PolarHBondContact N-OE1 3.34Å
413H94.5Very high96.3Very high79 Ų7936.3 Ų36.337%0.36619%0.193SC..  trans-145.9110.9-178.3-174.4-63.8000109.6T373 S411 G415 V416 E417T373-H413 HydrophobicContact CG2-CB 4.35Å; T373-H413 VanDerWaalsContact CG2-CD2 3.42Å; T373-H413 WeakPolarHBondContact CG2-CD2 3.02Å; S411-H413 PolarHBondContact O-N 2.93Å; H413-G415 VanDerWaalsContact C-N 3.32Å; H413-G415 PolarHBondContact ND1-N 2.9Å; H413-G415 PolarHBondContact O-N 2.92Å; H413-V416 HydrophobicContact CB-CB 4.28Å; H413-V416 HydrophobicContact CB-CG2 4.15Å; H413-V416 PolarHBondContact ND1-N 3.42Å; H413-V416 PolarHBondContact O-N 3.37Å; H413-E417 PolarHBondContact N-OE1 2.94Å; H413-E417 WeakPolarHBondContact O-CG 3.49Å; H413-E417 PolarHBondContact O-N 3Å
414S94.3Very high96.3Very high20 Ų2036.3 Ų36.314%0.1419%0.193CC..Hα-helixtrans-54.2-42.3-17255.80000113.7V416 E417 A418 Q466S414-V416 PolarHBondContact O-N 3.23Å; S414-E417 PolarHBondContact O-N 3.48Å; S414-A418 VanDerWaalsContact O-CB 3.31Å; S414-A418 WeakPolarHBondContact O-CB 3.43Å; S414-A418 PolarHBondContact O-N 3.15Å; S414-Q466 WeakPolarHBondContact CB-O 3.18Å; S414-Q466 PolarHBondContact OG-O 2.84Å
415G95.6Very high96.2Very high23 Ų2338.7 Ų38.724%0.23720%0.204CC..Hα-helixtrans-64.8-32.8175.800000114.9H413 F419H413-G415 VanDerWaalsContact C-N 3.32Å; H413-G415 PolarHBondContact ND1-N 2.9Å; H413-G415 PolarHBondContact O-N 2.92Å; G415-F419 PolarHBondContact O-N 3.47Å; G415-F419 VanDerWaalsContact O-N 3.15Å
416V96.8Very high96.2Very high6 Ų636.1 Ų36.14%0.03620%0.199CC..Hα-helixtrans-75.8-42.1176.5175.60000109.5V369 M372 T373 H413 S414 A418 F419 I420V369-V416 HydrophobicContact CG1-CG1 4.14Å; V369-V416 HydrophobicContact CG1-CG2 4.28Å; V369-V416 HydrophobicContact CG2-CG1 3.92Å; M372-V416 HydrophobicContact CE-CG2 4.25Å; T373-V416 HydrophobicContact CG2-CG2 3.92Å; H413-V416 HydrophobicContact CB-CB 4.28Å; H413-V416 HydrophobicContact CB-CG2 4.15Å; H413-V416 PolarHBondContact ND1-N 3.42Å; H413-V416 PolarHBondContact O-N 3.37Å; S414-V416 PolarHBondContact O-N 3.23Å; V416-A418 VanDerWaalsContact C-N 3.32Å; V416-A418 PolarHBondContact O-N 2.77Å; V416-F419 WeakPolarHBondContact O-CA 3.47Å; V416-F419 WeakPolarHBondContact O-CB 3.34Å; V416-F419 PolarHBondContact O-N 3.29Å; V416-F419 VanDerWaalsContact O-N 3.12Å; V416-I420 WeakPolarHBondContact O-CG1 3.31Å; V416-I420 PolarHBondContact O-N 2.86Å
417E97.5Very high96.1Very high8 Ų835.3 Ų35.34%0.03719%0.192CC..Hα-helixtrans-60.5-42.7174.9-66.3167.4-166.400111L408 S411 N412 H413 S414 F419 I420 I421 R470L408-E417 HydrophobicContact CD2-CB 4.05Å; L408-E417 HydrophobicContact CD2-CG 4.24Å; S411-E417 WeakPolarHBondContact OG-CG 3.37Å; N412-E417 PolarHBondContact N-OE1 3.34Å; H413-E417 PolarHBondContact N-OE1 2.94Å; H413-E417 WeakPolarHBondContact O-CG 3.49Å; H413-E417 PolarHBondContact O-N 3Å; S414-E417 PolarHBondContact O-N 3.48Å; E417-F419 VanDerWaalsContact C-N 3.31Å; E417-F419 PolarHBondContact O-N 2.92Å; E417-I420 PolarHBondContact O-N 3.11Å; E417-I420 VanDerWaalsContact O-N 3.1Å; E417-I421 VanDerWaalsContact O-CG1 3.24Å; E417-I421 WeakPolarHBondContact O-CG1 3.25Å; E417-I421 PolarHBondContact O-N 3.11Å; E417-R470 HydrophobicContact CB-CG 4.15Å; E417-R470 IonicContact OE1-NH1 3.5Å; E417-R470 WeakPolarHBondContact OE2-CD 3.42Å; E417-R470 IonicContact OE2-CZ 2.82Å; E417-R470 IonicContact OE2-NE 3.95Å; E417-R470 PolarHBondContact OE2-NE 3.01Å; E417-R470 IonicContact OE2-NH1 3.34Å; E417-R470 PolarHBondContact OE2-NH1 3.24Å
418A98.1Very high96Very high16 Ų1635.3 Ų35.313%0.13219%0.192CC..Hα-helixtrans-57.3-42.2172.300000112.4S414 V416 I421 Q422 D469 A473S414-A418 VanDerWaalsContact O-CB 3.31Å; S414-A418 WeakPolarHBondContact O-CB 3.43Å; S414-A418 PolarHBondContact O-N 3.15Å; V416-A418 VanDerWaalsContact C-N 3.32Å; V416-A418 PolarHBondContact O-N 2.77Å; A418-I421 PolarHBondContact O-N 3.28Å; A418-Q422 WeakPolarHBondContact O-CB 3.49Å; A418-Q422 PolarHBondContact O-N 3.04Å; A418-D469 HydrophobicContact CB-CB 4.11Å; A418-D469 WeakPolarHBondContact CB-O 3.47Å; A418-A473 HydrophobicContact CB-CB 3.78Å
419F98.4Very high95.8Very high43 Ų4336.8 Ų36.819%0.18920%0.2CC..Hα-helixtrans-63.8-38.9174.3168.3-99.1000112.8L385 L388 Q389 I392 G415 V416 E417 Q422 N423L385-F419 HydrophobicContact CD1-CD1 4.17Å; L385-F419 HydrophobicContact CD1-CD2 3.88Å; L385-F419 HydrophobicContact CD1-CE1 4.02Å; L385-F419 HydrophobicContact CD1-CE2 3.72Å; L385-F419 HydrophobicContact CD1-CG 4.1Å; L385-F419 HydrophobicContact CD1-CZ 3.78Å; L388-F419 HydrophobicContact CD2-CD1 4.33Å; L388-F419 HydrophobicContact CD2-CE1 3.85Å; L388-F419 HydrophobicContact CG-CE1 4.15Å; Q389-F419 HydrophobicContact CB-CZ 4.09Å; I392-F419 HydrophobicContact CD1-CE1 3.98Å; I392-F419 HydrophobicContact CD1-CZ 4.36Å; G415-F419 PolarHBondContact O-N 3.47Å; G415-F419 VanDerWaalsContact O-N 3.15Å; V416-F419 WeakPolarHBondContact O-CA 3.47Å; V416-F419 WeakPolarHBondContact O-CB 3.34Å; V416-F419 PolarHBondContact O-N 3.29Å; V416-F419 VanDerWaalsContact O-N 3.12Å; E417-F419 VanDerWaalsContact C-N 3.31Å; E417-F419 PolarHBondContact O-N 2.92Å; F419-Q422 PolarHBondContact O-N 3.22Å; F419-N423 WeakPolarHBondContact CE2-ND2 3.5Å; F419-N423 VanDerWaalsContact CZ-ND2 3.31Å; F419-N423 WeakPolarHBondContact CZ-ND2 3.42Å; F419-N423 PolarHBondContact O-N 3.44Å; F419-N423 VanDerWaalsContact O-N 3.11Å; F419-N423 PolarHBondContact O-ND2 3.12Å; F419-N423 VanDerWaalsContact O-ND2 3.11Å
420I98.6Very high95.7Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-66.7-43.1174-61.6-55.2000110.9I392 F404 L407 L408 V416 E417 Q422 N423 I424I392-I420 HydrophobicContact CD1-CD1 4.31Å; F404-I420 HydrophobicContact CB-CG2 3.7Å; F404-I420 HydrophobicContact CD1-CD1 4.32Å; F404-I420 HydrophobicContact CD1-CG2 3.77Å; F404-I420 HydrophobicContact CG-CG2 3.87Å; L407-I420 HydrophobicContact CB-CD1 4.3Å; L407-I420 HydrophobicContact CB-CG1 4.15Å; L407-I420 HydrophobicContact CD1-CD1 3.7Å; L407-I420 HydrophobicContact CD1-CG1 4.42Å; L408-I420 HydrophobicContact CD1-CG2 4.39Å; L408-I420 HydrophobicContact CD2-CB 4.27Å; L408-I420 HydrophobicContact CD2-CG2 4.16Å; L408-I420 HydrophobicContact CG-CG2 3.94Å; V416-I420 WeakPolarHBondContact O-CG1 3.31Å; V416-I420 PolarHBondContact O-N 2.86Å; E417-I420 PolarHBondContact O-N 3.11Å; E417-I420 VanDerWaalsContact O-N 3.1Å; I420-Q422 VanDerWaalsContact C-N 3.29Å; I420-Q422 PolarHBondContact O-N 3.43Å; I420-N423 CarbonylContact O-C 3.56Å; I420-N423 WeakPolarHBondContact O-CA 3.21Å; I420-N423 WeakPolarHBondContact O-CB 3.31Å; I420-N423 PolarHBondContact O-N 2.94Å; I420-I424 HydrophobicContact CG2-CD1 4.1Å; I420-I424 HydrophobicContact CG2-CG1 4.46Å; I420-I424 WeakPolarHBondContact O-CG1 3.38Å; I420-I424 PolarHBondContact O-N 3.45Å
421I98.6Very high95.6Very high1 Ų132.6 Ų32.61%0.00517%0.174CC..Hα-helixtrans-59.1-41.3175.7-66.6162.7000111.1L408 E417 A418 N423 I424 K425 V453 R470 A473 S474 L477L408-I421 HydrophobicContact CD2-CG1 4.34Å; E417-I421 VanDerWaalsContact O-CG1 3.24Å; E417-I421 WeakPolarHBondContact O-CG1 3.25Å; E417-I421 PolarHBondContact O-N 3.11Å; A418-I421 PolarHBondContact O-N 3.28Å; I421-N423 VanDerWaalsContact C-N 3.32Å; I421-N423 PolarHBondContact O-N 3.1Å; I421-I424 WeakPolarHBondContact O-CB 3.44Å; I421-I424 PolarHBondContact O-N 3.04Å; I421-K425 PolarHBondContact O-N 3.07Å; I421-V453 HydrophobicContact CD1-CG1 3.75Å; I421-V453 HydrophobicContact CG1-CB 4.4Å; I421-V453 HydrophobicContact CG1-CG1 3.67Å; I421-V453 HydrophobicContact CG1-CG2 3.93Å; I421-V453 HydrophobicContact CG2-CG1 4.03Å; I421-R470 HydrophobicContact CD1-CG 3.87Å; I421-A473 HydrophobicContact CB-CB 3.96Å; I421-A473 HydrophobicContact CD1-CB 4.12Å; I421-A473 HydrophobicContact CG2-CB 3.82Å; I421-S474 WeakPolarHBondContact CD1-OG 3.49Å; I421-L477 HydrophobicContact CG2-CB 4.05Å; I421-L477 HydrophobicContact CG2-CD2 4.01Å
422Q98.4Very high95.5Very high77 Ų7733.9 Ų33.936%0.3618%0.179SC..Hα-helixtrans-62.3-38.5174.5178.15365.100112.1A418 F419 I420 K425 N426A418-Q422 WeakPolarHBondContact O-CB 3.49Å; A418-Q422 PolarHBondContact O-N 3.04Å; F419-Q422 PolarHBondContact O-N 3.22Å; I420-Q422 VanDerWaalsContact C-N 3.29Å; I420-Q422 PolarHBondContact O-N 3.43Å; Q422-K425 WeakPolarHBondContact O-CB 3.49Å; Q422-K425 PolarHBondContact O-N 3.27Å; Q422-N426 PolarHBondContact NE2-OD1 3.16Å; Q422-N426 VanDerWaalsContact O-CG 3.22Å; Q422-N426 PolarHBondContact O-N 3.41Å; Q422-N426 VanDerWaalsContact O-N 3.15Å; Q422-N426 PolarHBondContact O-ND2 2.73Å; Q422-N426 PolarHBondContact O-OD1 3.42Å
423N98.4Very high95.3Very high3 Ų333.7 Ų33.72%0.01617%0.172CC..Hα-helixtrans-68.9-37.2173.6-88-79.1000112.8Q389 F404 F419 I420 I421 N426 Q427Q389-N423 PolarHBondContact NE2-OD1 3.48Å; Q389-N423 PolarHBondContact OE1-ND2 3.2Å; Q389-N423 PolarHBondContact OE1-OD1 3.44Å; F404-N423 HydrophobicContact CE1-CB 3.96Å; F404-N423 HydrophobicContact CE2-CB 4.46Å; F404-N423 HydrophobicContact CZ-CB 3.73Å; F419-N423 WeakPolarHBondContact CE2-ND2 3.5Å; F419-N423 VanDerWaalsContact CZ-ND2 3.31Å; F419-N423 WeakPolarHBondContact CZ-ND2 3.42Å; F419-N423 PolarHBondContact O-N 3.44Å; F419-N423 VanDerWaalsContact O-N 3.11Å; F419-N423 PolarHBondContact O-ND2 3.12Å; F419-N423 VanDerWaalsContact O-ND2 3.11Å; I420-N423 CarbonylContact O-C 3.56Å; I420-N423 WeakPolarHBondContact O-CA 3.21Å; I420-N423 WeakPolarHBondContact O-CB 3.31Å; I420-N423 PolarHBondContact O-N 2.94Å; I421-N423 VanDerWaalsContact C-N 3.32Å; I421-N423 PolarHBondContact O-N 3.1Å; N423-N426 WeakPolarHBondContact O-CB 3.23Å; N423-N426 PolarHBondContact O-N 3.18Å; N423-Q427 PolarHBondContact O-N 3.26Å
424I98.3Very high94.3Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-58.5-49.2172.2-69167.5000110F404 L408 I420 I421 N426 Q427 I428 L449 V453 L477F404-I424 HydrophobicContact CB-CD1 4.23Å; F404-I424 HydrophobicContact CB-CG1 4.22Å; F404-I424 HydrophobicContact CD2-CD1 4.41Å; F404-I424 HydrophobicContact CD2-CG1 3.51Å; F404-I424 HydrophobicContact CE2-CG1 4.06Å; F404-I424 HydrophobicContact CG-CG1 4.02Å; L408-I424 HydrophobicContact CD1-CD1 3.94Å; I420-I424 HydrophobicContact CG2-CD1 4.1Å; I420-I424 HydrophobicContact CG2-CG1 4.46Å; I420-I424 WeakPolarHBondContact O-CG1 3.38Å; I420-I424 PolarHBondContact O-N 3.45Å; I421-I424 WeakPolarHBondContact O-CB 3.44Å; I421-I424 PolarHBondContact O-N 3.04Å; I424-N426 VanDerWaalsContact C-N 3.27Å; I424-N426 PolarHBondContact O-N 3.17Å; I424-Q427 PolarHBondContact O-N 2.99Å; I424-Q427 VanDerWaalsContact O-N 3.07Å; I424-I428 HydrophobicContact CG2-CD1 3.72Å; I424-I428 HydrophobicContact CG2-CG1 4.38Å; I424-I428 VanDerWaalsContact O-CG1 3.31Å; I424-I428 WeakPolarHBondContact O-CG1 3.48Å; I424-I428 PolarHBondContact O-N 3.4Å; I424-L449 HydrophobicContact CD1-CD1 4.28Å; I424-L449 HydrophobicContact CD1-CD2 3.72Å; I424-L449 HydrophobicContact CD1-CG 3.94Å; I424-L449 HydrophobicContact CG1-CD2 3.84Å; I424-L449 HydrophobicContact CG2-CD2 3.96Å; I424-V453 HydrophobicContact CD1-CG2 3.96Å; I424-L477 HydrophobicContact CG2-CD2 4.34Å
425K97.7Very high92.6Very high49 Ų4943.7 Ų43.721%0.21322%0.219CC..Hα-helixtrans-53.7-44.3175.6-168.1-172.978-166.90112.1I421 Q422 I428 D429 L477 Y480I421-K425 PolarHBondContact O-N 3.07Å; Q422-K425 WeakPolarHBondContact O-CB 3.49Å; Q422-K425 PolarHBondContact O-N 3.27Å; K425-I428 PolarHBondContact O-N 3.09Å; K425-D429 PolarHBondContact O-N 3.46Å; K425-L477 HydrophobicContact CB-CD1 3.87Å; K425-L477 HydrophobicContact CG-CD1 3.95Å; K425-Y480 HydrophobicContact CD-CG 4.21Å; K425-Y480 HydrophobicContact CG-CD1 3.93Å; K425-Y480 HydrophobicContact CG-CE1 4.43Å; K425-Y480 HydrophobicContact CG-CG 4.03Å
426N96.3Very high90.6Very high64 Ų6450.2 Ų50.234%0.34224%0.243SC..Hα-helixtrans-63.6-41.7178.2-65.5-15.5000111.9Q422 N423 I424 D429 M430Q422-N426 PolarHBondContact NE2-OD1 3.16Å; Q422-N426 VanDerWaalsContact O-CG 3.22Å; Q422-N426 PolarHBondContact O-N 3.41Å; Q422-N426 VanDerWaalsContact O-N 3.15Å; Q422-N426 PolarHBondContact O-ND2 2.73Å; Q422-N426 PolarHBondContact O-OD1 3.42Å; N423-N426 WeakPolarHBondContact O-CB 3.23Å; N423-N426 PolarHBondContact O-N 3.18Å; I424-N426 VanDerWaalsContact C-N 3.27Å; I424-N426 PolarHBondContact O-N 3.17Å; N426-D429 PolarHBondContact O-N 2.84Å; N426-M430 VanDerWaalsContact O-CG 3.3Å; N426-M430 WeakPolarHBondContact O-CG 3.42Å; N426-M430 PolarHBondContact O-N 3.31Å
427Q95.3Very high88.7Confident12 Ų1256.7 Ų56.76%0.05628%0.277CS..Hα-helixtrans-67.4-35.1176.9-68.1-51.8-6400112.6K400 F404 N423 I424 S431 F441K400-Q427 HydrophobicContact CD-CG 3.87Å; K400-Q427 VanDerWaalsContact CD-OE1 3.32Å; F404-Q427 HydrophobicContact CE2-CG 3.96Å; F404-Q427 HydrophobicContact CZ-CG 4.37Å; N423-Q427 PolarHBondContact O-N 3.26Å; I424-Q427 PolarHBondContact O-N 2.99Å; I424-Q427 VanDerWaalsContact O-N 3.07Å; Q427-S431 VanDerWaalsContact O-CB 3.3Å; Q427-S431 WeakPolarHBondContact O-CB 3.47Å; Q427-S431 PolarHBondContact O-N 2.93Å; Q427-S431 PolarHBondContact O-OG 3.28Å; Q427-F441 HydrophobicContact CB-CB 4.38Å; Q427-F441 HydrophobicContact CB-CD1 3.69Å; Q427-F441 HydrophobicContact CB-CD2 3.69Å; Q427-F441 HydrophobicContact CB-CE1 3.78Å; Q427-F441 HydrophobicContact CB-CE2 3.77Å; Q427-F441 HydrophobicContact CB-CG 3.65Å; Q427-F441 HydrophobicContact CB-CZ 3.82Å; Q427-F441 HydrophobicContact CG-CD2 4.35Å; Q427-F441 HydrophobicContact CG-CE1 4.16Å; Q427-F441 HydrophobicContact CG-CE2 3.93Å; Q427-F441 HydrophobicContact CG-CZ 3.83Å
428I94.8Very high87.3Confident0 Ų058.2 Ų58.20%029%0.286CS..Hα-helixtrans-64.2-49.6173.8-63161.7000110.1I424 K425 M430 S431 L432 F441 L446 L477 Y480 L481I424-I428 HydrophobicContact CG2-CD1 3.72Å; I424-I428 HydrophobicContact CG2-CG1 4.38Å; I424-I428 VanDerWaalsContact O-CG1 3.31Å; I424-I428 WeakPolarHBondContact O-CG1 3.48Å; I424-I428 PolarHBondContact O-N 3.4Å; K425-I428 PolarHBondContact O-N 3.09Å; I428-M430 VanDerWaalsContact C-N 3.32Å; I428-M430 PolarHBondContact O-N 3.19Å; I428-S431 PolarHBondContact O-N 2.94Å; I428-S431 VanDerWaalsContact O-N 3.07Å; I428-L432 HydrophobicContact CG2-CD1 3.84Å; I428-L432 HydrophobicContact CG2-CG 4.24Å; I428-L432 WeakPolarHBondContact O-CG 3.44Å; I428-L432 PolarHBondContact O-N 3.28Å; I428-F441 HydrophobicContact CG1-CB 4.1Å; I428-L446 HydrophobicContact CD1-CD1 3.5Å; I428-L446 VanDerWaalsContact CD1-CD1 3.5Å; I428-L446 HydrophobicContact CD1-CD2 4.09Å; I428-L446 HydrophobicContact CD1-CG 4.47Å; I428-L446 HydrophobicContact CG1-CD1 3.9Å; I428-L446 HydrophobicContact CG1-CD2 4.2Å; I428-L477 HydrophobicContact CD1-CD1 3.77Å; I428-Y480 HydrophobicContact CG2-CE1 4.24Å; I428-L481 HydrophobicContact CD1-CD2 4.23Å; I428-L481 HydrophobicContact CG2-CD2 3.89Å
429D93.9Very high86.6Confident40 Ų4064.5 Ų64.521%0.21431%0.31CS..Hα-helixtrans-56-45176.6177.965.5000112.4K425 N426 S431 K433 Y480K425-D429 PolarHBondContact O-N 3.46Å; N426-D429 PolarHBondContact O-N 2.84Å; D429-S431 VanDerWaalsContact C-N 3.33Å; D429-S431 PolarHBondContact O-N 3.11Å; D429-K433 VanDerWaalsContact CG-NZ 3.26Å; D429-K433 WeakPolarHBondContact O-CG 3.29Å; D429-K433 PolarHBondContact O-N 2.7Å; D429-K433 WeakPolarHBondContact OD1-CE 3.38Å; D429-K433 IonicContact OD1-NZ 3.84Å; D429-K433 PolarHBondContact OD1-NZ 3.35Å; D429-K433 WeakPolarHBondContact OD2-CE 3.44Å; D429-K433 IonicContact OD2-NZ 3.51Å; D429-K433 PolarHBondContact OD2-NZ 2.81Å; D429-Y480 VanDerWaalsContact CA-OH 3.31Å; D429-Y480 WeakPolarHBondContact CA-OH 3.19Å; D429-Y480 HydrophobicContact CB-CE1 4.49Å; D429-Y480 WeakPolarHBondContact CB-OH 3.18Å; D429-Y480 PolarHBondContact OD1-OH 3.19Å
430M91.6Very high86.3Confident68 Ų6866 Ų6634%0.33531%0.314SS..Hα-helixtrans-64-37.9176-71173.372.200112.7N426 I428 R434N426-M430 VanDerWaalsContact O-CG 3.3Å; N426-M430 WeakPolarHBondContact O-CG 3.42Å; N426-M430 PolarHBondContact O-N 3.31Å; I428-M430 VanDerWaalsContact C-N 3.32Å; I428-M430 PolarHBondContact O-N 3.19Å; M430-R434 WeakPolarHBondContact O-CG 3.34Å; M430-R434 PolarHBondContact O-N 3.08Å
431S90.3Very high86.1Confident9 Ų966 Ų666%0.06331%0.314CS..Hα-helixtrans-72.7-38.7-177.6-58.10000112Q427 I428 D429 K433 R434 N438Q427-S431 VanDerWaalsContact O-CB 3.3Å; Q427-S431 WeakPolarHBondContact O-CB 3.47Å; Q427-S431 PolarHBondContact O-N 2.93Å; Q427-S431 PolarHBondContact O-OG 3.28Å; I428-S431 PolarHBondContact O-N 2.94Å; I428-S431 VanDerWaalsContact O-N 3.07Å; D429-S431 VanDerWaalsContact C-N 3.33Å; D429-S431 PolarHBondContact O-N 3.11Å; S431-K433 VanDerWaalsContact C-N 3.3Å; S431-K433 PolarHBondContact O-N 3.1Å; S431-R434 PolarHBondContact O-N 3.21Å; S431-N438 PolarHBondContact OG-ND2 3.15Å
432L88.1Confident85.8Confident44 Ų4467.3 Ų67.323%0.2332%0.323CS..Hα-helixtrans-68.3-27.9175.9-66.7173.7000112.9I428 T442 K484 Q491 T492I428-L432 HydrophobicContact CG2-CD1 3.84Å; I428-L432 HydrophobicContact CG2-CG 4.24Å; I428-L432 WeakPolarHBondContact O-CG 3.44Å; I428-L432 PolarHBondContact O-N 3.28Å; L432-T442 HydrophobicContact CD2-CG2 4.28Å; L432-K484 HydrophobicContact CD1-CB 4.5Å; L432-Q491 HydrophobicContact CD2-CB 4.06Å; L432-T492 HydrophobicContact CD1-CG2 4.22Å; L432-T492 HydrophobicContact CD2-CG2 4.1Å
433K85.5Confident85.4Confident145 Ų14564.4 Ų64.463%0.6331%0.313SS*.Hα-helixtrans-79.7-23.4178.4-74.1170.8179.6166.40114D429 S431D429-K433 VanDerWaalsContact CG-NZ 3.26Å; D429-K433 WeakPolarHBondContact O-CG 3.29Å; D429-K433 PolarHBondContact O-N 2.7Å; D429-K433 WeakPolarHBondContact OD1-CE 3.38Å; D429-K433 IonicContact OD1-NZ 3.84Å; D429-K433 PolarHBondContact OD1-NZ 3.35Å; D429-K433 WeakPolarHBondContact OD2-CE 3.44Å; D429-K433 IonicContact OD2-NZ 3.51Å; D429-K433 PolarHBondContact OD2-NZ 2.81Å; S431-K433 VanDerWaalsContact C-N 3.3Å; S431-K433 PolarHBondContact O-N 3.1Å
434R74.7Confident85.1Confident170 Ų17069.5 Ų69.564%0.64235%0.346SS*.  trans-100.5122.7-174-70.8-179179.4-176.60.5110.2M430 S431 H436M430-R434 WeakPolarHBondContact O-CG 3.34Å; M430-R434 PolarHBondContact O-N 3.08Å; S431-R434 PolarHBondContact O-N 3.21Å; R434-H436 PolarHBondContact O-N 3.15Å
435T57.3Low84.9Confident140 Ų14073.2 Ų73.286%0.85936%0.364SS*.SBendtrans-69.4-1.6-177.5-20.60000114.2
436H54.7Low84.7Confident159 Ų15970.9 Ų70.974%0.73635%0.354SS*.SBendtrans-127.6123.6-177.6-71.8-50.5000114.1R434 N438R434-H436 PolarHBondContact O-N 3.15Å; H436-N438 PolarHBondContact O-N 3.36Å; H436-N438 VanDerWaalsContact O-N 3.1Å
437N56.4Low84.6Confident143 Ų14368.8 Ų68.877%0.76534%0.343SS*.  trans628.3144.2-88.2-5.3000121.6K439N437-K439 PolarHBondContact O-N 3.01Å; N437-K439 VanDerWaalsContact O-N 3.15Å
438N67.1Low84.6Confident39 Ų3970.4 Ų70.421%0.20936%0.356CS..  trans-88.777.1172-1604.6000113.6S397 S431 H436 W440S397-N438 WeakPolarHBondContact CB-OD1 3.43Å; S397-N438 PolarHBondContact OG-ND2 2.96Å; S397-N438 PolarHBondContact OG-OD1 3.07Å; S431-N438 PolarHBondContact OG-ND2 3.15Å; H436-N438 PolarHBondContact O-N 3.36Å; H436-N438 VanDerWaalsContact O-N 3.1Å; N438-W440 VanDerWaalsContact C-N 3.28Å; N438-W440 PolarHBondContact O-N 2.86Å
439K83.6Confident84.7Confident149 Ų14970.4 Ų70.465%0.64836%0.356SS*.G310 helixtrans-76.2-8-177.2-59.3-177-179.3-178.30114.9N437N437-K439 PolarHBondContact O-N 3.01Å; N437-K439 VanDerWaalsContact O-N 3.15Å
440W92.7Very high84.8Confident73 Ų7368.8 Ų68.828%0.27735%0.347SS..G310 helixtrans-79.2-23.6-172.8-74.3109.8000113.7Q398 Y401 N438 Q445Q398-W440 HydrophobicContact CB-CD2 4.36Å; Q398-W440 HydrophobicContact CB-CG 4.38Å; Q398-W440 HydrophobicContact CB-CZ2 4.31Å; Q398-W440 HydrophobicContact CG-CD2 4.21Å; Q398-W440 HydrophobicContact CG-CH2 4.23Å; Q398-W440 HydrophobicContact CG-CZ2 3.55Å; Y401-W440 AromaticContact CD1-CE3 3.81Å; Y401-W440 HydrophobicContact CD1-CE3 3.81Å; Y401-W440 HydrophobicContact CD1-CZ3 4.07Å; Y401-W440 HydrophobicContact CD2-CB 4.44Å; Y401-W440 HydrophobicContact CD2-CE3 4.3Å; Y401-W440 VanDerWaalsContact CD2-O 3.24Å; Y401-W440 WeakPolarHBondContact CD2-O 3.45Å; Y401-W440 HydrophobicContact CE1-CE3 4.09Å; Y401-W440 HydrophobicContact CE1-CZ3 4.11Å; Y401-W440 HydrophobicContact CG-CB 4.49Å; Y401-W440 AromaticContact CG-CE3 3.93Å; Y401-W440 HydrophobicContact CG-CE3 3.93Å; N438-W440 VanDerWaalsContact C-N 3.28Å; N438-W440 PolarHBondContact O-N 2.86Å; W440-Q445 HydrophobicContact CE3-CB 4.1Å; W440-Q445 HydrophobicContact CE3-CG 3.82Å; W440-Q445 HydrophobicContact CZ3-CG 3.96Å; W440-Q445 VanDerWaalsContact CZ3-OE1 3.27Å
441F94.3Very high84.9Confident0 Ų070.2 Ų70.20%036%0.356CS..G310 helixtrans-117.626.6179.9-64.5-82.3000112.1S397 K400 Y401 F404 Q427 I428 L449S397-F441 WeakPolarHBondContact O-CE2 3.42Å; S397-F441 WeakPolarHBondContact OG-CD2 3.42Å; S397-F441 WeakPolarHBondContact OG-CE2 3.26Å; K400-F441 HydrophobicContact CB-CE2 4.32Å; K400-F441 HydrophobicContact CB-CZ 4.04Å; Y401-F441 HydrophobicContact CD2-CE1 4.4Å; F404-F441 AromaticContact CD2-CE1 3.75Å; F404-F441 HydrophobicContact CD2-CE1 3.75Å; F404-F441 AromaticContact CD2-CZ 3.83Å; F404-F441 HydrophobicContact CD2-CZ 3.83Å; F404-F441 AromaticContact CE2-CE1 3.78Å; F404-F441 HydrophobicContact CE2-CE1 3.78Å; F404-F441 AromaticContact CE2-CZ 3.66Å; F404-F441 HydrophobicContact CE2-CZ 3.66Å; Q427-F441 HydrophobicContact CB-CB 4.38Å; Q427-F441 HydrophobicContact CB-CD1 3.69Å; Q427-F441 HydrophobicContact CB-CD2 3.69Å; Q427-F441 HydrophobicContact CB-CE1 3.78Å; Q427-F441 HydrophobicContact CB-CE2 3.77Å; Q427-F441 HydrophobicContact CB-CG 3.65Å; Q427-F441 HydrophobicContact CB-CZ 3.82Å; Q427-F441 HydrophobicContact CG-CD2 4.35Å; Q427-F441 HydrophobicContact CG-CE1 4.16Å; Q427-F441 HydrophobicContact CG-CE2 3.93Å; Q427-F441 HydrophobicContact CG-CZ 3.83Å; I428-F441 HydrophobicContact CG1-CB 4.1Å; F441-L449 HydrophobicContact CD1-CD2 4.31Å; F441-L449 HydrophobicContact CE1-CD2 4.01Å
442T91.6Very high85.2Confident30 Ų3071.3 Ų71.318%0.18436%0.361CS..SBendtrans-141.8166.3171.664.20000109.6L432 L446 Q491L432-T442 HydrophobicContact CD2-CG2 4.28Å; T442-L446 PolarHBondContact O-N 3.37Å; T442-Q491 WeakPolarHBondContact CB-O 3.49Å
443G90.2Very high85.6Confident16 Ų1669.3 Ų69.317%0.16535%0.351CS..Hα-helixtrans53.3-146.9176.600000115.1Q445 L446 V447 Q491 T492G443-Q445 VanDerWaalsContact C-N 3.29Å; G443-Q445 PolarHBondContact O-N 3.34Å; G443-L446 WeakPolarHBondContact O-CB 3.36Å; G443-L446 PolarHBondContact O-N 3.34Å; G443-L446 VanDerWaalsContact O-N 3.09Å; G443-V447 PolarHBondContact O-N 2.97Å; G443-V447 VanDerWaalsContact O-N 3.11Å; G443-Q491 PolarHBondContact N-O 3.03Å; G443-T492 PolarHBondContact N-O 3.27Å
444P91.9Very high86Confident109 Ų10963.1 Ų63.171%0.70832%0.324SS*.Hα-helixtrans-61.9-28.5-171.6-26.435.1000115.6V447 S448P444-V447 PolarHBondContact O-N 2.85Å; P444-S448 PolarHBondContact O-N 3.17Å; P444-S448 VanDerWaalsContact O-N 3.08Å
445Q94Very high86.9Confident78 Ų7860.2 Ų60.236%0.36432%0.317SS..Hα-helixtrans-69.5-41.8176.4-65.5-59.1-37.300110.6Y401 W440 G443 V447 S448 L449Y401-Q445 HydrophobicContact CE2-CB 4.22Å; Y401-Q445 VanDerWaalsContact CE2-O 3.29Å; Y401-Q445 WeakPolarHBondContact CE2-O 3.48Å; Y401-Q445 PolarHBondContact OH-O 3.07Å; Y401-Q445 PolarHBondContact OH-OE1 2.93Å; W440-Q445 HydrophobicContact CE3-CB 4.1Å; W440-Q445 HydrophobicContact CE3-CG 3.82Å; W440-Q445 HydrophobicContact CZ3-CG 3.96Å; W440-Q445 VanDerWaalsContact CZ3-OE1 3.27Å; G443-Q445 VanDerWaalsContact C-N 3.29Å; G443-Q445 PolarHBondContact O-N 3.34Å; Q445-V447 VanDerWaalsContact C-N 3.34Å; Q445-V447 PolarHBondContact O-N 3.38Å; Q445-S448 PolarHBondContact O-N 3.44Å; Q445-L449 PolarHBondContact O-N 3.43Å
446L95Very high88.6Confident0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-61.5-43.9173.1174.959.6000111.4I428 T442 G443 S448 L449 L450 L481 T492I428-L446 HydrophobicContact CD1-CD1 3.5Å; I428-L446 VanDerWaalsContact CD1-CD1 3.5Å; I428-L446 HydrophobicContact CD1-CD2 4.09Å; I428-L446 HydrophobicContact CD1-CG 4.47Å; I428-L446 HydrophobicContact CG1-CD1 3.9Å; I428-L446 HydrophobicContact CG1-CD2 4.2Å; T442-L446 PolarHBondContact O-N 3.37Å; G443-L446 WeakPolarHBondContact O-CB 3.36Å; G443-L446 PolarHBondContact O-N 3.34Å; G443-L446 VanDerWaalsContact O-N 3.09Å; L446-S448 VanDerWaalsContact C-N 3.33Å; L446-S448 PolarHBondContact O-N 3.15Å; L446-L449 CarbonylContact O-C 3.53Å; L446-L449 WeakPolarHBondContact O-CA 3.41Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 PolarHBondContact O-N 3.39Å; L446-L450 HydrophobicContact CD1-CD1 4.4Å; L446-L450 HydrophobicContact CD1-CD2 4.41Å; L446-L450 HydrophobicContact CD1-CG 4.04Å; L446-L450 HydrophobicContact CG-CD1 4.05Å; L446-L450 HydrophobicContact CG-CG 4.17Å; L446-L450 WeakPolarHBondContact O-CG 3.31Å; L446-L450 PolarHBondContact O-N 3.19Å; L446-L481 HydrophobicContact CD2-CD2 4.39Å; L446-T492 HydrophobicContact CD2-CG2 4.26Å
447V94.1Very high90.2Very high20 Ų2049.2 Ų49.212%0.12126%0.261CS..Hα-helixtrans-54.3-49.6176.5168.80000111.2G443 P444 Q445 L449 L450 D451 E497G443-V447 PolarHBondContact O-N 2.97Å; G443-V447 VanDerWaalsContact O-N 3.11Å; P444-V447 PolarHBondContact O-N 2.85Å; Q445-V447 VanDerWaalsContact C-N 3.34Å; Q445-V447 PolarHBondContact O-N 3.38Å; V447-L449 PolarHBondContact O-N 3.41Å; V447-L449 VanDerWaalsContact O-N 3.15Å; V447-L450 WeakPolarHBondContact O-CA 3.45Å; V447-L450 WeakPolarHBondContact O-CB 3.43Å; V447-L450 PolarHBondContact O-N 3.42Å; V447-D451 PolarHBondContact O-N 3.21Å; V447-E497 HydrophobicContact CB-CG 4.4Å; V447-E497 HydrophobicContact CG1-CG 3.62Å; V447-E497 HydrophobicContact CG2-CG 3.85Å
448S95.4Very high91.8Very high46 Ų4647.8 Ų47.832%0.32225%0.25SC..Hα-helixtrans-59.8-29.1177.5-179.80000113.6P444 Q445 L446P444-S448 PolarHBondContact O-N 3.17Å; P444-S448 VanDerWaalsContact O-N 3.08Å; Q445-S448 PolarHBondContact O-N 3.44Å; L446-S448 VanDerWaalsContact C-N 3.33Å; L446-S448 PolarHBondContact O-N 3.15Å
449L96Very high93Very high1 Ų147.1 Ų47.11%0.00525%0.252CS..Hα-helixtrans-79.8-35.6174.9-168.464.1000111.9Y401 R405 L408 I424 F441 Q445 L446 V447 D451 L452 V453Y401-L449 HydrophobicContact CD2-CD2 3.95Å; Y401-L449 HydrophobicContact CE2-CB 3.78Å; Y401-L449 HydrophobicContact CE2-CD1 4.41Å; Y401-L449 HydrophobicContact CE2-CD2 3.98Å; Y401-L449 HydrophobicContact CE2-CG 4.29Å; R405-L449 HydrophobicContact CB-CD1 4.31Å; L408-L449 HydrophobicContact CD1-CD1 4.26Å; I424-L449 HydrophobicContact CD1-CD1 4.28Å; I424-L449 HydrophobicContact CD1-CD2 3.72Å; I424-L449 HydrophobicContact CD1-CG 3.94Å; I424-L449 HydrophobicContact CG1-CD2 3.84Å; I424-L449 HydrophobicContact CG2-CD2 3.96Å; F441-L449 HydrophobicContact CD1-CD2 4.31Å; F441-L449 HydrophobicContact CE1-CD2 4.01Å; Q445-L449 PolarHBondContact O-N 3.43Å; L446-L449 CarbonylContact O-C 3.53Å; L446-L449 WeakPolarHBondContact O-CA 3.41Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 PolarHBondContact O-N 3.39Å; V447-L449 PolarHBondContact O-N 3.41Å; V447-L449 VanDerWaalsContact O-N 3.15Å; L449-D451 VanDerWaalsContact C-N 3.3Å; L449-D451 PolarHBondContact O-N 2.9Å; L449-L452 HydrophobicContact CD1-CD1 4.49Å; L449-L452 WeakPolarHBondContact O-CB 3.47Å; L449-L452 PolarHBondContact O-N 2.92Å; L449-V453 WeakPolarHBondContact O-CG2 3.42Å; L449-V453 PolarHBondContact O-N 3.23Å
450L95.9Very high93.5Very high6 Ų641.2 Ų41.23%0.03123%0.231CC..Hα-helixtrans-63.9-35174.1-71.4176.2000111.7L446 V447 L452 V453 L454 L477 L481L446-L450 HydrophobicContact CD1-CD1 4.4Å; L446-L450 HydrophobicContact CD1-CD2 4.41Å; L446-L450 HydrophobicContact CD1-CG 4.04Å; L446-L450 HydrophobicContact CG-CD1 4.05Å; L446-L450 HydrophobicContact CG-CG 4.17Å; L446-L450 WeakPolarHBondContact O-CG 3.31Å; L446-L450 PolarHBondContact O-N 3.19Å; V447-L450 WeakPolarHBondContact O-CA 3.45Å; V447-L450 WeakPolarHBondContact O-CB 3.43Å; V447-L450 PolarHBondContact O-N 3.42Å; L450-L452 PolarHBondContact O-N 3.29Å; L450-L452 VanDerWaalsContact O-N 3.14Å; L450-V453 PolarHBondContact O-N 2.97Å; L450-L454 HydrophobicContact CB-CD1 4.25Å; L450-L454 HydrophobicContact CD2-CD1 4.39Å; L450-L454 WeakPolarHBondContact O-CB 3.39Å; L450-L454 PolarHBondContact O-N 3.03Å; L450-L477 HydrophobicContact CD2-CD2 3.71Å; L450-L477 HydrophobicContact CD2-CG 4.41Å; L450-L481 HydrophobicContact CD1-CD1 3.95Å; L450-L481 HydrophobicContact CD2-CD1 4.07Å
451D94.5Very high93.5Very high97 Ų9745.3 Ų45.352%0.51925%0.254SS..Hα-helixtrans-56.8-29.7174.4-66-24.5000112.7V447 L449V447-D451 PolarHBondContact O-N 3.21Å; L449-D451 VanDerWaalsContact C-N 3.3Å; L449-D451 PolarHBondContact O-N 2.9Å
452L95.6Very high93.4Very high33 Ų3345.5 Ų45.517%0.17326%0.255CS..Hα-helixtrans-82.9-33.3175.9-64170.7000112.4R405 L408 L449 L450 R470R405-L452 HydrophobicContact CB-CD1 4.48Å; R405-L452 HydrophobicContact CG-CD1 3.57Å; L408-L452 HydrophobicContact CD1-CB 4.32Å; L449-L452 HydrophobicContact CD1-CD1 4.49Å; L449-L452 WeakPolarHBondContact O-CB 3.47Å; L449-L452 PolarHBondContact O-N 2.92Å; L450-L452 PolarHBondContact O-N 3.29Å; L450-L452 VanDerWaalsContact O-N 3.14Å; L452-R470 PolarHBondContact O-NH2 3.18Å
453V96.2Very high93.5Very high1 Ų146.9 Ų46.91%0.00626%0.261CS..Hα-helixtrans-79.9-41.3-176.9171.70000111.6L408 I421 I424 L449 L450 F455 S474 L477L408-V453 HydrophobicContact CD1-CG2 3.75Å; I421-V453 HydrophobicContact CD1-CG1 3.75Å; I421-V453 HydrophobicContact CG1-CB 4.4Å; I421-V453 HydrophobicContact CG1-CG1 3.67Å; I421-V453 HydrophobicContact CG1-CG2 3.93Å; I421-V453 HydrophobicContact CG2-CG1 4.03Å; I424-V453 HydrophobicContact CD1-CG2 3.96Å; L449-V453 WeakPolarHBondContact O-CG2 3.42Å; L449-V453 PolarHBondContact O-N 3.23Å; L450-V453 PolarHBondContact O-N 2.97Å; V453-F455 VanDerWaalsContact C-N 3.26Å; V453-F455 PolarHBondContact O-N 2.58Å; V453-S474 VanDerWaalsContact CG1-OG 3.24Å; V453-S474 WeakPolarHBondContact CG1-OG 3.42Å; V453-S474 PolarHBondContact O-OG 2.92Å; V453-L477 HydrophobicContact CG1-CD2 4.06Å
454L95.8Very high93.8Very high15 Ų1546.2 Ų46.28%0.07925%0.253CS..SBendtrans-94.947.2-177.8-54-179.3000110.6L450 L478 I501 F505L450-L454 HydrophobicContact CB-CD1 4.25Å; L450-L454 HydrophobicContact CD2-CD1 4.39Å; L450-L454 WeakPolarHBondContact O-CB 3.39Å; L450-L454 PolarHBondContact O-N 3.03Å; L454-L478 HydrophobicContact CD1-CD1 4.47Å; L454-I501 HydrophobicContact CD1-CD1 3.89Å; L454-I501 HydrophobicContact CD1-CG1 3.95Å; L454-I501 HydrophobicContact CD1-CG2 3.95Å; L454-F505 VanDerWaalsContact C-CD2 3.45Å; L454-F505 HydrophobicContact CB-CB 4.27Å; L454-F505 HydrophobicContact CB-CD1 4.33Å; L454-F505 HydrophobicContact CB-CD2 4.17Å; L454-F505 HydrophobicContact CB-CG 4Å; L454-F505 HydrophobicContact CD2-CD1 4.13Å; L454-F505 HydrophobicContact CD2-CE1 3.97Å; L454-F505 HydrophobicContact CD2-CZ 4.29Å; L454-F505 WeakPolarHBondContact O-CD2 3.32Å
455F92.1Very high93.8Very high109 Ų10943.1 Ų43.148%0.47823%0.231SC..  trans-120.6134.7-178.5174.3-106.7000110.3V453 P457V453-F455 VanDerWaalsContact C-N 3.26Å; V453-F455 PolarHBondContact O-N 2.58Å; F455-P457 HydrophobicContact CE1-CB 3.83Å; F455-P457 HydrophobicContact CZ-CB 4.38Å
456L93Very high93.7Very high11 Ų1145.7 Ų45.76%0.05824%0.243CC..  trans-111.3112.7172.1-72.2173.9000108.4E458 G459 T462 I471 F505 P508 L509L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 2.79Å; L456-G459 PolarHBondContact O-N 3.26Å; L456-T462 HydrophobicContact CD2-CG2 4.17Å; L456-I471 HydrophobicContact CD2-CD1 4.16Å; L456-I471 HydrophobicContact CD2-CG1 4.33Å; L456-F505 HydrophobicContact CD1-CD2 4.35Å; L456-F505 HydrophobicContact CD2-CE2 4.32Å; L456-F505 HydrophobicContact CG-CD2 4.02Å; L456-F505 HydrophobicContact CG-CE2 4.15Å; L456-P508 HydrophobicContact CD1-CB 4.07Å; L456-L509 HydrophobicContact CD1-CB 4.11Å
457P88.2Confident93.7Very high57 Ų5746.8 Ų46.837%0.3725%0.249SC..THydrogen-bonded Turntrans-57.8-41.1-170.717.1-26.7000114.3F455 T462F455-P457 HydrophobicContact CE1-CB 3.83Å; F455-P457 HydrophobicContact CZ-CB 4.38Å; P457-T462 HydrophobicContact CG-CG2 4.04Å
458E91.1Very high93.8Very high113 Ų11347 Ų4753%0.52825%0.251SS..THydrogen-bonded Turntrans-108.621.7175.2-55.577.4-155.800112L456 A460 E461 T462L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 2.79Å; E458-A460 PolarHBondContact O-N 3.01Å; E458-E461 HydrophobicContact CB-CB 4.21Å; E458-E461 PolarHBondContact O-N 2.85Å; E458-T462 PolarHBondContact N-OG1 3.47Å
459G92.6Very high93.8Very high25 Ų2549.2 Ų49.226%0.25826%0.259SS..G310 helixtrans56-124-176.400000111.5L456 E461 T462L456-G459 PolarHBondContact O-N 3.26Å; G459-E461 PolarHBondContact O-N 2.99Å; G459-T462 PolarHBondContact N-OG1 3.19Å; G459-T462 WeakPolarHBondContact O-CB 3.36Å; G459-T462 PolarHBondContact O-N 3.32Å; G459-T462 PolarHBondContact O-OG1 2.76Å
460A93.4Very high93.9Very high26 Ų2650.4 Ų50.422%0.21526%0.264CS..G310 helixtrans-67.9-18.4-179.700000114.4E458 I511 G512E458-A460 PolarHBondContact O-N 3.01Å; A460-I511 HydrophobicContact CB-CB 3.9Å; A460-I511 HydrophobicContact CB-CG2 3.66Å; A460-G512 WeakPolarHBondContact O-CA 3.48Å
461E92Very high94Very high159 Ų15950.3 Ų50.374%0.74326%0.263SS*.G310 helixtrans-921.3-179.3-62-177.3174.100113E458 G459 D463E458-E461 HydrophobicContact CB-CB 4.21Å; E458-E461 PolarHBondContact O-N 2.85Å; G459-E461 PolarHBondContact O-N 2.99Å; E461-D463 PolarHBondContact O-N 3.04Å
462T93.2Very high94.1Very high3 Ų347.4 Ų47.42%0.01825%0.247CC..SBendtrans-56.2134.9178.9-56.30000110.9L456 P457 E458 G459 L464 N467L456-T462 HydrophobicContact CD2-CG2 4.17Å; P457-T462 HydrophobicContact CG-CG2 4.04Å; E458-T462 PolarHBondContact N-OG1 3.47Å; G459-T462 PolarHBondContact N-OG1 3.19Å; G459-T462 WeakPolarHBondContact O-CB 3.36Å; G459-T462 PolarHBondContact O-N 3.32Å; G459-T462 PolarHBondContact O-OG1 2.76Å; T462-L464 WeakPolarHBondContact O-CG 3.26Å; T462-L464 PolarHBondContact O-N 3.26Å; T462-N467 HydrophobicContact CG2-CB 4.43Å
463D94.1Very high94.3Very high59 Ų5946.8 Ų46.832%0.31625%0.246SC..  trans-65.5102.2171.6-172.8-30.3000110.2E461 L465 Q466 N467E461-D463 PolarHBondContact O-N 3.04Å; D463-L465 VanDerWaalsContact C-N 3.3Å; D463-L465 PolarHBondContact O-N 3.34Å; D463-L465 WeakPolarHBondContact OD1-CA 3.37Å; D463-L465 WeakPolarHBondContact OD1-CB 3.48Å; D463-L465 PolarHBondContact OD1-N 3.29Å; D463-Q466 HydrophobicContact CB-CB 4.27Å; D463-Q466 PolarHBondContact OD1-N 3.49Å; D463-N467 WeakPolarHBondContact O-CB 3.49Å; D463-N467 PolarHBondContact O-N 2.7Å; D463-N467 VanDerWaalsContact O-N 3.16Å; D463-N467 PolarHBondContact O-ND2 3.46Å
464L94.9Very high94.3Very high2 Ų246.8 Ų46.81%0.0125%0.246CC..THydrogen-bonded Turntrans-72.5-20.8-177-57.4-173.7000113.2T462 S468 I471 L509 L513 F565T462-L464 WeakPolarHBondContact O-CG 3.26Å; T462-L464 PolarHBondContact O-N 3.26Å; L464-S468 VanDerWaalsContact O-CA 3.28Å; L464-S468 WeakPolarHBondContact O-CA 3.5Å; L464-S468 VanDerWaalsContact O-CB 3.32Å; L464-S468 WeakPolarHBondContact O-CB 3.38Å; L464-S468 PolarHBondContact O-N 3.49Å; L464-I471 HydrophobicContact CD2-CD1 3.68Å; L464-L509 HydrophobicContact CD1-CD1 4.42Å; L464-L509 HydrophobicContact CD2-CD1 3.79Å; L464-L513 HydrophobicContact CD1-CB 4.43Å; L464-L513 HydrophobicContact CD1-CD2 3.78Å; L464-L513 HydrophobicContact CD1-CG 3.87Å; L464-F565 HydrophobicContact CB-CD1 4.21Å; L464-F565 HydrophobicContact CB-CE1 3.82Å
465L93.1Very high94.5Very high44 Ų4446 Ų4623%0.2324%0.242CC..THydrogen-bonded Turntrans-76-49.9176.8-67.9177.7000110.4D463 N467 S468 Y520 A561 T564 F565D463-L465 VanDerWaalsContact C-N 3.3Å; D463-L465 PolarHBondContact O-N 3.34Å; D463-L465 WeakPolarHBondContact OD1-CA 3.37Å; D463-L465 WeakPolarHBondContact OD1-CB 3.48Å; D463-L465 PolarHBondContact OD1-N 3.29Å; L465-N467 PolarHBondContact O-N 3.18Å; L465-S468 WeakPolarHBondContact O-CB 3.48Å; L465-S468 PolarHBondContact O-N 3.49Å; L465-S468 PolarHBondContact O-OG 2.96Å; L465-Y520 HydrophobicContact CD1-CE1 4.18Å; L465-Y520 WeakPolarHBondContact CD1-OH 3.24Å; L465-A561 HydrophobicContact CD1-CB 3.61Å; L465-A561 HydrophobicContact CD2-CB 3.73Å; L465-A561 HydrophobicContact CG-CB 4.26Å; L465-T564 HydrophobicContact CD2-CG2 4.09Å; L465-F565 HydrophobicContact CD1-CZ 4.22Å; L465-F565 HydrophobicContact CD2-CD1 4.28Å; L465-F565 HydrophobicContact CD2-CE1 3.5Å; L465-F565 HydrophobicContact CD2-CZ 3.72Å; L465-F565 HydrophobicContact CG-CE1 3.7Å; L465-F565 HydrophobicContact CG-CZ 3.71Å
466Q91.4Very high94.8Very high133 Ų13343.6 Ų43.662%0.62123%0.234SC*.THydrogen-bonded Turntrans-63-34.9178.2-172.4176.6-0.200111.6S414 D463S414-Q466 WeakPolarHBondContact CB-O 3.18Å; S414-Q466 PolarHBondContact OG-O 2.84Å; D463-Q466 HydrophobicContact CB-CB 4.27Å; D463-Q466 PolarHBondContact OD1-N 3.49Å
467N94.8Very high95Very high23 Ų2343.2 Ų43.212%0.12323%0.232CC..THydrogen-bonded Turntrans-94.45.5-179.5-68.5-72000114.6T462 D463 L465 D469 R470 I471T462-N467 HydrophobicContact CG2-CB 4.43Å; D463-N467 WeakPolarHBondContact O-CB 3.49Å; D463-N467 PolarHBondContact O-N 2.7Å; D463-N467 VanDerWaalsContact O-N 3.16Å; D463-N467 PolarHBondContact O-ND2 3.46Å; L465-N467 PolarHBondContact O-N 3.18Å; N467-D469 PolarHBondContact O-N 2.83Å; N467-R470 PolarHBondContact O-N 3Å; N467-R470 VanDerWaalsContact O-N 3.14Å; N467-I471 HydrophobicContact CB-CD1 3.82Å; N467-I471 HydrophobicContact CB-CG1 4.21Å; N467-I471 WeakPolarHBondContact O-CG1 3.24Å; N467-I471 PolarHBondContact O-N 3Å
468S95.9Very high95.4Very high23 Ų2340.5 Ų40.516%0.16122%0.215CC..Hα-helixtrans-54.1-47.8-172.655.20000113.3L464 L465 R470 I471 M472L464-S468 VanDerWaalsContact O-CA 3.28Å; L464-S468 WeakPolarHBondContact O-CA 3.5Å; L464-S468 VanDerWaalsContact O-CB 3.32Å; L464-S468 WeakPolarHBondContact O-CB 3.38Å; L464-S468 PolarHBondContact O-N 3.49Å; L465-S468 WeakPolarHBondContact O-CB 3.48Å; L465-S468 PolarHBondContact O-N 3.49Å; L465-S468 PolarHBondContact O-OG 2.96Å; S468-R470 PolarHBondContact O-N 3.28Å; S468-I471 PolarHBondContact O-N 3.14Å; S468-M472 VanDerWaalsContact O-CB 3.29Å; S468-M472 WeakPolarHBondContact O-CB 3.48Å; S468-M472 VanDerWaalsContact O-CG 3.23Å; S468-M472 WeakPolarHBondContact O-CG 3.49Å; S468-M472 PolarHBondContact O-N 2.8Å
469D95.9Very high95.7Very high93 Ų9339.6 Ų39.650%0.49721%0.207SC..Hα-helixtrans-59.5-46.1178.6-71.7-25.8000112.5A418 N467 A473A418-D469 HydrophobicContact CB-CB 4.11Å; A418-D469 WeakPolarHBondContact CB-O 3.47Å; N467-D469 PolarHBondContact O-N 2.83Å; D469-A473 WeakPolarHBondContact O-CB 3.34Å; D469-A473 PolarHBondContact O-N 3.26Å
470R97.4Very high95.9Very high27 Ų2740.2 Ų40.210%0.10220%0.201CC..Hα-helixtrans-64-49.5179.1-177.4-161.1179.4150.6-13.3110.4E417 I421 L452 N467 S468 M472 A473 S474E417-R470 HydrophobicContact CB-CG 4.15Å; E417-R470 IonicContact OE1-NH1 3.5Å; E417-R470 WeakPolarHBondContact OE2-CD 3.42Å; E417-R470 IonicContact OE2-CZ 2.82Å; E417-R470 IonicContact OE2-NE 3.95Å; E417-R470 PolarHBondContact OE2-NE 3.01Å; E417-R470 IonicContact OE2-NH1 3.34Å; E417-R470 PolarHBondContact OE2-NH1 3.24Å; I421-R470 HydrophobicContact CD1-CG 3.87Å; L452-R470 PolarHBondContact O-NH2 3.18Å; N467-R470 PolarHBondContact O-N 3Å; N467-R470 VanDerWaalsContact O-N 3.14Å; S468-R470 PolarHBondContact O-N 3.28Å; R470-M472 VanDerWaalsContact C-N 3.32Å; R470-M472 PolarHBondContact O-N 3.19Å; R470-A473 PolarHBondContact O-N 3.03Å; R470-S474 WeakPolarHBondContact O-CB 3.26Å; R470-S474 PolarHBondContact O-N 3.05Å; R470-S474 PolarHBondContact O-OG 3.4Å; R470-S474 VanDerWaalsContact O-OG 3.12Å
471I97.9Very high96Very high4 Ų439 Ų392%0.02119%0.191CC..Hα-helixtrans-60.3-44.7-179.4-68167.7000110.3L456 L464 N467 S468 A473 S474 L475 L509 I568L456-I471 HydrophobicContact CD2-CD1 4.16Å; L456-I471 HydrophobicContact CD2-CG1 4.33Å; L464-I471 HydrophobicContact CD2-CD1 3.68Å; N467-I471 HydrophobicContact CB-CD1 3.82Å; N467-I471 HydrophobicContact CB-CG1 4.21Å; N467-I471 WeakPolarHBondContact O-CG1 3.24Å; N467-I471 PolarHBondContact O-N 3Å; S468-I471 PolarHBondContact O-N 3.14Å; I471-A473 PolarHBondContact O-N 3.31Å; I471-S474 WeakPolarHBondContact O-CB 3.44Å; I471-S474 PolarHBondContact O-N 2.84Å; I471-L475 HydrophobicContact CG2-CD1 4.05Å; I471-L475 HydrophobicContact CG2-CG 4.41Å; I471-L475 WeakPolarHBondContact O-CG 3.2Å; I471-L475 PolarHBondContact O-N 3.31Å; I471-L509 HydrophobicContact CD1-CD1 4.28Å; I471-L509 HydrophobicContact CG2-CD1 4.06Å; I471-L509 HydrophobicContact CG2-CD2 3.87Å; I471-I568 HydrophobicContact CG2-CG2 3.86Å
472M97.9Very high96.1Very high36 Ų3631.5 Ų31.518%0.17716%0.156CC..Hα-helixtrans-62.1-41.9177-77-65.2-67.600112S468 R470 N476 L567 I568 V571S468-M472 VanDerWaalsContact O-CB 3.29Å; S468-M472 WeakPolarHBondContact O-CB 3.48Å; S468-M472 VanDerWaalsContact O-CG 3.23Å; S468-M472 WeakPolarHBondContact O-CG 3.49Å; S468-M472 PolarHBondContact O-N 2.8Å; R470-M472 VanDerWaalsContact C-N 3.32Å; R470-M472 PolarHBondContact O-N 3.19Å; M472-N476 WeakPolarHBondContact O-CB 3.39Å; M472-N476 PolarHBondContact O-N 3.5Å; M472-N476 PolarHBondContact O-ND2 3.36Å; M472-L567 HydrophobicContact CE-CD1 4.23Å; M472-L567 HydrophobicContact CE-CD2 4.04Å; M472-L567 HydrophobicContact CE-CG 3.81Å; M472-L567 HydrophobicContact SD-CG 4.25Å; M472-I568 HydrophobicContact CG-CG1 4.06Å; M472-I568 HydrophobicContact SD-CB 4.39Å; M472-I568 HydrophobicContact SD-CG1 3.87Å; M472-V571 HydrophobicContact CE-CG2 3.72Å; M472-V571 HydrophobicContact SD-CB 4.48Å; M472-V571 HydrophobicContact SD-CG2 4.13Å
473A98.2Very high96.1Very high19 Ų1935 Ų3516%0.15717%0.174CC..Hα-helixtrans-63.8-43.2174.700000111.8A418 I421 D469 R470 I471 N476 L477A418-A473 HydrophobicContact CB-CB 3.78Å; I421-A473 HydrophobicContact CB-CB 3.96Å; I421-A473 HydrophobicContact CD1-CB 4.12Å; I421-A473 HydrophobicContact CG2-CB 3.82Å; D469-A473 WeakPolarHBondContact O-CB 3.34Å; D469-A473 PolarHBondContact O-N 3.26Å; R470-A473 PolarHBondContact O-N 3.03Å; I471-A473 PolarHBondContact O-N 3.31Å; A473-N476 PolarHBondContact O-N 2.89Å; A473-L477 WeakPolarHBondContact O-CB 3.46Å; A473-L477 PolarHBondContact O-N 3.48Å
474S98.3Very high96Very high1 Ų137.7 Ų37.71%0.00718%0.183CC..Hα-helixtrans-60.1-48.1176.3-68.20000112.4I421 V453 R470 I471 N476 L477 L478I421-S474 WeakPolarHBondContact CD1-OG 3.49Å; V453-S474 VanDerWaalsContact CG1-OG 3.24Å; V453-S474 WeakPolarHBondContact CG1-OG 3.42Å; V453-S474 PolarHBondContact O-OG 2.92Å; R470-S474 WeakPolarHBondContact O-CB 3.26Å; R470-S474 PolarHBondContact O-N 3.05Å; R470-S474 PolarHBondContact O-OG 3.4Å; R470-S474 VanDerWaalsContact O-OG 3.12Å; I471-S474 WeakPolarHBondContact O-CB 3.44Å; I471-S474 PolarHBondContact O-N 2.84Å; S474-N476 PolarHBondContact O-N 3.24Å; S474-L477 WeakPolarHBondContact O-CB 3.35Å; S474-L477 PolarHBondContact O-N 3.01Å; S474-L478 PolarHBondContact O-N 3.19Å
475L98.3Very high95.6Very high0 Ų037.8 Ų37.80%018%0.183CC..Hα-helixtrans-63.6-40.6176.9-74.1173.3000112I471 L477 L478 R479 F505 L506 L509 I568 V571 L572I471-L475 HydrophobicContact CG2-CD1 4.05Å; I471-L475 HydrophobicContact CG2-CG 4.41Å; I471-L475 WeakPolarHBondContact O-CG 3.2Å; I471-L475 PolarHBondContact O-N 3.31Å; L475-L477 VanDerWaalsContact C-N 3.33Å; L475-L477 PolarHBondContact O-N 2.85Å; L475-L478 PolarHBondContact O-N 3.46Å; L475-R479 VanDerWaalsContact O-CB 3.31Å; L475-R479 WeakPolarHBondContact O-CB 3.45Å; L475-R479 PolarHBondContact O-N 2.99Å; L475-F505 HydrophobicContact CD2-CE1 3.98Å; L475-F505 HydrophobicContact CG-CE1 4.47Å; L475-L506 HydrophobicContact CD2-CD2 4.17Å; L475-L509 HydrophobicContact CD1-CD2 4.08Å; L475-L509 HydrophobicContact CD2-CD2 4.2Å; L475-L509 HydrophobicContact CG-CD2 4.38Å; L475-I568 HydrophobicContact CD1-CG2 3.89Å; L475-V571 HydrophobicContact CB-CG1 3.75Å; L475-V571 HydrophobicContact CD1-CB 4.31Å; L475-V571 HydrophobicContact CD1-CG1 4.31Å; L475-L572 HydrophobicContact CD1-CB 4.27Å; L475-L572 HydrophobicContact CD2-CB 4.39Å; L475-L572 HydrophobicContact CD2-CD1 3.99Å
476N98.2Very high95.2Very high58 Ų5839.8 Ų39.831%0.3119%0.194SC..Hα-helixtrans-68.2-32.5176.2-81.4-67.5000112.7M472 A473 S474 Y480M472-N476 WeakPolarHBondContact O-CB 3.39Å; M472-N476 PolarHBondContact O-N 3.5Å; M472-N476 PolarHBondContact O-ND2 3.36Å; A473-N476 PolarHBondContact O-N 2.89Å; S474-N476 PolarHBondContact O-N 3.24Å; N476-Y480 WeakPolarHBondContact O-CB 3.48Å; N476-Y480 PolarHBondContact O-N 3.4Å
477L98.1Very high94.9Very high2 Ų236.9 Ų36.91%0.0118%0.181CC..Hα-helixtrans-64.8-48.7170.3171.961000110.6I421 I424 K425 I428 L450 V453 A473 S474 L475 R479 Y480 L481I421-L477 HydrophobicContact CG2-CB 4.05Å; I421-L477 HydrophobicContact CG2-CD2 4.01Å; I424-L477 HydrophobicContact CG2-CD2 4.34Å; K425-L477 HydrophobicContact CB-CD1 3.87Å; K425-L477 HydrophobicContact CG-CD1 3.95Å; I428-L477 HydrophobicContact CD1-CD1 3.77Å; L450-L477 HydrophobicContact CD2-CD2 3.71Å; L450-L477 HydrophobicContact CD2-CG 4.41Å; V453-L477 HydrophobicContact CG1-CD2 4.06Å; A473-L477 WeakPolarHBondContact O-CB 3.46Å; A473-L477 PolarHBondContact O-N 3.48Å; S474-L477 WeakPolarHBondContact O-CB 3.35Å; S474-L477 PolarHBondContact O-N 3.01Å; L475-L477 VanDerWaalsContact C-N 3.33Å; L475-L477 PolarHBondContact O-N 2.85Å; L477-R479 VanDerWaalsContact C-N 3.34Å; L477-R479 PolarHBondContact O-N 2.88Å; L477-Y480 WeakPolarHBondContact O-CB 3.19Å; L477-Y480 PolarHBondContact O-N 3.24Å; L477-Y480 VanDerWaalsContact O-N 3.07Å; L477-L481 HydrophobicContact CD1-CD1 4.27Å; L477-L481 HydrophobicContact CD1-CG 4.2Å; L477-L481 HydrophobicContact CG-CD1 4.23Å; L477-L481 WeakPolarHBondContact O-CG 3.31Å; L477-L481 PolarHBondContact O-N 3.12Å
478L97.3Very high94.3Very high1 Ų141 Ų411%0.00520%0.203CC..Hα-helixtrans-61.3-44.2179.3-171.258.4000111.5L454 S474 L475 Y480 L481 V482 L494 I501 L506 V575L454-L478 HydrophobicContact CD1-CD1 4.47Å; S474-L478 PolarHBondContact O-N 3.19Å; L475-L478 PolarHBondContact O-N 3.46Å; L478-Y480 VanDerWaalsContact C-N 3.27Å; L478-Y480 PolarHBondContact O-N 2.92Å; L478-L481 PolarHBondContact O-N 3.45Å; L478-L481 VanDerWaalsContact O-N 3.17Å; L478-V482 WeakPolarHBondContact O-CG2 3.35Å; L478-V482 PolarHBondContact O-N 3.29Å; L478-L494 HydrophobicContact CD1-CD1 3.54Å; L478-I501 HydrophobicContact CD1-CG2 4.46Å; L478-I501 HydrophobicContact CD2-CG2 3.96Å; L478-L506 HydrophobicContact CD2-CD1 4.31Å; L478-L506 HydrophobicContact CD2-CD2 3.83Å; L478-L506 HydrophobicContact CD2-CG 4.44Å; L478-V575 HydrophobicContact CB-CG1 4.49Å; L478-V575 HydrophobicContact CD2-CG1 3.79Å; L478-V575 HydrophobicContact CG-CG1 3.9Å
479R97.1Very high93.8Very high94 Ų9444.4 Ų44.436%0.35522%0.219SC..Hα-helixtrans-53.1-45.6171.4-175.2178.8170.7-173.40.8111.8L475 L477 I483 V575 L578L475-R479 VanDerWaalsContact O-CB 3.31Å; L475-R479 WeakPolarHBondContact O-CB 3.45Å; L475-R479 PolarHBondContact O-N 2.99Å; L477-R479 VanDerWaalsContact C-N 3.34Å; L477-R479 PolarHBondContact O-N 2.88Å; R479-I483 HydrophobicContact CG-CD1 3.94Å; R479-I483 WeakPolarHBondContact O-CD1 3.48Å; R479-I483 WeakPolarHBondContact O-CG1 3.46Å; R479-I483 PolarHBondContact O-N 2.76Å; R479-V575 HydrophobicContact CB-CG2 3.78Å; R479-V575 HydrophobicContact CG-CG2 4.48Å; R479-L578 HydrophobicContact CG-CD1 3.85Å
480Y97Very high93.4Very high38 Ų3841.9 Ų41.915%0.14921%0.205CC..Hα-helixtrans-63.4-45.2179.2172.3-94000111.9K425 I428 D429 N476 L477 L478 I483 K484K425-Y480 HydrophobicContact CD-CG 4.21Å; K425-Y480 HydrophobicContact CG-CD1 3.93Å; K425-Y480 HydrophobicContact CG-CE1 4.43Å; K425-Y480 HydrophobicContact CG-CG 4.03Å; I428-Y480 HydrophobicContact CG2-CE1 4.24Å; D429-Y480 VanDerWaalsContact CA-OH 3.31Å; D429-Y480 WeakPolarHBondContact CA-OH 3.19Å; D429-Y480 HydrophobicContact CB-CE1 4.49Å; D429-Y480 WeakPolarHBondContact CB-OH 3.18Å; D429-Y480 PolarHBondContact OD1-OH 3.19Å; N476-Y480 WeakPolarHBondContact O-CB 3.48Å; N476-Y480 PolarHBondContact O-N 3.4Å; L477-Y480 WeakPolarHBondContact O-CB 3.19Å; L477-Y480 PolarHBondContact O-N 3.24Å; L477-Y480 VanDerWaalsContact O-N 3.07Å; L478-Y480 VanDerWaalsContact C-N 3.27Å; L478-Y480 PolarHBondContact O-N 2.92Å; Y480-I483 PolarHBondContact O-N 3.43Å; Y480-K484 HydrophobicContact CD2-CG 4.07Å; Y480-K484 HydrophobicContact CE1-CB 4.5Å; Y480-K484 HydrophobicContact CE1-CG 4.13Å; Y480-K484 HydrophobicContact CE2-CD 4.34Å; Y480-K484 HydrophobicContact CE2-CG 3.57Å; Y480-K484 WeakPolarHBondContact O-CB 3.38Å; Y480-K484 WeakPolarHBondContact O-CG 3.42Å; Y480-K484 PolarHBondContact O-N 2.96Å; Y480-K484 VanDerWaalsContact O-N 3.07Å
481L95.1Very high93Very high1 Ų144.9 Ų44.91%0.00522%0.221CC..Hα-helixtrans-61.6-48.9-179.8-67171.1000112I428 L446 L450 L477 L478 I483 K484 D485 T492 L494I428-L481 HydrophobicContact CD1-CD2 4.23Å; I428-L481 HydrophobicContact CG2-CD2 3.89Å; L446-L481 HydrophobicContact CD2-CD2 4.39Å; L450-L481 HydrophobicContact CD1-CD1 3.95Å; L450-L481 HydrophobicContact CD2-CD1 4.07Å; L477-L481 HydrophobicContact CD1-CD1 4.27Å; L477-L481 HydrophobicContact CD1-CG 4.2Å; L477-L481 HydrophobicContact CG-CD1 4.23Å; L477-L481 WeakPolarHBondContact O-CG 3.31Å; L477-L481 PolarHBondContact O-N 3.12Å; L478-L481 PolarHBondContact O-N 3.45Å; L478-L481 VanDerWaalsContact O-N 3.17Å; L481-I483 PolarHBondContact O-N 3.14Å; L481-K484 PolarHBondContact O-N 2.7Å; L481-K484 VanDerWaalsContact O-N 3.15Å; L481-D485 PolarHBondContact O-N 2.87Å; L481-T492 HydrophobicContact CD2-CG2 3.87Å; L481-L494 HydrophobicContact CB-CD2 3.76Å
482V94.5Very high92.5Very high1 Ų144.8 Ų44.81%0.00622%0.22CC..Hα-helixtrans-59.2-35.8178.6175.30000112L478 L494 W495 L578 I579 K582L478-V482 WeakPolarHBondContact O-CG2 3.35Å; L478-V482 PolarHBondContact O-N 3.29Å; V482-L494 HydrophobicContact CB-CD2 4.45Å; V482-L494 HydrophobicContact CG2-CD2 3.69Å; V482-W495 HydrophobicContact CG1-CH2 4.15Å; V482-L578 HydrophobicContact CG1-CB 3.8Å; V482-I579 HydrophobicContact CG1-CG1 4.16Å; V482-I579 HydrophobicContact CG2-CD1 4.44Å; V482-I579 HydrophobicContact CG2-CG1 3.75Å; V482-K582 HydrophobicContact CG1-CG 4.18Å; V482-K582 WeakPolarHBondContact O-CE 3.23Å
483I93.6Very high92.1Very high75 Ų7543.4 Ų43.439%0.38522%0.215SC..Hα-helixtrans-72.5-40.5179.1-69.9168.2000111.2R479 Y480 L481 L578R479-I483 HydrophobicContact CG-CD1 3.94Å; R479-I483 WeakPolarHBondContact O-CD1 3.48Å; R479-I483 WeakPolarHBondContact O-CG1 3.46Å; R479-I483 PolarHBondContact O-N 2.76Å; Y480-I483 PolarHBondContact O-N 3.43Å; L481-I483 PolarHBondContact O-N 3.14Å; I483-L578 HydrophobicContact CD1-CD1 3.91Å; I483-L578 HydrophobicContact CG1-CD1 3.88Å; I483-L578 HydrophobicContact CG1-CD2 4.39Å
484K91.2Very high91.9Very high117 Ų11742.5 Ų42.551%0.50921%0.208SC..Hα-helixtrans-89.7-36.4-167.2-76.1-63.3-168.1-1770114.9L432 Y480 L481L432-K484 HydrophobicContact CD1-CB 4.5Å; Y480-K484 HydrophobicContact CD2-CG 4.07Å; Y480-K484 HydrophobicContact CE1-CB 4.5Å; Y480-K484 HydrophobicContact CE1-CG 4.13Å; Y480-K484 HydrophobicContact CE2-CD 4.34Å; Y480-K484 HydrophobicContact CE2-CG 3.57Å; Y480-K484 WeakPolarHBondContact O-CB 3.38Å; Y480-K484 WeakPolarHBondContact O-CG 3.42Å; Y480-K484 PolarHBondContact O-N 2.96Å; Y480-K484 VanDerWaalsContact O-N 3.07Å; L481-K484 PolarHBondContact O-N 2.7Å; L481-K484 VanDerWaalsContact O-N 3.15Å
485D86.3Confident91.6Very high4 Ų443.7 Ų43.72%0.02121%0.212CC..SBendtrans-102.8125.1-178.1-167.313.9000109.8L481 N490 Q491 T492 W495L481-D485 PolarHBondContact O-N 2.87Å; D485-N490 PolarHBondContact OD1-N 3.5Å; D485-N490 VanDerWaalsContact OD2-C 3.27Å; D485-N490 WeakPolarHBondContact OD2-CA 3.49Å; D485-Q491 PolarHBondContact OD1-N 2.71Å; D485-Q491 PolarHBondContact OD2-N 2.95Å; D485-T492 HydrophobicContact CB-CG2 3.87Å; D485-T492 VanDerWaalsContact OD2-CB 3.26Å; D485-T492 WeakPolarHBondContact OD2-CB 3.37Å; D485-T492 WeakPolarHBondContact OD2-CG2 3.48Å; D485-T492 PolarHBondContact OD2-N 3.3Å; D485-T492 PolarHBondContact OD2-OG1 2.98Å; D485-W495 WeakPolarHBondContact O-CZ2 3.48Å; D485-W495 PolarHBondContact O-NE1 3.3Å
486N85.2Confident91.3Very high85 Ų8548.3 Ų48.346%0.45524%0.24SC..  trans-87.2150.3178.5-67.4-36.2000110.1N488 D489 N490 W495 K582N486-N488 VanDerWaalsContact C-N 3.25Å; N486-N488 PolarHBondContact O-N 2.85Å; N486-D489 PolarHBondContact O-N 2.78Å; N486-N490 PolarHBondContact O-N 3.01Å; N486-W495 VanDerWaalsContact C-NE1 3.3Å; N486-K582 PolarHBondContact OD1-NZ 2.77Å
487E84.1Confident91Very high73 Ų7348.1 Ų48.134%0.34124%0.238SC..THydrogen-bonded Turntrans-56.6-38.3-177.3-170.8-179.3176.900113.4D489 W495 T586E487-D489 VanDerWaalsContact C-N 3.31Å; E487-D489 PolarHBondContact O-N 2.94Å; E487-W495 VanDerWaalsContact CA-CD1 3.5Å; E487-W495 HydrophobicContact CB-CD2 3.91Å; E487-W495 HydrophobicContact CB-CE3 4.26Å; E487-W495 HydrophobicContact CB-CG 4.13Å; E487-W495 HydrophobicContact CG-CB 4.27Å; E487-W495 HydrophobicContact CG-CD2 4.1Å; E487-W495 HydrophobicContact CG-CE3 4.21Å; E487-W495 HydrophobicContact CG-CG 4.13Å; E487-T586 HydrophobicContact CB-CG2 4.19Å; E487-T586 HydrophobicContact CG-CG2 4.45Å; E487-T586 WeakPolarHBondContact OE2-CB 3.17Å; E487-T586 PolarHBondContact OE2-OG1 3.46Å
488N83.4Confident90.8Very high109 Ų10948.9 Ų48.958%0.58324%0.242SC*.THydrogen-bonded Turntrans-71.9-21.6179.9-66.3-30000114.1N486 T586N486-N488 VanDerWaalsContact C-N 3.25Å; N486-N488 PolarHBondContact O-N 2.85Å; N488-T586 WeakPolarHBondContact OD1-CG2 3.35Å
489D84.3Confident90.5Very high94 Ų9450.6 Ų50.650%0.50326%0.259SS..THydrogen-bonded Turntrans-96.5-48.2-179.5-163.82.7000110.2N486 E487 Q491N486-D489 PolarHBondContact O-N 2.78Å; E487-D489 VanDerWaalsContact C-N 3.31Å; E487-D489 PolarHBondContact O-N 2.94Å; D489-Q491 HydrophobicContact CB-CG 4.48Å; D489-Q491 VanDerWaalsContact CG-CG 3.49Å; D489-Q491 PolarHBondContact O-N 3.35Å; D489-Q491 VanDerWaalsContact O-N 3.16Å; D489-Q491 WeakPolarHBondContact OD1-CG 3.29Å; D489-Q491 PolarHBondContact OD1-NE2 2.93Å; D489-Q491 PolarHBondContact OD2-NE2 3.2Å
490N88.7Confident90.4Very high40 Ų4050.1 Ų50.121%0.21426%0.264CS..  trans47.241.4175.3-16833.6000113.6D485 N486 T492 G493 L494 W495 T496D485-N490 PolarHBondContact OD1-N 3.5Å; D485-N490 VanDerWaalsContact OD2-C 3.27Å; D485-N490 WeakPolarHBondContact OD2-CA 3.49Å; N486-N490 PolarHBondContact O-N 3.01Å; N490-T492 PolarHBondContact O-N 3.35Å; N490-G493 PolarHBondContact O-N 2.7Å; N490-G493 VanDerWaalsContact OD1-C 3.29Å; N490-G493 VanDerWaalsContact OD1-CA 3.26Å; N490-G493 WeakPolarHBondContact OD1-CA 3.33Å; N490-G493 PolarHBondContact OD1-N 3.33Å; N490-L494 PolarHBondContact OD1-N 2.72Å; N490-W495 HydrophobicContact CB-CB 4.43Å; N490-W495 WeakPolarHBondContact OD1-CB 3.23Å; N490-W495 PolarHBondContact OD1-N 3.07Å; N490-T496 PolarHBondContact ND2-OG1 2.8Å
491Q88Confident90.3Very high91 Ų9149 Ų4943%0.42526%0.26SS..THydrogen-bonded Turntrans-62.7-31.2-178.8-60.5-169.734.700111.9L432 T442 G443 D485 D489L432-Q491 HydrophobicContact CD2-CB 4.06Å; T442-Q491 WeakPolarHBondContact CB-O 3.49Å; G443-Q491 PolarHBondContact N-O 3.03Å; D485-Q491 PolarHBondContact OD1-N 2.71Å; D485-Q491 PolarHBondContact OD2-N 2.95Å; D489-Q491 HydrophobicContact CB-CG 4.48Å; D489-Q491 VanDerWaalsContact CG-CG 3.49Å; D489-Q491 PolarHBondContact O-N 3.35Å; D489-Q491 VanDerWaalsContact O-N 3.16Å; D489-Q491 WeakPolarHBondContact OD1-CG 3.29Å; D489-Q491 PolarHBondContact OD1-NE2 2.93Å; D489-Q491 PolarHBondContact OD2-NE2 3.2Å
492T88.4Confident90.3Very high1 Ų152 Ų521%0.00627%0.274CS..THydrogen-bonded Turntrans-79.8-21-178.964.30000112.6L432 G443 L446 L481 D485 N490 L494L432-T492 HydrophobicContact CD1-CG2 4.22Å; L432-T492 HydrophobicContact CD2-CG2 4.1Å; G443-T492 PolarHBondContact N-O 3.27Å; L446-T492 HydrophobicContact CD2-CG2 4.26Å; L481-T492 HydrophobicContact CD2-CG2 3.87Å; D485-T492 HydrophobicContact CB-CG2 3.87Å; D485-T492 VanDerWaalsContact OD2-CB 3.26Å; D485-T492 WeakPolarHBondContact OD2-CB 3.37Å; D485-T492 WeakPolarHBondContact OD2-CG2 3.48Å; D485-T492 PolarHBondContact OD2-N 3.3Å; D485-T492 PolarHBondContact OD2-OG1 2.98Å; N490-T492 PolarHBondContact O-N 3.35Å; T492-L494 WeakPolarHBondContact OG1-CB 3.49Å; T492-L494 PolarHBondContact OG1-N 3.19Å
493G89.9Confident90.3Very high7 Ų755.8 Ų55.87%0.07229%0.294CS..SBendtrans76.87-170.600000114N490 W495 T496N490-G493 PolarHBondContact O-N 2.7Å; N490-G493 VanDerWaalsContact OD1-C 3.29Å; N490-G493 VanDerWaalsContact OD1-CA 3.26Å; N490-G493 WeakPolarHBondContact OD1-CA 3.33Å; N490-G493 PolarHBondContact OD1-N 3.33Å; G493-W495 PolarHBondContact O-N 3.22Å; G493-T496 PolarHBondContact O-OG1 3.33Å
494L92.7Very high90.3Very high0 Ų057.6 Ų57.60%031%0.305CS..Hα-helixtrans-59.2-47.2178.9172.768.9000111.9L478 L481 V482 N490 T492 T496 E497 L498 I501L478-L494 HydrophobicContact CD1-CD1 3.54Å; L481-L494 HydrophobicContact CB-CD2 3.76Å; V482-L494 HydrophobicContact CB-CD2 4.45Å; V482-L494 HydrophobicContact CG2-CD2 3.69Å; N490-L494 PolarHBondContact OD1-N 2.72Å; T492-L494 WeakPolarHBondContact OG1-CB 3.49Å; T492-L494 PolarHBondContact OG1-N 3.19Å; L494-T496 PolarHBondContact O-N 2.98Å; L494-E497 CarbonylContact O-C 3.55Å; L494-E497 PolarHBondContact O-N 3.22Å; L494-L498 PolarHBondContact O-N 3.04Å; L494-I501 HydrophobicContact CD1-CD1 3.65Å
495W93.1Very high90.6Very high27 Ų2752.2 Ų52.210%0.10228%0.281CS..Hα-helixtrans-67.8-29.1-170.4-62.2102.6000112.4V482 D485 N486 E487 N490 G493 E497 L498 K582V482-W495 HydrophobicContact CG1-CH2 4.15Å; D485-W495 WeakPolarHBondContact O-CZ2 3.48Å; D485-W495 PolarHBondContact O-NE1 3.3Å; N486-W495 VanDerWaalsContact C-NE1 3.3Å; E487-W495 VanDerWaalsContact CA-CD1 3.5Å; E487-W495 HydrophobicContact CB-CD2 3.91Å; E487-W495 HydrophobicContact CB-CE3 4.26Å; E487-W495 HydrophobicContact CB-CG 4.13Å; E487-W495 HydrophobicContact CG-CB 4.27Å; E487-W495 HydrophobicContact CG-CD2 4.1Å; E487-W495 HydrophobicContact CG-CE3 4.21Å; E487-W495 HydrophobicContact CG-CG 4.13Å; N490-W495 HydrophobicContact CB-CB 4.43Å; N490-W495 WeakPolarHBondContact OD1-CB 3.23Å; N490-W495 PolarHBondContact OD1-N 3.07Å; G493-W495 PolarHBondContact O-N 3.22Å; W495-E497 VanDerWaalsContact C-N 3.35Å; W495-L498 HydrophobicContact CE3-CD2 4.02Å; W495-L498 HydrophobicContact CZ3-CD2 4.07Å; W495-K582 HydrophobicContact CH2-CB 3.53Å; W495-K582 HydrophobicContact CH2-CG 4.24Å; W495-K582 HydrophobicContact CZ2-CB 4.19Å; W495-K582 HydrophobicContact CZ3-CB 4.39Å
496T91.3Very high91.1Very high96 Ų9652 Ų5259%0.58928%0.281SS*.Hα-helixtrans-68.2-3217227.50000113.1N490 G493 L494N490-T496 PolarHBondContact ND2-OG1 2.8Å; G493-T496 PolarHBondContact O-OG1 3.33Å; L494-T496 PolarHBondContact O-N 2.98Å
497E92.4Very high91.6Very high55 Ų5552.9 Ų52.926%0.25728%0.28SS..Hα-helixtrans-101.1-1.4-176.5-64.8-58.6143.600113.7V447 L494 W495 G499 N500 I501V447-E497 HydrophobicContact CB-CG 4.4Å; V447-E497 HydrophobicContact CG1-CG 3.62Å; V447-E497 HydrophobicContact CG2-CG 3.85Å; L494-E497 CarbonylContact O-C 3.55Å; L494-E497 PolarHBondContact O-N 3.22Å; W495-E497 VanDerWaalsContact C-N 3.35Å; E497-G499 VanDerWaalsContact C-N 3.29Å; E497-G499 PolarHBondContact O-N 3Å; E497-N500 WeakPolarHBondContact O-CA 3.35Å; E497-N500 WeakPolarHBondContact O-CB 3.41Å; E497-N500 PolarHBondContact O-N 2.88Å; E497-N500 PolarHBondContact OE2-ND2 3.18Å; E497-I501 HydrophobicContact CB-CD1 4.17Å; E497-I501 HydrophobicContact CB-CG1 4.49Å; E497-I501 WeakPolarHBondContact O-CG1 3.45Å; E497-I501 PolarHBondContact O-N 2.8Å
498L92.9Very high92.3Very high18 Ų1850.5 Ų50.59%0.09427%0.271CS..Hα-helixtrans-53.5-44.6-173.3-177.964.5000112.5L494 W495 N500 I501 E502 I579L494-L498 PolarHBondContact O-N 3.04Å; W495-L498 HydrophobicContact CE3-CD2 4.02Å; W495-L498 HydrophobicContact CZ3-CD2 4.07Å; L498-N500 VanDerWaalsContact C-N 3.32Å; L498-N500 PolarHBondContact O-N 3.25Å; L498-I501 PolarHBondContact O-N 3.06Å; L498-E502 WeakPolarHBondContact O-CG 3.42Å; L498-E502 PolarHBondContact O-N 3.13Å; L498-I579 HydrophobicContact CD1-CD1 3.88Å; L498-I579 HydrophobicContact CD1-CG1 4.16Å; L498-I579 HydrophobicContact CD1-CG2 4.09Å; L498-I579 HydrophobicContact CD2-CG2 3.74Å; L498-I579 HydrophobicContact CG-CG2 4.42Å
499G92.3Very high93Very high36 Ų3645.4 Ų45.437%0.37124%0.244SC..Hα-helixtrans-63.8-34.6177.600000113.5E497 N503E497-G499 VanDerWaalsContact C-N 3.29Å; E497-G499 PolarHBondContact O-N 3Å; G499-N503 WeakPolarHBondContact O-CB 3.44Å; G499-N503 VanDerWaalsContact O-CG 3.28Å; G499-N503 PolarHBondContact O-N 3.35Å; G499-N503 PolarHBondContact O-ND2 3.49Å
500N93.6Very high93.6Very high85 Ų8543.1 Ų43.146%0.45523%0.23SC..Hα-helixtrans-70.9-42.2175.4-68.9-22.5000110.7E497 L498 N503 N504E497-N500 WeakPolarHBondContact O-CA 3.35Å; E497-N500 WeakPolarHBondContact O-CB 3.41Å; E497-N500 PolarHBondContact O-N 2.88Å; E497-N500 PolarHBondContact OE2-ND2 3.18Å; L498-N500 VanDerWaalsContact C-N 3.32Å; L498-N500 PolarHBondContact O-N 3.25Å; N500-N503 PolarHBondContact O-N 3.29Å; N500-N504 VanDerWaalsContact O-CB 3.28Å; N500-N504 WeakPolarHBondContact O-CB 3.29Å; N500-N504 PolarHBondContact O-N 3.33Å; N500-N504 PolarHBondContact O-ND2 3.38Å
501I95.3Very high94Very high14 Ų1445.3 Ų45.37%0.07224%0.241CC..Hα-helixtrans-62.7-44177-66.7167.3000111L454 L478 L494 E497 L498 N503 F505 L506L454-I501 HydrophobicContact CD1-CD1 3.89Å; L454-I501 HydrophobicContact CD1-CG1 3.95Å; L454-I501 HydrophobicContact CD1-CG2 3.95Å; L478-I501 HydrophobicContact CD1-CG2 4.46Å; L478-I501 HydrophobicContact CD2-CG2 3.96Å; L494-I501 HydrophobicContact CD1-CD1 3.65Å; E497-I501 HydrophobicContact CB-CD1 4.17Å; E497-I501 HydrophobicContact CB-CG1 4.49Å; E497-I501 WeakPolarHBondContact O-CG1 3.45Å; E497-I501 PolarHBondContact O-N 2.8Å; L498-I501 PolarHBondContact O-N 3.06Å; I501-N503 VanDerWaalsContact C-N 3.33Å; I501-N503 PolarHBondContact O-N 3.44Å; I501-F505 WeakPolarHBondContact O-CA 3.28Å; I501-F505 WeakPolarHBondContact O-CB 3.33Å; I501-F505 PolarHBondContact O-N 3.09Å; I501-L506 HydrophobicContact CG2-CD1 4.49Å; I501-L506 HydrophobicContact CG2-CG 4.35Å; I501-L506 PolarHBondContact O-N 3.44Å; I501-L506 VanDerWaalsContact O-N 3.14Å
502E94.6Very high94.4Very high63 Ų6341 Ų4129%0.29422%0.221SC..Iπ-helixtrans-58.6-45.4175.8-78.4178.3-178.800111.9L498 L506 K507L498-E502 WeakPolarHBondContact O-CG 3.42Å; L498-E502 PolarHBondContact O-N 3.13Å; E502-L506 HydrophobicContact CG-CD1 4.03Å; E502-K507 WeakPolarHBondContact O-CB 3.32Å; E502-K507 VanDerWaalsContact O-CG 3.31Å; E502-K507 WeakPolarHBondContact O-CG 3.34Å; E502-K507 PolarHBondContact O-N 3.09Å
503N94.4Very high94.8Very high81 Ų8141 Ų4143%0.43322%0.221SC..Iπ-helixtrans-76.4-35.8-175.7-70.5-36.3000113.6G499 N500 I501 K507 P508G499-N503 WeakPolarHBondContact O-CB 3.44Å; G499-N503 VanDerWaalsContact O-CG 3.28Å; G499-N503 PolarHBondContact O-N 3.35Å; G499-N503 PolarHBondContact O-ND2 3.49Å; N500-N503 PolarHBondContact O-N 3.29Å; I501-N503 VanDerWaalsContact C-N 3.33Å; I501-N503 PolarHBondContact O-N 3.44Å; N503-K507 PolarHBondContact OD1-NZ 3.44Å; N503-P508 VanDerWaalsContact O-CD 3.3Å; N503-P508 WeakPolarHBondContact O-CD 3.49Å; N503-P508 WeakPolarHBondContact O-CG 3.24Å
504N94.3Very high95.1Very high114 Ų11445 Ų4561%0.6124%0.241SC*.Iπ-helixtrans-99.1-18.4-171.7-62.2-20000113.5N500N500-N504 VanDerWaalsContact O-CB 3.28Å; N500-N504 WeakPolarHBondContact O-CB 3.29Å; N500-N504 PolarHBondContact O-N 3.33Å; N500-N504 PolarHBondContact O-ND2 3.38Å
505F97.3Very high95.2Very high3 Ų349.7 Ų49.71%0.01326%0.264CS..Iπ-helixtrans-125-59.1-177.6-176.5-107.5000112.9L454 L456 L475 I501 P508 L509L454-F505 VanDerWaalsContact C-CD2 3.45Å; L454-F505 HydrophobicContact CB-CB 4.27Å; L454-F505 HydrophobicContact CB-CD1 4.33Å; L454-F505 HydrophobicContact CB-CD2 4.17Å; L454-F505 HydrophobicContact CB-CG 4Å; L454-F505 HydrophobicContact CD2-CD1 4.13Å; L454-F505 HydrophobicContact CD2-CE1 3.97Å; L454-F505 HydrophobicContact CD2-CZ 4.29Å; L454-F505 WeakPolarHBondContact O-CD2 3.32Å; L456-F505 HydrophobicContact CD1-CD2 4.35Å; L456-F505 HydrophobicContact CD2-CE2 4.32Å; L456-F505 HydrophobicContact CG-CD2 4.02Å; L456-F505 HydrophobicContact CG-CE2 4.15Å; L475-F505 HydrophobicContact CD2-CE1 3.98Å; L475-F505 HydrophobicContact CG-CE1 4.47Å; I501-F505 WeakPolarHBondContact O-CA 3.28Å; I501-F505 WeakPolarHBondContact O-CB 3.33Å; I501-F505 PolarHBondContact O-N 3.09Å; F505-P508 WeakPolarHBondContact O-CD 3.11Å; F505-L509 HydrophobicContact CE1-CD2 4.47Å; F505-L509 HydrophobicContact CZ-CD2 4.35Å; F505-L509 WeakPolarHBondContact O-CB 3.36Å; F505-L509 PolarHBondContact O-N 3.13Å
506L97.3Very high95.2Very high1 Ų149.5 Ų49.51%0.00527%0.267CS..Iπ-helixtrans-68.3-48.9-171.4-57.4177.6000113.1L475 L478 I501 E502 L509 H510 L572 I579L475-L506 HydrophobicContact CD2-CD2 4.17Å; L478-L506 HydrophobicContact CD2-CD1 4.31Å; L478-L506 HydrophobicContact CD2-CD2 3.83Å; L478-L506 HydrophobicContact CD2-CG 4.44Å; I501-L506 HydrophobicContact CG2-CD1 4.49Å; I501-L506 HydrophobicContact CG2-CG 4.35Å; I501-L506 PolarHBondContact O-N 3.44Å; I501-L506 VanDerWaalsContact O-N 3.14Å; E502-L506 HydrophobicContact CG-CD1 4.03Å; L506-L509 PolarHBondContact O-N 3.28Å; L506-H510 PolarHBondContact O-CD2 3.12Å; L506-H510 PolarHBondContact O-N 3.05Å; L506-L572 HydrophobicContact CB-CD1 4.27Å; L506-L572 HydrophobicContact CD2-CD1 3.54Å; L506-L572 HydrophobicContact CG-CD1 4.44Å; L506-I579 HydrophobicContact CD1-CD1 4.11Å
507K96.4Very high95.4Very high102 Ų10245.8 Ų45.844%0.44324%0.242SC..Hα-helixtrans-64.6-47.1178.5-70.3172.8-170.9168.10112.5E502 N503 L509 H510 I511E502-K507 WeakPolarHBondContact O-CB 3.32Å; E502-K507 VanDerWaalsContact O-CG 3.31Å; E502-K507 WeakPolarHBondContact O-CG 3.34Å; E502-K507 PolarHBondContact O-N 3.09Å; N503-K507 PolarHBondContact OD1-NZ 3.44Å; K507-L509 VanDerWaalsContact C-N 3.26Å; K507-L509 PolarHBondContact O-N 3.31Å; K507-H510 WeakPolarHBondContact O-CB 3.4Å; K507-H510 PolarHBondContact O-N 2.96Å; K507-I511 WeakPolarHBondContact O-CG1 3.27Å; K507-I511 PolarHBondContact O-N 2.89Å; K507-I511 VanDerWaalsContact O-N 3.08Å
508P97.5Very high95.5Very high24 Ų2445.9 Ų45.916%0.15625%0.252CS..Hα-helixtrans-60-35.8174.1-26.236.6000113.1L456 N503 F505 I511 G512L456-P508 HydrophobicContact CD1-CB 4.07Å; N503-P508 VanDerWaalsContact O-CD 3.3Å; N503-P508 WeakPolarHBondContact O-CD 3.49Å; N503-P508 WeakPolarHBondContact O-CG 3.24Å; F505-P508 WeakPolarHBondContact O-CD 3.11Å; P508-I511 PolarHBondContact O-N 3.16Å; P508-G512 PolarHBondContact O-N 3.26Å
509L97.7Very high95.5Very high1 Ų150 Ų501%0.00527%0.271CS..Hα-helixtrans-64.3-42.5175.8-175.259.2000112.2L456 L464 I471 L475 F505 L506 K507 I511 G512 L513 I568 L572L456-L509 HydrophobicContact CD1-CB 4.11Å; L464-L509 HydrophobicContact CD1-CD1 4.42Å; L464-L509 HydrophobicContact CD2-CD1 3.79Å; I471-L509 HydrophobicContact CD1-CD1 4.28Å; I471-L509 HydrophobicContact CG2-CD1 4.06Å; I471-L509 HydrophobicContact CG2-CD2 3.87Å; L475-L509 HydrophobicContact CD1-CD2 4.08Å; L475-L509 HydrophobicContact CD2-CD2 4.2Å; L475-L509 HydrophobicContact CG-CD2 4.38Å; F505-L509 HydrophobicContact CE1-CD2 4.47Å; F505-L509 HydrophobicContact CZ-CD2 4.35Å; F505-L509 WeakPolarHBondContact O-CB 3.36Å; F505-L509 PolarHBondContact O-N 3.13Å; L506-L509 PolarHBondContact O-N 3.28Å; K507-L509 VanDerWaalsContact C-N 3.26Å; K507-L509 PolarHBondContact O-N 3.31Å; L509-I511 VanDerWaalsContact C-N 3.34Å; L509-I511 PolarHBondContact O-N 3.29Å; L509-G512 PolarHBondContact O-N 2.72Å; L509-L513 HydrophobicContact CG-CD1 4.24Å; L509-L513 WeakPolarHBondContact O-CB 3.34Å; L509-L513 WeakPolarHBondContact O-CG 3.38Å; L509-L513 PolarHBondContact O-N 3.46Å; L509-I568 HydrophobicContact CD1-CG2 4.41Å; L509-I568 HydrophobicContact CD2-CG2 4.26Å; L509-L572 HydrophobicContact CB-CD2 4.46Å; L509-L572 HydrophobicContact CD2-CD1 4.46Å; L509-L572 HydrophobicContact CD2-CD2 4.1Å; L509-L572 HydrophobicContact CG-CD2 4.11Å
510H97.1Very high95.5Very high46 Ų4649.4 Ų49.421%0.21326%0.258CS..Hα-helixtrans-57.4-46171.8-87.4-64.8000112.3L506 K507 L513 N514 L572 E576L506-H510 PolarHBondContact O-CD2 3.12Å; L506-H510 PolarHBondContact O-N 3.05Å; K507-H510 WeakPolarHBondContact O-CB 3.4Å; K507-H510 PolarHBondContact O-N 2.96Å; H510-L513 PolarHBondContact O-N 3.4Å; H510-N514 WeakPolarHBondContact O-CB 3.36Å; H510-N514 PolarHBondContact O-N 3.47Å; H510-N514 PolarHBondContact O-ND2 3.01Å; H510-N514 VanDerWaalsContact O-ND2 3.09Å; H510-L572 VanDerWaalsContact CE1-CD2 3.46Å; H510-L572 WeakPolarHBondContact CE1-CD2 3.41Å; H510-E576 IonicContact CD2-OE1 4Å; H510-E576 PolarHBondContact CD2-OE1 3.18Å; H510-E576 IonicContact CE1-OE2 2.65Å; H510-E576 IonicContact NE2-OE1 2.55Å; H510-E576 PolarHBondContact NE2-OE1 3.08Å; H510-E576 IonicContact NE2-OE2 2.81Å; H510-E576 PolarHBondContact NE2-OE2 3.22Å
511I97.2Very high95.5Very high87 Ų8750.7 Ų50.745%0.44626%0.261SS..Hα-helixtrans-62-47.3178.4-62.7166.6000109.8A460 K507 P508 L509 L513 N514 M515A460-I511 HydrophobicContact CB-CB 3.9Å; A460-I511 HydrophobicContact CB-CG2 3.66Å; K507-I511 WeakPolarHBondContact O-CG1 3.27Å; K507-I511 PolarHBondContact O-N 2.89Å; K507-I511 VanDerWaalsContact O-N 3.08Å; P508-I511 PolarHBondContact O-N 3.16Å; L509-I511 VanDerWaalsContact C-N 3.34Å; L509-I511 PolarHBondContact O-N 3.29Å; I511-L513 VanDerWaalsContact C-N 3.35Å; I511-L513 PolarHBondContact O-N 2.94Å; I511-N514 PolarHBondContact O-N 2.89Å; I511-M515 HydrophobicContact CG2-CG 4.35Å; I511-M515 HydrophobicContact CG2-SD 3.77Å; I511-M515 WeakPolarHBondContact O-CB 3.46Å; I511-M515 VanDerWaalsContact O-CG 3.32Å; I511-M515 WeakPolarHBondContact O-CG 3.28Å; I511-M515 PolarHBondContact O-N 2.87Å
512G96.5Very high95.3Very high1 Ų152.2 Ų52.21%0.0128%0.276CS..Hα-helixtrans-61.3-39.8178.300000113.2A460 P508 L509 S516A460-G512 WeakPolarHBondContact O-CA 3.48Å; P508-G512 PolarHBondContact O-N 3.26Å; L509-G512 PolarHBondContact O-N 2.72Å; G512-S516 WeakPolarHBondContact O-CB 3.33Å; G512-S516 PolarHBondContact O-N 2.93Å; G512-S516 PolarHBondContact O-OG 3.32Å
513L96.9Very high94.9Very high0 Ų051.4 Ų51.40%027%0.272CS..Hα-helixtrans-63.9-47.4175.7-77.8166.4000111.4L464 L509 H510 I511 M515 S516 K517 F565 I568 E569 L572L464-L513 HydrophobicContact CD1-CB 4.43Å; L464-L513 HydrophobicContact CD1-CD2 3.78Å; L464-L513 HydrophobicContact CD1-CG 3.87Å; L509-L513 HydrophobicContact CG-CD1 4.24Å; L509-L513 WeakPolarHBondContact O-CB 3.34Å; L509-L513 WeakPolarHBondContact O-CG 3.38Å; L509-L513 PolarHBondContact O-N 3.46Å; H510-L513 PolarHBondContact O-N 3.4Å; I511-L513 VanDerWaalsContact C-N 3.35Å; I511-L513 PolarHBondContact O-N 2.94Å; L513-M515 PolarHBondContact O-N 3.14Å; L513-S516 PolarHBondContact O-N 3.43Å; L513-K517 WeakPolarHBondContact O-CB 3.44Å; L513-K517 VanDerWaalsContact O-CG 3.32Å; L513-K517 WeakPolarHBondContact O-CG 3.39Å; L513-K517 PolarHBondContact O-N 3.31Å; L513-F565 HydrophobicContact CD2-CB 3.88Å; L513-F565 HydrophobicContact CD2-CD1 4.34Å; L513-F565 HydrophobicContact CD2-CG 4.42Å; L513-I568 HydrophobicContact CD1-CG2 4.09Å; L513-I568 HydrophobicContact CD2-CB 4.13Å; L513-I568 HydrophobicContact CD2-CG2 4.12Å; L513-E569 HydrophobicContact CD1-CB 4.01Å; L513-E569 HydrophobicContact CD1-CG 4.4Å; L513-L572 HydrophobicContact CD1-CD2 3.86Å
514N96.2Very high94.7Very high91 Ų9148.1 Ų48.149%0.48725%0.254SS..Hα-helixtrans-61.1-45.6178-74.5-37.7000111.7H510 I511 A518H510-N514 WeakPolarHBondContact O-CB 3.36Å; H510-N514 PolarHBondContact O-N 3.47Å; H510-N514 PolarHBondContact O-ND2 3.01Å; H510-N514 VanDerWaalsContact O-ND2 3.09Å; I511-N514 PolarHBondContact O-N 2.89Å; N514-A518 VanDerWaalsContact O-CB 3.26Å; N514-A518 WeakPolarHBondContact O-CB 3.2Å; N514-A518 PolarHBondContact O-N 3.28Å
515M94.6Very high94.4Very high98 Ų9848.6 Ų48.648%0.48325%0.251SS..Hα-helixtrans-62.3-46.7176.6-72.8177.161.900111.5I511 L513 A518 H519I511-M515 HydrophobicContact CG2-CG 4.35Å; I511-M515 HydrophobicContact CG2-SD 3.77Å; I511-M515 WeakPolarHBondContact O-CB 3.46Å; I511-M515 VanDerWaalsContact O-CG 3.32Å; I511-M515 WeakPolarHBondContact O-CG 3.28Å; I511-M515 PolarHBondContact O-N 2.87Å; L513-M515 PolarHBondContact O-N 3.14Å; M515-A518 PolarHBondContact O-N 3.34Å; M515-H519 WeakPolarHBondContact O-CB 3.42Å; M515-H519 PolarHBondContact O-N 2.73Å
516S94.3Very high93.8Very high23 Ų2352.6 Ų52.616%0.16127%0.273CS..Hα-helixtrans-65.4-47.4-178.7-60.70000111.8G512 L513 A518 H519 Y520G512-S516 WeakPolarHBondContact O-CB 3.33Å; G512-S516 PolarHBondContact O-N 2.93Å; G512-S516 PolarHBondContact O-OG 3.32Å; L513-S516 PolarHBondContact O-N 3.43Å; S516-A518 PolarHBondContact O-N 3.19Å; S516-H519 PolarHBondContact O-N 3.39Å; S516-Y520 VanDerWaalsContact O-CD2 3.25Å; S516-Y520 WeakPolarHBondContact O-CD2 3.45Å; S516-Y520 PolarHBondContact O-N 3.21Å
517K95.1Very high93Very high19 Ų1952.7 Ų52.78%0.08327%0.273CS..Hα-helixtrans-59.7-48.9176.7-71.7-176.2-172.1-162.70111.4L513 H519 Y520 E521 L562 F565 D566 E569L513-K517 WeakPolarHBondContact O-CB 3.44Å; L513-K517 VanDerWaalsContact O-CG 3.32Å; L513-K517 WeakPolarHBondContact O-CG 3.39Å; L513-K517 PolarHBondContact O-N 3.31Å; K517-H519 VanDerWaalsContact C-N 3.3Å; K517-H519 PolarHBondContact O-N 3.36Å; K517-Y520 PolarHBondContact O-N 3.05Å; K517-E521 VanDerWaalsContact O-CB 3.29Å; K517-E521 WeakPolarHBondContact O-CB 3.36Å; K517-E521 VanDerWaalsContact O-CG 3.24Å; K517-E521 WeakPolarHBondContact O-CG 3.44Å; K517-E521 PolarHBondContact O-N 3.25Å; K517-L562 HydrophobicContact CB-CD2 4.46Å; K517-L562 HydrophobicContact CG-CD2 4.4Å; K517-F565 HydrophobicContact CD-CB 4.36Å; K517-F565 HydrophobicContact CG-CB 3.85Å; K517-F565 HydrophobicContact CG-CD2 3.95Å; K517-F565 HydrophobicContact CG-CG 4.3Å; K517-D566 WeakPolarHBondContact CE-OD1 3.45Å; K517-D566 IonicContact NZ-OD1 2.57Å; K517-D566 PolarHBondContact NZ-OD1 3.4Å; K517-E569 IonicContact NZ-OE1 3.64Å; K517-E569 IonicContact NZ-OE2 2.74Å; K517-E569 PolarHBondContact NZ-OE2 3.23Å
518A94Very high92.3Very high56 Ų5651.7 Ų51.746%0.46327%0.27SS..Hα-helixtrans-58.6-41.9178.500000112.3N514 M515 S516 A522N514-A518 VanDerWaalsContact O-CB 3.26Å; N514-A518 WeakPolarHBondContact O-CB 3.2Å; N514-A518 PolarHBondContact O-N 3.28Å; M515-A518 PolarHBondContact O-N 3.34Å; S516-A518 PolarHBondContact O-N 3.19Å; A518-A522 VanDerWaalsContact O-CB 3.27Å; A518-A522 WeakPolarHBondContact O-CB 3.41Å; A518-A522 PolarHBondContact O-N 3.29Å
519H92.4Very high91.4Very high106 Ų10655.5 Ų55.549%0.49129%0.286SS..Hα-helixtrans-61.8-52.2176.2176.6-94.9000112M515 S516 K517 A522 E523M515-H519 WeakPolarHBondContact O-CB 3.42Å; M515-H519 PolarHBondContact O-N 2.73Å; S516-H519 PolarHBondContact O-N 3.39Å; K517-H519 VanDerWaalsContact C-N 3.3Å; K517-H519 PolarHBondContact O-N 3.36Å; H519-A522 PolarHBondContact O-N 2.94Å; H519-E523 WeakPolarHBondContact O-CB 3.38Å; H519-E523 PolarHBondContact O-N 3.3Å
520Y92.4Very high90.1Very high23 Ų2356.8 Ų56.89%0.0930%0.296CS..Hα-helixtrans-69.8-35.3-177.3-82.8-103.1000112.8L465 S516 K517 E523 I524 V541 L558 A561 F565L465-Y520 HydrophobicContact CD1-CE1 4.18Å; L465-Y520 WeakPolarHBondContact CD1-OH 3.24Å; S516-Y520 VanDerWaalsContact O-CD2 3.25Å; S516-Y520 WeakPolarHBondContact O-CD2 3.45Å; S516-Y520 PolarHBondContact O-N 3.21Å; K517-Y520 PolarHBondContact O-N 3.05Å; Y520-E523 PolarHBondContact O-N 3.04Å; Y520-I524 WeakPolarHBondContact O-CB 3.34Å; Y520-I524 WeakPolarHBondContact O-CD1 3.46Å; Y520-I524 VanDerWaalsContact O-CG1 3.24Å; Y520-I524 WeakPolarHBondContact O-CG1 3.4Å; Y520-I524 PolarHBondContact O-N 3.5Å; Y520-V541 WeakPolarHBondContact OH-CG1 3.2Å; Y520-L558 HydrophobicContact CD1-CB 4.41Å; Y520-L558 HydrophobicContact CD1-CD2 3.58Å; Y520-L558 HydrophobicContact CE1-CD2 3.76Å; Y520-A561 HydrophobicContact CD1-CB 3.65Å; Y520-A561 HydrophobicContact CE1-CB 3.52Å; Y520-A561 HydrophobicContact CG-CB 4.45Å; Y520-F565 AromaticContact CD2-CE2 3.77Å; Y520-F565 HydrophobicContact CD2-CE2 3.77Å; Y520-F565 HydrophobicContact CD2-CZ 4.17Å; Y520-F565 HydrophobicContact CE2-CE2 4.1Å; Y520-F565 HydrophobicContact CE2-CZ 4.02Å; Y520-F565 HydrophobicContact CG-CE2 4.09Å
521E93.2Very high88.6Confident111 Ų11158.5 Ų58.552%0.51931%0.305SS..Hα-helixtrans-64.7-42.2173.1-74.2175.6177.100112K517 E523 I524 K525 L562K517-E521 VanDerWaalsContact O-CB 3.29Å; K517-E521 WeakPolarHBondContact O-CB 3.36Å; K517-E521 VanDerWaalsContact O-CG 3.24Å; K517-E521 WeakPolarHBondContact O-CG 3.44Å; K517-E521 PolarHBondContact O-N 3.25Å; E521-E523 VanDerWaalsContact C-N 3.35Å; E521-I524 PolarHBondContact O-N 3.35Å; E521-K525 WeakPolarHBondContact O-CB 3.22Å; E521-K525 PolarHBondContact O-N 3.48Å; E521-L562 HydrophobicContact CG-CD1 4.01Å; E521-L562 HydrophobicContact CG-CD2 4.16Å
522A91.1Very high87Confident47 Ų4762.7 Ų62.739%0.38832%0.32SS..Hα-helixtrans-62.9-43.1174.100000111.2A518 H519 I524 K525 N526A518-A522 VanDerWaalsContact O-CB 3.27Å; A518-A522 WeakPolarHBondContact O-CB 3.41Å; A518-A522 PolarHBondContact O-N 3.29Å; H519-A522 PolarHBondContact O-N 2.94Å; A522-I524 PolarHBondContact O-N 2.96Å; A522-K525 PolarHBondContact O-N 2.91Å; A522-N526 WeakPolarHBondContact O-CB 3.49Å; A522-N526 PolarHBondContact O-N 3.11Å; A522-N526 PolarHBondContact O-ND2 3.44Å
523E88.1Confident85.1Confident46 Ų4666 Ų6622%0.21534%0.343CS..Hα-helixtrans-64.7-40.1178.7-16857-151.800112.4H519 Y520 E521 N526 S527 I539 L558H519-E523 WeakPolarHBondContact O-CB 3.38Å; H519-E523 PolarHBondContact O-N 3.3Å; Y520-E523 PolarHBondContact O-N 3.04Å; E521-E523 VanDerWaalsContact C-N 3.35Å; E523-N526 PolarHBondContact O-N 3.09Å; E523-S527 VanDerWaalsContact O-CB 3.23Å; E523-S527 WeakPolarHBondContact O-CB 3.31Å; E523-S527 PolarHBondContact O-N 3.35Å; E523-S527 PolarHBondContact O-OG 3.45Å; E523-I539 HydrophobicContact CG-CG2 4.47Å; E523-L558 HydrophobicContact CB-CD1 4.39Å; E523-L558 HydrophobicContact CG-CD1 3.97Å; E523-L558 HydrophobicContact CG-CD2 4.41Å
524I88.6Confident83Confident12 Ų1275.3 Ų75.36%0.06238%0.383CS..Hα-helixtrans-60.6-46.8172.6-73.2165000110.6Y520 E521 A522 S527 Q528 L555 L558 L562Y520-I524 WeakPolarHBondContact O-CB 3.34Å; Y520-I524 WeakPolarHBondContact O-CD1 3.46Å; Y520-I524 VanDerWaalsContact O-CG1 3.24Å; Y520-I524 WeakPolarHBondContact O-CG1 3.4Å; Y520-I524 PolarHBondContact O-N 3.5Å; E521-I524 PolarHBondContact O-N 3.35Å; A522-I524 PolarHBondContact O-N 2.96Å; I524-S527 PolarHBondContact O-N 3.11Å; I524-Q528 HydrophobicContact CG2-CG 4.46Å; I524-Q528 WeakPolarHBondContact O-CB 3.38Å; I524-Q528 VanDerWaalsContact O-CG 3.24Å; I524-Q528 WeakPolarHBondContact O-CG 3.3Å; I524-Q528 PolarHBondContact O-N 3Å; I524-L555 HydrophobicContact CB-CD2 4.44Å; I524-L555 HydrophobicContact CG1-CD2 4.43Å; I524-L555 HydrophobicContact CG2-CD2 4.09Å; I524-L558 HydrophobicContact CD1-CB 3.86Å; I524-L558 HydrophobicContact CG1-CB 3.55Å; I524-L558 HydrophobicContact CG1-CD1 3.77Å; I524-L558 HydrophobicContact CG1-CG 4.31Å; I524-L562 HydrophobicContact CD1-CD1 3.52Å; I524-L562 HydrophobicContact CD1-CG 4.27Å
525K88.8Confident80.8Confident124 Ų12476.8 Ų76.854%0.53939%0.391SS..Hα-helixtrans-62.9-46.4179.9-173.7-176.4174.2-171.20111.3E521 A522 S527 Q528 E529E521-K525 WeakPolarHBondContact O-CB 3.22Å; E521-K525 PolarHBondContact O-N 3.48Å; A522-K525 PolarHBondContact O-N 2.91Å; K525-S527 PolarHBondContact O-N 3.28Å; K525-Q528 PolarHBondContact O-N 3.44Å; K525-E529 WeakPolarHBondContact CE-OE1 3.43Å; K525-E529 WeakPolarHBondContact O-CG 3.43Å; K525-E529 PolarHBondContact O-N 2.91Å
526N85.1Confident78.4Confident87 Ų8780.6 Ų80.647%0.46541%0.412SS..Hα-helixtrans-61.4-43.3177-67.7-16.4000111.4A522 E523 Q528 E529 A530A522-N526 WeakPolarHBondContact O-CB 3.49Å; A522-N526 PolarHBondContact O-N 3.11Å; A522-N526 PolarHBondContact O-ND2 3.44Å; E523-N526 PolarHBondContact O-N 3.09Å; N526-Q528 PolarHBondContact O-N 2.97Å; N526-E529 PolarHBondContact O-N 3.42Å; N526-A530 WeakPolarHBondContact O-CB 3.49Å; N526-A530 PolarHBondContact O-N 3.24Å
527S80.8Confident76.3Confident2 Ų281.7 Ų81.71%0.01442%0.42CS..Hα-helixtrans-62.2-41.4176.2-70.50000112.3E523 I524 K525 Q531E523-S527 VanDerWaalsContact O-CB 3.23Å; E523-S527 WeakPolarHBondContact O-CB 3.31Å; E523-S527 PolarHBondContact O-N 3.35Å; E523-S527 PolarHBondContact O-OG 3.45Å; I524-S527 PolarHBondContact O-N 3.11Å; K525-S527 PolarHBondContact O-N 3.28Å; S527-Q531 WeakPolarHBondContact O-CB 3.47Å; S527-Q531 VanDerWaalsContact O-CG 3.23Å; S527-Q531 WeakPolarHBondContact O-CG 3.47Å; S527-Q531 PolarHBondContact O-N 3.47Å
528Q81.6Confident74.1Confident82 Ų8285.4 Ų85.438%0.38345%0.448SS..Hα-helixtrans-68.9-32.5176-71.8173.65.500112.7I524 K525 N526 K532 L555I524-Q528 HydrophobicContact CG2-CG 4.46Å; I524-Q528 WeakPolarHBondContact O-CB 3.38Å; I524-Q528 VanDerWaalsContact O-CG 3.24Å; I524-Q528 WeakPolarHBondContact O-CG 3.3Å; I524-Q528 PolarHBondContact O-N 3Å; K525-Q528 PolarHBondContact O-N 3.44Å; N526-Q528 PolarHBondContact O-N 2.97Å; Q528-K532 WeakPolarHBondContact O-CG 3.5Å; Q528-L555 HydrophobicContact CG-CD1 4.11Å; Q528-L555 HydrophobicContact CG-CD2 4.11Å
529E79Confident72.3Confident104 Ų10483 Ų8349%0.48643%0.427SS..Hα-helixtrans-74-41.3174.8-72.5-179.9-172.100111.6K525 N526 K532 S533K525-E529 WeakPolarHBondContact CE-OE1 3.43Å; K525-E529 WeakPolarHBondContact O-CG 3.43Å; K525-E529 PolarHBondContact O-N 2.91Å; N526-E529 PolarHBondContact O-N 3.42Å; E529-K532 WeakPolarHBondContact O-CB 3.23Å; E529-K532 PolarHBondContact O-N 3.06Å; E529-K532 VanDerWaalsContact O-N 3.14Å; E529-S533 PolarHBondContact O-N 3.26Å
530A69.6Low70.3Confident27 Ų2781.5 Ų81.522%0.22343%0.425CS..Hα-helixtrans-67.3-34.7175.700000113.1N526 K532 S533 K534N526-A530 WeakPolarHBondContact O-CB 3.49Å; N526-A530 PolarHBondContact O-N 3.24Å; A530-K532 PolarHBondContact O-N 2.86Å; A530-S533 WeakPolarHBondContact CA-OG 3.48Å; A530-S533 PolarHBondContact O-N 2.92Å; A530-S533 PolarHBondContact O-OG 2.87Å; A530-K534 PolarHBondContact O-N 3.44Å
531Q65.6Low68.4Low83 Ų8382.5 Ų82.539%0.38843%0.434SS..Hα-helixtrans-62.6-27.7171.8-78.5174.220.600112.7S527 S533 P551 L555S527-Q531 WeakPolarHBondContact O-CB 3.47Å; S527-Q531 VanDerWaalsContact O-CG 3.23Å; S527-Q531 WeakPolarHBondContact O-CG 3.47Å; S527-Q531 PolarHBondContact O-N 3.47Å; Q531-S533 VanDerWaalsContact C-N 3.35Å; Q531-P551 HydrophobicContact CG-CB 3.91Å; Q531-P551 PolarHBondContact NE2-O 3.3Å; Q531-L555 VanDerWaalsContact NE2-CD1 3.33Å
532K62.8Low66.2Low175 Ų17580.8 Ų80.876%0.76145%0.446SS*.Hα-helixtrans-76.4-22173.5-66.3169.7-173.5170.90112.4Q528 E529 A530Q528-K532 WeakPolarHBondContact O-CG 3.5Å; E529-K532 WeakPolarHBondContact O-CB 3.23Å; E529-K532 PolarHBondContact O-N 3.06Å; E529-K532 VanDerWaalsContact O-N 3.14Å; A530-K532 PolarHBondContact O-N 2.86Å
533S56.7Low64.3Low71 Ų7182 Ų8250%0.49746%0.463SS..Hα-helixtrans-98.8-4.8-178.866.20000115.7E529 A530 Q531E529-S533 PolarHBondContact O-N 3.26Å; A530-S533 WeakPolarHBondContact CA-OG 3.48Å; A530-S533 PolarHBondContact O-N 2.92Å; A530-S533 PolarHBondContact O-OG 2.87Å; Q531-S533 VanDerWaalsContact C-N 3.35Å
534K53.6Low62.1Low195 Ų19587.2 Ų87.285%0.84849%0.487SS*.THydrogen-bonded Turntrans63.230.1178.6-67.8-171.5176.3-178.50116.1A530A530-K534 PolarHBondContact O-N 3.44Å
535D48.6Very low60.5Low122 Ų12294.2 Ų94.265%0.65252%0.52SS*.  trans-96.7142.6170.2-68.3-40000111.4C537D535-C537 PolarHBondContact O-N 2.88Å
536L46.1Very low58.9Low177 Ų17790.2 Ų90.293%0.92750%0.504SS*.  trans-65.1113177.6-87.3143.4000109.8
537C48.8Very low57.3Low47 Ų4790.6 Ų90.632%0.31851%0.511SS..  trans-91109.9-179.8-167.40000110.1D535D535-C537 PolarHBondContact O-N 2.88Å
538S50.3Low56.2Low97 Ų9798.4 Ų98.468%0.67855%0.552SS**  trans-88.6117.2164.254.80000108.4
539I54.5Low55.3Low4 Ų497.8 Ų97.82%0.02155%0.55CS.*  trans-103131.9-179.5-58.1173.3000108.5E523 V541 I546 Q554E523-I539 HydrophobicContact CG-CG2 4.47Å; I539-V541 HydrophobicContact CG2-CG2 4.3Å; I539-I546 HydrophobicContact CB-CD1 4.12Å; I539-I546 HydrophobicContact CG2-CD1 3.88Å; I539-I546 PolarHBondContact O-N 2.82Å; I539-Q554 HydrophobicContact CD1-CB 3.74Å; I539-Q554 HydrophobicContact CD1-CG 4.02Å; I539-Q554 VanDerWaalsContact CD1-OE1 3.3Å
540T51.1Low55Low75 Ų7596.3 Ų96.346%0.4655%0.55SS..EExtended strand (participates in β ladder)trans-107.8126.9175-410000108.8E544T540-E544 WeakPolarHBondContact CA-O 3.48Å; T540-E544 WeakPolarHBondContact CG2-O 3.49Å
541V53.5Low55Low45 Ų4598.2 Ų98.227%0.27356%0.56SS.*EExtended strand (participates in β ladder)trans-121.2124.7173.8170.90000107.7Y520 I539 G543 E544 I546Y520-V541 WeakPolarHBondContact OH-CG1 3.2Å; I539-V541 HydrophobicContact CG2-CG2 4.3Å; V541-G543 PolarHBondContact O-N 3.02Å; V541-G543 VanDerWaalsContact O-N 3.14Å; V541-E544 PolarHBondContact N-O 3.34Å; V541-E544 VanDerWaalsContact N-O 3.13Å; V541-E544 PolarHBondContact O-N 3.25Å; V541-I546 HydrophobicContact CB-CD1 4.39Å; V541-I546 HydrophobicContact CG2-CD1 3.75Å; V541-I546 HydrophobicContact CG2-CG1 4.37Å
542G46Very low55.4Low75 Ų75100.2 Ų100.277%0.77357%0.569SS**THydrogen-bonded Turntrans63.718.2178.400000115.3
543G50.3Low56.1Low71 Ų7196.9 Ų96.973%0.73256%0.558SS**THydrogen-bonded Turntrans90.1-1-177.200000115.4V541V541-G543 PolarHBondContact O-N 3.02Å; V541-G543 VanDerWaalsContact O-N 3.14Å
544E43.7Very low57Low157 Ų15794.1 Ų94.173%0.73454%0.537SS*.EExtended strand (participates in β ladder)trans-108.1139.6174.8-64.5-170.6164.100111.7T540 V541T540-E544 WeakPolarHBondContact CA-O 3.48Å; T540-E544 WeakPolarHBondContact CG2-O 3.49Å; V541-E544 PolarHBondContact N-O 3.34Å; V541-E544 VanDerWaalsContact N-O 3.13Å; V541-E544 PolarHBondContact O-N 3.25Å
545E53Low58.4Low159 Ų15985.8 Ų85.874%0.74350%0.502SS*.EExtended strand (participates in β ladder)trans-74.7122.8175.9-69.4-174.4172.700110.1
546I55.2Low60.2Low39 Ų3986 Ų8620%0.250%0.497CS..PPolyproline II helixtrans-64.8135.8175.9-58.4179000108.8I539 V541 M549I539-I546 HydrophobicContact CB-CD1 4.12Å; I539-I546 HydrophobicContact CG2-CD1 3.88Å; I539-I546 PolarHBondContact O-N 2.82Å; V541-I546 HydrophobicContact CB-CD1 4.39Å; V541-I546 HydrophobicContact CG2-CD1 3.75Å; V541-I546 HydrophobicContact CG2-CG1 4.37Å; I546-M549 HydrophobicContact CG2-CE 3.26Å
547P53.3Low62.1Low96 Ų9681.1 Ų81.162%0.62347%0.474SS*.PPolyproline II helixtrans-55.4145.417520.7-31.5000111.4M549P547-M549 HydrophobicContact CG-CE 4.36Å; P547-M549 WeakPolarHBondContact O-CG 3.48Å; P547-M549 PolarHBondContact O-N 3.38Å
548N56Low64Low165 Ų16579 Ų7988%0.88246%0.46SS*.SBendtrans-51.695.3-178-90.5-26.4000111.9
549M63.1Low65.9Low69 Ų6978 Ų7834%0.3444%0.444SS..  trans-113.1152.2177.8-78.7-168.1-82.100110.1I546 P547 Q554I546-M549 HydrophobicContact CG2-CE 3.26Å; P547-M549 HydrophobicContact CG-CE 4.36Å; P547-M549 WeakPolarHBondContact O-CG 3.48Å; P547-M549 PolarHBondContact O-N 3.38Å; M549-Q554 HydrophobicContact CB-CG 4.3Å
550P73.6Confident67.7Low73 Ų7381 Ų8147%0.47447%0.466SS..  trans-56.1142.8174.2-23.433.2000111.6E552 M553 Q554P550-E552 PolarHBondContact O-N 2.88Å; P550-E552 VanDerWaalsContact O-N 3.08Å; P550-M553 HydrophobicContact CG-SD 4.3Å; P550-M553 WeakPolarHBondContact O-CB 3.4Å; P550-M553 PolarHBondContact O-N 3.32Å; P550-Q554 PolarHBondContact O-N 3.48Å
551P69Low69.7Low67 Ų6777.7 Ų77.744%0.43545%0.446SS..Hα-helixtrans-57.9-28.5-175.5-24.332.3000114.6Q531 L555Q531-P551 HydrophobicContact CG-CB 3.91Å; Q531-P551 PolarHBondContact NE2-O 3.3Å; P551-L555 PolarHBondContact O-N 2.94Å
552E74.6Confident71.7Confident125 Ų12576.5 Ų76.558%0.58444%0.438SS*.Hα-helixtrans-69.7-35.9175.8-163.7-162.9142.200112.4P550 K556P550-E552 PolarHBondContact O-N 2.88Å; P550-E552 VanDerWaalsContact O-N 3.08Å; E552-K556 WeakPolarHBondContact O-CG 3.41Å; E552-K556 PolarHBondContact O-N 3.14Å; E552-K556 WeakPolarHBondContact OE1-CE 3.42Å; E552-K556 IonicContact OE1-NZ 2.97Å; E552-K556 PolarHBondContact OE1-NZ 3.21Å
553M77.4Confident74Confident106 Ų10679.5 Ų79.552%0.52243%0.43SS..Hα-helixtrans-71.8-37.2176-71.6-174.4175.600111.1P550 K556 V557P550-M553 HydrophobicContact CG-SD 4.3Å; P550-M553 WeakPolarHBondContact O-CB 3.4Å; P550-M553 PolarHBondContact O-N 3.32Å; M553-K556 PolarHBondContact O-N 2.91Å; M553-V557 WeakPolarHBondContact O-CG2 3.4Å; M553-V557 PolarHBondContact O-N 2.75Å; M553-V557 VanDerWaalsContact O-N 3.11Å
554Q74.5Confident76.2Confident12 Ų1277.9 Ų77.96%0.05641%0.406CS..Hα-helixtrans-58.6-47.2174.1-71.5176.6-19.600111.9I539 M549 P550 K556 V557 L558I539-Q554 HydrophobicContact CD1-CB 3.74Å; I539-Q554 HydrophobicContact CD1-CG 4.02Å; I539-Q554 VanDerWaalsContact CD1-OE1 3.3Å; M549-Q554 HydrophobicContact CB-CG 4.3Å; P550-Q554 PolarHBondContact O-N 3.48Å; Q554-K556 VanDerWaalsContact C-N 3.3Å; Q554-K556 PolarHBondContact O-N 3.01Å; Q554-V557 PolarHBondContact O-N 3.42Å; Q554-V557 VanDerWaalsContact O-N 3.16Å; Q554-L558 PolarHBondContact O-N 3.36Å; Q554-L558 VanDerWaalsContact O-N 3.14Å
555L83.7Confident78.7Confident20 Ų2070.5 Ų70.511%0.10537%0.371CS..Hα-helixtrans-59.9-39175.6-76.9174.3000112.6I524 Q528 Q531 P551 V557 L558 H559I524-L555 HydrophobicContact CB-CD2 4.44Å; I524-L555 HydrophobicContact CG1-CD2 4.43Å; I524-L555 HydrophobicContact CG2-CD2 4.09Å; Q528-L555 HydrophobicContact CG-CD1 4.11Å; Q528-L555 HydrophobicContact CG-CD2 4.11Å; Q531-L555 VanDerWaalsContact NE2-CD1 3.33Å; P551-L555 PolarHBondContact O-N 2.94Å; L555-V557 VanDerWaalsContact C-N 3.32Å; L555-V557 PolarHBondContact O-N 3.28Å; L555-L558 PolarHBondContact O-N 3.45Å; L555-H559 PolarHBondContact O-CD2 3.47Å; L555-H559 PolarHBondContact O-N 3.18Å
556K86.4Confident80.8Confident127 Ų12766.7 Ų66.755%0.55236%0.356SS*.Hα-helixtrans-63.1-37.8176.6-74.1175.5-173.3163.80112.2E552 M553 Q554 H559 S560E552-K556 WeakPolarHBondContact O-CG 3.41Å; E552-K556 PolarHBondContact O-N 3.14Å; E552-K556 WeakPolarHBondContact OE1-CE 3.42Å; E552-K556 IonicContact OE1-NZ 2.97Å; E552-K556 PolarHBondContact OE1-NZ 3.21Å; M553-K556 PolarHBondContact O-N 2.91Å; Q554-K556 VanDerWaalsContact C-N 3.3Å; Q554-K556 PolarHBondContact O-N 3.01Å; K556-H559 PolarHBondContact O-N 3.37Å; K556-S560 PolarHBondContact O-N 3.14Å
557V85.9Confident82.8Confident74 Ų7469.2 Ų69.245%0.44837%0.37SS..Hα-helixtrans-64.5-45.7175.6174.50000110.8M553 Q554 L555 H559 S560 A561M553-V557 WeakPolarHBondContact O-CG2 3.4Å; M553-V557 PolarHBondContact O-N 2.75Å; M553-V557 VanDerWaalsContact O-N 3.11Å; Q554-V557 PolarHBondContact O-N 3.42Å; Q554-V557 VanDerWaalsContact O-N 3.16Å; L555-V557 VanDerWaalsContact C-N 3.32Å; L555-V557 PolarHBondContact O-N 3.28Å; V557-H559 VanDerWaalsContact C-N 3.35Å; V557-H559 PolarHBondContact O-N 3.31Å; V557-S560 WeakPolarHBondContact O-CB 3.22Å; V557-S560 PolarHBondContact O-N 2.96Å; V557-S560 VanDerWaalsContact O-N 3.14Å; V557-A561 PolarHBondContact O-N 3.27Å; V557-A561 VanDerWaalsContact O-N 3.12Å
558L87.9Confident84.9Confident4 Ų464.7 Ų64.72%0.02134%0.34CS..Hα-helixtrans-62.4-41.1177.2-62.8175000112.1Y520 E523 I524 Q554 L555 S560 A561 L562Y520-L558 HydrophobicContact CD1-CB 4.41Å; Y520-L558 HydrophobicContact CD1-CD2 3.58Å; Y520-L558 HydrophobicContact CE1-CD2 3.76Å; E523-L558 HydrophobicContact CB-CD1 4.39Å; E523-L558 HydrophobicContact CG-CD1 3.97Å; E523-L558 HydrophobicContact CG-CD2 4.41Å; I524-L558 HydrophobicContact CD1-CB 3.86Å; I524-L558 HydrophobicContact CG1-CB 3.55Å; I524-L558 HydrophobicContact CG1-CD1 3.77Å; I524-L558 HydrophobicContact CG1-CG 4.31Å; Q554-L558 PolarHBondContact O-N 3.36Å; Q554-L558 VanDerWaalsContact O-N 3.14Å; L555-L558 PolarHBondContact O-N 3.45Å; L558-S560 VanDerWaalsContact C-N 3.33Å; L558-S560 PolarHBondContact O-N 3.39Å; L558-A561 WeakPolarHBondContact O-CB 3.35Å; L558-A561 PolarHBondContact O-N 3.46Å; L558-L562 PolarHBondContact O-N 3.16Å
559H91.4Very high86.9Confident74 Ų7459.7 Ų59.734%0.34331%0.311SS..Hα-helixtrans-63.8-37.3173.8-80.3-62.1000112.7L555 K556 V557 A561 L562 F563L555-H559 PolarHBondContact O-CD2 3.47Å; L555-H559 PolarHBondContact O-N 3.18Å; K556-H559 PolarHBondContact O-N 3.37Å; V557-H559 VanDerWaalsContact C-N 3.35Å; V557-H559 PolarHBondContact O-N 3.31Å; H559-A561 VanDerWaalsContact C-N 3.26Å; H559-A561 PolarHBondContact O-N 3.06Å; H559-L562 PolarHBondContact O-N 2.78Å; H559-F563 HydrophobicContact CB-CE2 4.45Å; H559-F563 VanDerWaalsContact O-CD2 3.23Å; H559-F563 WeakPolarHBondContact O-CD2 3.44Å; H559-F563 WeakPolarHBondContact O-CG 3.46Å; H559-F563 PolarHBondContact O-N 2.81Å; H559-F563 VanDerWaalsContact O-N 3.14Å
560S92.4Very high88.5Confident68 Ų6859.7 Ų59.748%0.47632%0.318SS..Hα-helixtrans-60.2-37.6174.1-169.60000112.1K556 V557 L558 F563 T564K556-S560 PolarHBondContact O-N 3.14Å; V557-S560 WeakPolarHBondContact O-CB 3.22Å; V557-S560 PolarHBondContact O-N 2.96Å; V557-S560 VanDerWaalsContact O-N 3.14Å; L558-S560 VanDerWaalsContact C-N 3.33Å; L558-S560 PolarHBondContact O-N 3.39Å; S560-F563 PolarHBondContact O-N 3.14Å; S560-T564 PolarHBondContact O-N 3.46Å; S560-T564 PolarHBondContact O-OG1 3.2Å
561A92.7Very high89.7Confident6 Ų656.9 Ų56.95%0.0530%0.3CS..Hα-helixtrans-64.2-44.417600000112.2L465 Y520 V557 L558 H559 F563 T564 F565L465-A561 HydrophobicContact CD1-CB 3.61Å; L465-A561 HydrophobicContact CD2-CB 3.73Å; L465-A561 HydrophobicContact CG-CB 4.26Å; Y520-A561 HydrophobicContact CD1-CB 3.65Å; Y520-A561 HydrophobicContact CE1-CB 3.52Å; Y520-A561 HydrophobicContact CG-CB 4.45Å; V557-A561 PolarHBondContact O-N 3.27Å; V557-A561 VanDerWaalsContact O-N 3.12Å; L558-A561 WeakPolarHBondContact O-CB 3.35Å; L558-A561 PolarHBondContact O-N 3.46Å; H559-A561 VanDerWaalsContact C-N 3.26Å; H559-A561 PolarHBondContact O-N 3.06Å; A561-F563 VanDerWaalsContact C-N 3.32Å; A561-F563 PolarHBondContact O-N 3.11Å; A561-T564 WeakPolarHBondContact O-CB 3.25Å; A561-T564 PolarHBondContact O-N 3.26Å; A561-T564 VanDerWaalsContact O-N 3.11Å; A561-F565 HydrophobicContact CB-CE2 4.29Å; A561-F565 HydrophobicContact CB-CZ 4.42Å; A561-F565 WeakPolarHBondContact O-CD2 3.32Å; A561-F565 WeakPolarHBondContact O-CG 3.4Å; A561-F565 PolarHBondContact O-N 3.2Å; A561-F565 VanDerWaalsContact O-N 3.09Å
562L94.6Very high91.1Very high19 Ų1953.7 Ų53.710%0.09928%0.279CS..Hα-helixtrans-59.5-41.6176.8-68.1-176.8000112.3K517 E521 I524 L558 H559 T564 F565 D566K517-L562 HydrophobicContact CB-CD2 4.46Å; K517-L562 HydrophobicContact CG-CD2 4.4Å; E521-L562 HydrophobicContact CG-CD1 4.01Å; E521-L562 HydrophobicContact CG-CD2 4.16Å; I524-L562 HydrophobicContact CD1-CD1 3.52Å; I524-L562 HydrophobicContact CD1-CG 4.27Å; L558-L562 PolarHBondContact O-N 3.16Å; H559-L562 PolarHBondContact O-N 2.78Å; L562-T564 VanDerWaalsContact C-N 3.28Å; L562-T564 PolarHBondContact O-N 3.36Å; L562-F565 HydrophobicContact CD2-CD2 4.09Å; L562-F565 PolarHBondContact O-N 2.92Å; L562-F565 VanDerWaalsContact O-N 3.11Å; L562-D566 PolarHBondContact O-N 2.88Å
563F95.3Very high92.1Very high138 Ų13850.1 Ų50.161%0.60527%0.27SS*.Hα-helixtrans-61-37.2175.7-63.7-42.9000112.7H559 S560 A561 L567H559-F563 HydrophobicContact CB-CE2 4.45Å; H559-F563 VanDerWaalsContact O-CD2 3.23Å; H559-F563 WeakPolarHBondContact O-CD2 3.44Å; H559-F563 WeakPolarHBondContact O-CG 3.46Å; H559-F563 PolarHBondContact O-N 2.81Å; H559-F563 VanDerWaalsContact O-N 3.14Å; S560-F563 PolarHBondContact O-N 3.14Å; A561-F563 VanDerWaalsContact C-N 3.32Å; A561-F563 PolarHBondContact O-N 3.11Å; F563-L567 WeakPolarHBondContact O-CB 3.32Å; F563-L567 PolarHBondContact O-N 3.22Å
564T95.8Very high93.1Very high37 Ų3749.2 Ų49.223%0.22726%0.261CS..Hα-helixtrans-63.5-43.1174.2-56.70000111.1L465 S560 A561 L562 L567 I568L465-T564 HydrophobicContact CD2-CG2 4.09Å; S560-T564 PolarHBondContact O-N 3.46Å; S560-T564 PolarHBondContact O-OG1 3.2Å; A561-T564 WeakPolarHBondContact O-CB 3.25Å; A561-T564 PolarHBondContact O-N 3.26Å; A561-T564 VanDerWaalsContact O-N 3.11Å; L562-T564 VanDerWaalsContact C-N 3.28Å; L562-T564 PolarHBondContact O-N 3.36Å; T564-L567 PolarHBondContact O-N 3.21Å; T564-I568 HydrophobicContact CG2-CD1 4.19Å; T564-I568 WeakPolarHBondContact O-CG1 3.44Å; T564-I568 PolarHBondContact O-N 3.14Å
565F97.3Very high94.2Very high2 Ų248.6 Ų48.61%0.00926%0.259CS..Hα-helixtrans-66-42.6177.3-55.5-34.1000112.5L464 L465 L513 K517 Y520 A561 L562 L567 I568 E569L464-F565 HydrophobicContact CB-CD1 4.21Å; L464-F565 HydrophobicContact CB-CE1 3.82Å; L465-F565 HydrophobicContact CD1-CZ 4.22Å; L465-F565 HydrophobicContact CD2-CD1 4.28Å; L465-F565 HydrophobicContact CD2-CE1 3.5Å; L465-F565 HydrophobicContact CD2-CZ 3.72Å; L465-F565 HydrophobicContact CG-CE1 3.7Å; L465-F565 HydrophobicContact CG-CZ 3.71Å; L513-F565 HydrophobicContact CD2-CB 3.88Å; L513-F565 HydrophobicContact CD2-CD1 4.34Å; L513-F565 HydrophobicContact CD2-CG 4.42Å; K517-F565 HydrophobicContact CD-CB 4.36Å; K517-F565 HydrophobicContact CG-CB 3.85Å; K517-F565 HydrophobicContact CG-CD2 3.95Å; K517-F565 HydrophobicContact CG-CG 4.3Å; Y520-F565 AromaticContact CD2-CE2 3.77Å; Y520-F565 HydrophobicContact CD2-CE2 3.77Å; Y520-F565 HydrophobicContact CD2-CZ 4.17Å; Y520-F565 HydrophobicContact CE2-CE2 4.1Å; Y520-F565 HydrophobicContact CE2-CZ 4.02Å; Y520-F565 HydrophobicContact CG-CE2 4.09Å; A561-F565 HydrophobicContact CB-CE2 4.29Å; A561-F565 HydrophobicContact CB-CZ 4.42Å; A561-F565 WeakPolarHBondContact O-CD2 3.32Å; A561-F565 WeakPolarHBondContact O-CG 3.4Å; A561-F565 PolarHBondContact O-N 3.2Å; A561-F565 VanDerWaalsContact O-N 3.09Å; L562-F565 HydrophobicContact CD2-CD2 4.09Å; L562-F565 PolarHBondContact O-N 2.92Å; L562-F565 VanDerWaalsContact O-N 3.11Å; F565-L567 VanDerWaalsContact C-N 3.29Å; F565-L567 PolarHBondContact O-N 3.12Å; F565-I568 PolarHBondContact O-N 2.76Å; F565-E569 WeakPolarHBondContact O-CB 3.13Å; F565-E569 PolarHBondContact O-N 2.65Å
566D96.9Very high94.7Very high79 Ų7950.8 Ų50.842%0.42227%0.268SS..Hα-helixtrans-60.4-40.2174.6-73.5-19.7000111.7K517 L562 E569 S570K517-D566 WeakPolarHBondContact CE-OD1 3.45Å; K517-D566 IonicContact NZ-OD1 2.57Å; K517-D566 PolarHBondContact NZ-OD1 3.4Å; L562-D566 PolarHBondContact O-N 2.88Å; D566-E569 PolarHBondContact O-N 2.55Å; D566-S570 WeakPolarHBondContact O-CB 3.49Å; D566-S570 PolarHBondContact O-N 2.57Å
567L97.1Very high95.2Very high93 Ų9348.8 Ų48.849%0.48726%0.261SS..Hα-helixtrans-62-48.8175.7179.861.9000111.3M472 F563 T564 F565 E569 S570 V571M472-L567 HydrophobicContact CE-CD1 4.23Å; M472-L567 HydrophobicContact CE-CD2 4.04Å; M472-L567 HydrophobicContact CE-CG 3.81Å; M472-L567 HydrophobicContact SD-CG 4.25Å; F563-L567 WeakPolarHBondContact O-CB 3.32Å; F563-L567 PolarHBondContact O-N 3.22Å; T564-L567 PolarHBondContact O-N 3.21Å; F565-L567 VanDerWaalsContact C-N 3.29Å; F565-L567 PolarHBondContact O-N 3.12Å; L567-E569 PolarHBondContact O-N 3.45Å; L567-S570 PolarHBondContact O-N 2.85Å; L567-S570 PolarHBondContact O-OG 3.34Å; L567-V571 PolarHBondContact O-N 3.13Å
568I97.9Very high95.6Very high0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-60.3-47.5178.2-64.7166.2000110.4I471 M472 L475 L509 L513 T564 F565 S570 V571 L572I471-I568 HydrophobicContact CG2-CG2 3.86Å; M472-I568 HydrophobicContact CG-CG1 4.06Å; M472-I568 HydrophobicContact SD-CB 4.39Å; M472-I568 HydrophobicContact SD-CG1 3.87Å; L475-I568 HydrophobicContact CD1-CG2 3.89Å; L509-I568 HydrophobicContact CD1-CG2 4.41Å; L509-I568 HydrophobicContact CD2-CG2 4.26Å; L513-I568 HydrophobicContact CD1-CG2 4.09Å; L513-I568 HydrophobicContact CD2-CB 4.13Å; L513-I568 HydrophobicContact CD2-CG2 4.12Å; T564-I568 HydrophobicContact CG2-CD1 4.19Å; T564-I568 WeakPolarHBondContact O-CG1 3.44Å; T564-I568 PolarHBondContact O-N 3.14Å; F565-I568 PolarHBondContact O-N 2.76Å; I568-S570 VanDerWaalsContact C-N 3.32Å; I568-S570 PolarHBondContact O-N 3.49Å; I568-V571 PolarHBondContact O-N 3.23Å; I568-L572 WeakPolarHBondContact O-CB 3.2Å; I568-L572 PolarHBondContact O-N 3.01Å
569E97.6Very high95.9Very high61 Ų6146.2 Ų46.229%0.28524%0.244SC..Hα-helixtrans-61.4-40.3-179.6-169.3176.4-131.400111.9L513 K517 F565 D566 L567 V571 L572 A573L513-E569 HydrophobicContact CD1-CB 4.01Å; L513-E569 HydrophobicContact CD1-CG 4.4Å; K517-E569 IonicContact NZ-OE1 3.64Å; K517-E569 IonicContact NZ-OE2 2.74Å; K517-E569 PolarHBondContact NZ-OE2 3.23Å; F565-E569 WeakPolarHBondContact O-CB 3.13Å; F565-E569 PolarHBondContact O-N 2.65Å; D566-E569 PolarHBondContact O-N 2.55Å; L567-E569 PolarHBondContact O-N 3.45Å; E569-V571 VanDerWaalsContact C-N 3.29Å; E569-V571 PolarHBondContact O-N 3.3Å; E569-L572 PolarHBondContact O-N 3.43Å; E569-A573 WeakPolarHBondContact O-CB 3.48Å; E569-A573 PolarHBondContact O-N 3.39Å
570S97.5Very high95.9Very high69 Ų6947.7 Ų47.748%0.48325%0.252SS..Hα-helixtrans-61.7-36.7177.776.40000112.8D566 L567 I568 R574D566-S570 WeakPolarHBondContact O-CB 3.49Å; D566-S570 PolarHBondContact O-N 2.57Å; L567-S570 PolarHBondContact O-N 2.85Å; L567-S570 PolarHBondContact O-OG 3.34Å; I568-S570 VanDerWaalsContact C-N 3.32Å; I568-S570 PolarHBondContact O-N 3.49Å; S570-R574 PolarHBondContact O-N 2.88Å
571V97.8Very high95.8Very high14 Ų1448.7 Ų48.79%0.08525%0.251CS..Hα-helixtrans-75.9-40.9177-178.40000110.6M472 L475 L567 I568 E569 R574 V575M472-V571 HydrophobicContact CE-CG2 3.72Å; M472-V571 HydrophobicContact SD-CB 4.48Å; M472-V571 HydrophobicContact SD-CG2 4.13Å; L475-V571 HydrophobicContact CB-CG1 3.75Å; L475-V571 HydrophobicContact CD1-CB 4.31Å; L475-V571 HydrophobicContact CD1-CG1 4.31Å; L567-V571 PolarHBondContact O-N 3.13Å; I568-V571 PolarHBondContact O-N 3.23Å; E569-V571 VanDerWaalsContact C-N 3.29Å; E569-V571 PolarHBondContact O-N 3.3Å; V571-R574 PolarHBondContact O-N 2.92Å; V571-V575 WeakPolarHBondContact O-CG2 3.24Å; V571-V575 PolarHBondContact O-N 2.74Å
572L97.8Very high95.6Very high0 Ų050.8 Ų50.80%026%0.259CS..Hα-helixtrans-58-51.8175.9175.457.1000111.4L475 L506 L509 H510 L513 I568 E569 R574 V575 E576L475-L572 HydrophobicContact CD1-CB 4.27Å; L475-L572 HydrophobicContact CD2-CB 4.39Å; L475-L572 HydrophobicContact CD2-CD1 3.99Å; L506-L572 HydrophobicContact CB-CD1 4.27Å; L506-L572 HydrophobicContact CD2-CD1 3.54Å; L506-L572 HydrophobicContact CG-CD1 4.44Å; L509-L572 HydrophobicContact CB-CD2 4.46Å; L509-L572 HydrophobicContact CD2-CD1 4.46Å; L509-L572 HydrophobicContact CD2-CD2 4.1Å; L509-L572 HydrophobicContact CG-CD2 4.11Å; H510-L572 VanDerWaalsContact CE1-CD2 3.46Å; H510-L572 WeakPolarHBondContact CE1-CD2 3.41Å; L513-L572 HydrophobicContact CD1-CD2 3.86Å; I568-L572 WeakPolarHBondContact O-CB 3.2Å; I568-L572 PolarHBondContact O-N 3.01Å; E569-L572 PolarHBondContact O-N 3.43Å; L572-R574 PolarHBondContact O-N 3.29Å; L572-V575 WeakPolarHBondContact O-CB 3.24Å; L572-V575 PolarHBondContact O-N 2.85Å; L572-E576 HydrophobicContact CD1-CG 4.47Å; L572-E576 PolarHBondContact O-N 3.16Å
573A97.1Very high95.1Very high49 Ų4952.4 Ų52.441%0.40527%0.269SS..Hα-helixtrans-56.9-39.4176.800000111.7E569 E576 E577E569-A573 WeakPolarHBondContact O-CB 3.48Å; E569-A573 PolarHBondContact O-N 3.39Å; A573-E576 PolarHBondContact O-N 3.33Å; A573-E577 WeakPolarHBondContact O-CB 3.49Å; A573-E577 PolarHBondContact O-N 2.93Å
574R97.4Very high94.3Very high87 Ų8750.9 Ų50.933%0.32826%0.262SS..Hα-helixtrans-67.4-34.6176.5179.856.4-172.3-179.64.8113.1S570 V571 L572 E577 L578S570-R574 PolarHBondContact O-N 2.88Å; V571-R574 PolarHBondContact O-N 2.92Å; L572-R574 PolarHBondContact O-N 3.29Å; R574-E577 WeakPolarHBondContact CD-OE2 3.37Å; R574-E577 IonicContact CZ-OE1 2.81Å; R574-E577 IonicContact CZ-OE2 3.29Å; R574-E577 IonicContact NE-OE2 3.28Å; R574-E577 IonicContact NH1-OE1 3.96Å; R574-E577 PolarHBondContact NH1-OE1 3.08Å; R574-E577 IonicContact NH1-OE2 3.16Å; R574-E577 PolarHBondContact NH1-OE2 3.09Å; R574-L578 HydrophobicContact CG-CD1 4.36Å; R574-L578 WeakPolarHBondContact O-CD1 3.26Å; R574-L578 VanDerWaalsContact O-CG 3.29Å; R574-L578 WeakPolarHBondContact O-CG 3.47Å; R574-L578 PolarHBondContact O-N 3.33Å
575V96.9Very high92.9Very high0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-65.4-46.9175.6168.80000110L478 R479 V571 L572 L578 I579L478-V575 HydrophobicContact CB-CG1 4.49Å; L478-V575 HydrophobicContact CD2-CG1 3.79Å; L478-V575 HydrophobicContact CG-CG1 3.9Å; R479-V575 HydrophobicContact CB-CG2 3.78Å; R479-V575 HydrophobicContact CG-CG2 4.48Å; V571-V575 WeakPolarHBondContact O-CG2 3.24Å; V571-V575 PolarHBondContact O-N 2.74Å; L572-V575 WeakPolarHBondContact O-CB 3.24Å; L572-V575 PolarHBondContact O-N 2.85Å; V575-L578 WeakPolarHBondContact O-CB 3.29Å; V575-L578 PolarHBondContact O-N 3.3Å; V575-I579 HydrophobicContact CG1-CD1 3.77Å; V575-I579 HydrophobicContact CG1-CG1 4.49Å; V575-I579 WeakPolarHBondContact O-CG1 3.49Å; V575-I579 PolarHBondContact O-N 3.48Å
576E95.7Very high91.1Very high66 Ų6651.9 Ų51.931%0.30827%0.271SS..Hα-helixtrans-64.5-42179.5-67.3-179.3148.600112.4H510 L572 A573 L578 I579 E580H510-E576 IonicContact CD2-OE1 4Å; H510-E576 PolarHBondContact CD2-OE1 3.18Å; H510-E576 IonicContact CE1-OE2 2.65Å; H510-E576 IonicContact NE2-OE1 2.55Å; H510-E576 PolarHBondContact NE2-OE1 3.08Å; H510-E576 IonicContact NE2-OE2 2.81Å; H510-E576 PolarHBondContact NE2-OE2 3.22Å; L572-E576 HydrophobicContact CD1-CG 4.47Å; L572-E576 PolarHBondContact O-N 3.16Å; A573-E576 PolarHBondContact O-N 3.33Å; E576-L578 VanDerWaalsContact C-N 3.27Å; E576-L578 PolarHBondContact O-N 2.98Å; E576-I579 PolarHBondContact O-N 3.5Å; E576-E580 PolarHBondContact O-N 2.96Å
577E96.4Very high89.4Confident84 Ų8451.1 Ų51.139%0.39327%0.271SS..Hα-helixtrans-55.6-44.2173.5-172.1-159.2155.700111.3A573 R574 E580 I581A573-E577 WeakPolarHBondContact O-CB 3.49Å; A573-E577 PolarHBondContact O-N 2.93Å; R574-E577 WeakPolarHBondContact CD-OE2 3.37Å; R574-E577 IonicContact CZ-OE1 2.81Å; R574-E577 IonicContact CZ-OE2 3.29Å; R574-E577 IonicContact NE-OE2 3.28Å; R574-E577 IonicContact NH1-OE1 3.96Å; R574-E577 PolarHBondContact NH1-OE1 3.08Å; R574-E577 IonicContact NH1-OE2 3.16Å; R574-E577 PolarHBondContact NH1-OE2 3.09Å; E577-E580 PolarHBondContact O-N 3.38Å; E577-I581 HydrophobicContact CG-CD1 3.93Å; E577-I581 WeakPolarHBondContact O-CB 3.24Å; E577-I581 WeakPolarHBondContact O-CD1 3.23Å; E577-I581 WeakPolarHBondContact O-CG1 3.46Å; E577-I581 PolarHBondContact O-N 3.06Å
578L94.6Very high87.5Confident16 Ų1653.5 Ų53.58%0.08428%0.28CS..Hα-helixtrans-67.9-39.9178.7-74.8169.3000112.6R479 V482 I483 R574 V575 E576 E580 K582R479-L578 HydrophobicContact CG-CD1 3.85Å; V482-L578 HydrophobicContact CG1-CB 3.8Å; I483-L578 HydrophobicContact CD1-CD1 3.91Å; I483-L578 HydrophobicContact CG1-CD1 3.88Å; I483-L578 HydrophobicContact CG1-CD2 4.39Å; R574-L578 HydrophobicContact CG-CD1 4.36Å; R574-L578 WeakPolarHBondContact O-CD1 3.26Å; R574-L578 VanDerWaalsContact O-CG 3.29Å; R574-L578 WeakPolarHBondContact O-CG 3.47Å; R574-L578 PolarHBondContact O-N 3.33Å; V575-L578 WeakPolarHBondContact O-CB 3.29Å; V575-L578 PolarHBondContact O-N 3.3Å; E576-L578 VanDerWaalsContact C-N 3.27Å; E576-L578 PolarHBondContact O-N 2.98Å; L578-E580 VanDerWaalsContact C-N 3.35Å; L578-K582 WeakPolarHBondContact O-CB 3.41Å; L578-K582 WeakPolarHBondContact O-CG 3.47Å; L578-K582 PolarHBondContact O-N 3.27Å
579I93.2Very high85.5Confident9 Ų959.3 Ų59.35%0.04631%0.307CS..Hα-helixtrans-59.1-50174.9-70.9163.1000109.1V482 L498 L506 V575 E576 I581 K582 T583V482-I579 HydrophobicContact CG1-CG1 4.16Å; V482-I579 HydrophobicContact CG2-CD1 4.44Å; V482-I579 HydrophobicContact CG2-CG1 3.75Å; L498-I579 HydrophobicContact CD1-CD1 3.88Å; L498-I579 HydrophobicContact CD1-CG1 4.16Å; L498-I579 HydrophobicContact CD1-CG2 4.09Å; L498-I579 HydrophobicContact CD2-CG2 3.74Å; L498-I579 HydrophobicContact CG-CG2 4.42Å; L506-I579 HydrophobicContact CD1-CD1 4.11Å; V575-I579 HydrophobicContact CG1-CD1 3.77Å; V575-I579 HydrophobicContact CG1-CG1 4.49Å; V575-I579 WeakPolarHBondContact O-CG1 3.49Å; V575-I579 PolarHBondContact O-N 3.48Å; E576-I579 PolarHBondContact O-N 3.5Å; I579-I581 PolarHBondContact O-N 2.84Å; I579-K582 PolarHBondContact O-N 2.98Å; I579-T583 PolarHBondContact O-N 2.95Å; I579-T583 PolarHBondContact O-OG1 3.36Å
580E92.1Very high83.3Confident105 Ų10560.9 Ų60.949%0.49132%0.318SS..Hα-helixtrans-61-45.6-179.5-170.2-176.6-174.200112.2E576 E577 L578 K584E576-E580 PolarHBondContact O-N 2.96Å; E577-E580 PolarHBondContact O-N 3.38Å; L578-E580 VanDerWaalsContact C-N 3.35Å; E580-K584 HydrophobicContact CG-CD 4.15Å; E580-K584 WeakPolarHBondContact O-CB 3.27Å; E580-K584 WeakPolarHBondContact O-CG 3.43Å; E580-K584 PolarHBondContact O-N 3.01Å; E580-K584 VanDerWaalsContact OE1-CE 3.22Å; E580-K584 WeakPolarHBondContact OE1-CE 3.38Å; E580-K584 IonicContact OE1-NZ 2.75Å; E580-K584 PolarHBondContact OE1-NZ 3.5Å
581I91.1Very high81.2Confident89 Ų8963.7 Ų63.746%0.45633%0.326SS..Hα-helixtrans-60.8-47179-71.1165.6000111E577 I579 S585E577-I581 HydrophobicContact CG-CD1 3.93Å; E577-I581 WeakPolarHBondContact O-CB 3.24Å; E577-I581 WeakPolarHBondContact O-CD1 3.23Å; E577-I581 WeakPolarHBondContact O-CG1 3.46Å; E577-I581 PolarHBondContact O-N 3.06Å; I579-I581 PolarHBondContact O-N 2.84Å; I581-S585 WeakPolarHBondContact O-CB 3.42Å; I581-S585 PolarHBondContact O-N 2.92Å; I581-S585 PolarHBondContact O-OG 3.28Å
582K87.2Confident78.9Confident50 Ų5066.3 Ų66.322%0.21736%0.355CS..Hα-helixtrans-66.8-46.4-177.1-77.8-74.5-165.5168.10111.5V482 N486 W495 L578 I579 K584 S585 T586V482-K582 HydrophobicContact CG1-CG 4.18Å; V482-K582 WeakPolarHBondContact O-CE 3.23Å; N486-K582 PolarHBondContact OD1-NZ 2.77Å; W495-K582 HydrophobicContact CH2-CB 3.53Å; W495-K582 HydrophobicContact CH2-CG 4.24Å; W495-K582 HydrophobicContact CZ2-CB 4.19Å; W495-K582 HydrophobicContact CZ3-CB 4.39Å; L578-K582 WeakPolarHBondContact O-CB 3.41Å; L578-K582 WeakPolarHBondContact O-CG 3.47Å; L578-K582 PolarHBondContact O-N 3.27Å; I579-K582 PolarHBondContact O-N 2.98Å; K582-K584 PolarHBondContact O-N 3.22Å; K582-S585 PolarHBondContact O-N 3.48Å; K582-S585 PolarHBondContact O-OG 2.92Å; K582-T586 PolarHBondContact O-N 3.37Å; K582-T586 PolarHBondContact O-OG1 2.87Å
583T83.9Confident76.5Confident52 Ų5273.4 Ų73.432%0.31939%0.392SS..Hα-helixtrans-65-39.1179.3-51.50000112.3I579 S587I579-T583 PolarHBondContact O-N 2.95Å; I579-T583 PolarHBondContact O-OG1 3.36Å; T583-S587 PolarHBondContact O-N 2.97Å
584K78.4Confident73.7Confident107 Ų10783.4 Ų83.447%0.46543%0.426SS..Hα-helixtrans-65.3-44.3176-75.3-178.8-175.51750112.3E580 K582 T586 S587 E588E580-K584 HydrophobicContact CG-CD 4.15Å; E580-K584 WeakPolarHBondContact O-CB 3.27Å; E580-K584 WeakPolarHBondContact O-CG 3.43Å; E580-K584 PolarHBondContact O-N 3.01Å; E580-K584 VanDerWaalsContact OE1-CE 3.22Å; E580-K584 WeakPolarHBondContact OE1-CE 3.38Å; E580-K584 IonicContact OE1-NZ 2.75Å; E580-K584 PolarHBondContact OE1-NZ 3.5Å; K582-K584 PolarHBondContact O-N 3.22Å; K584-T586 VanDerWaalsContact C-N 3.29Å; K584-T586 PolarHBondContact O-N 2.87Å; K584-S587 PolarHBondContact O-N 3.23Å; K584-S587 VanDerWaalsContact O-N 3.13Å; K584-S587 PolarHBondContact O-OG 3.46Å; K584-E588 PolarHBondContact O-N 3.04Å; K584-E588 VanDerWaalsContact O-N 3.09Å
585S67Low72.5Confident50 Ų5083.2 Ų83.235%0.3543%0.431SS..Hα-helixtrans-57.9-39.4178.565.10000113.1I581 K582 E588 E589I581-S585 WeakPolarHBondContact O-CB 3.42Å; I581-S585 PolarHBondContact O-N 2.92Å; I581-S585 PolarHBondContact O-OG 3.28Å; K582-S585 PolarHBondContact O-N 3.48Å; K582-S585 PolarHBondContact O-OG 2.92Å; S585-E588 PolarHBondContact O-N 3.38Å; S585-E589 PolarHBondContact O-N 3.42Å; S585-E589 VanDerWaalsContact O-N 3.09Å
586T59.8Low71.2Confident10 Ų1087.6 Ų87.66%0.06145%0.454CS..Hα-helixtrans-66.8-38.9176.8-35.10000112.3E487 N488 K582 K584 N590E487-T586 HydrophobicContact CB-CG2 4.19Å; E487-T586 HydrophobicContact CG-CG2 4.45Å; E487-T586 WeakPolarHBondContact OE2-CB 3.17Å; E487-T586 PolarHBondContact OE2-OG1 3.46Å; N488-T586 WeakPolarHBondContact OD1-CG2 3.35Å; K582-T586 PolarHBondContact O-N 3.37Å; K582-T586 PolarHBondContact O-OG1 2.87Å; K584-T586 VanDerWaalsContact C-N 3.29Å; K584-T586 PolarHBondContact O-N 2.87Å; T586-N590 WeakPolarHBondContact O-CB 3.38Å; T586-N590 PolarHBondContact O-N 3.3Å; T586-N590 VanDerWaalsContact O-N 3.13Å; T586-N590 PolarHBondContact O-ND2 3.48Å; T586-N590 VanDerWaalsContact O-ND2 3.12Å
587S60.5Low69.8Low62 Ų6288.8 Ų88.843%0.43446%0.462SS..Hα-helixtrans-67.9-34178.463.70000113.3T583 K584 I591T583-S587 PolarHBondContact O-N 2.97Å; K584-S587 PolarHBondContact O-N 3.23Å; K584-S587 VanDerWaalsContact O-N 3.13Å; K584-S587 PolarHBondContact O-OG 3.46Å; S587-I591 VanDerWaalsContact O-CD1 3.27Å; S587-I591 WeakPolarHBondContact O-CD1 3.39Å; S587-I591 VanDerWaalsContact O-CG1 3.24Å; S587-I591 WeakPolarHBondContact O-CG1 3.47Å; S587-I591 PolarHBondContact O-N 3.14Å
588E58.7Low68.3Low143 Ų14389.1 Ų89.167%0.66847%0.466SS*.Hα-helixtrans-74.3-39.2175.2-69.8179.3177.500112.4K584 S585 N590 I591 G592K584-E588 PolarHBondContact O-N 3.04Å; K584-E588 VanDerWaalsContact O-N 3.09Å; S585-E588 PolarHBondContact O-N 3.38Å; E588-N590 VanDerWaalsContact C-N 3.33Å; E588-N590 PolarHBondContact O-N 3.02Å; E588-I591 PolarHBondContact O-N 3.17Å; E588-G592 PolarHBondContact O-N 2.95Å
589E54.9Low66.6Low122 Ų12293.6 Ų93.657%0.5749%0.49SS*.Hα-helixtrans-62.1-37.7173.8-78.4-176.5169.300112.4S585 I591 G592S585-E589 PolarHBondContact O-N 3.42Å; S585-E589 VanDerWaalsContact O-N 3.09Å; E589-I591 VanDerWaalsContact C-N 3.27Å; E589-I591 PolarHBondContact O-N 3.24Å; E589-G592 PolarHBondContact O-N 2.83Å
590N52.3Low64.9Low95 Ų9599.3 Ų99.351%0.50852%0.519SS..Hα-helixtrans-71.8-17.2176.9-77.2-37.4000114T586 E588T586-N590 WeakPolarHBondContact O-CB 3.38Å; T586-N590 PolarHBondContact O-N 3.3Å; T586-N590 VanDerWaalsContact O-N 3.13Å; T586-N590 PolarHBondContact O-ND2 3.48Å; T586-N590 VanDerWaalsContact O-ND2 3.12Å; E588-N590 VanDerWaalsContact C-N 3.33Å; E588-N590 PolarHBondContact O-N 3.02Å
591I53.1Low62.9Low128 Ų12898.9 Ų98.966%0.65652%0.521SS*.Hα-helixtrans-85.6-24.9174.9-66.4163.5000111.1S587 E588 E589 I593S587-I591 VanDerWaalsContact O-CD1 3.27Å; S587-I591 WeakPolarHBondContact O-CD1 3.39Å; S587-I591 VanDerWaalsContact O-CG1 3.24Å; S587-I591 WeakPolarHBondContact O-CG1 3.47Å; S587-I591 PolarHBondContact O-N 3.14Å; E588-I591 PolarHBondContact O-N 3.17Å; E589-I591 VanDerWaalsContact C-N 3.27Å; E589-I591 PolarHBondContact O-N 3.24Å; I591-I593 PolarHBondContact O-N 3.02Å
592G49.4Very low60.7Low68 Ų6899.6 Ų99.670%0.70153%0.526SS*.THydrogen-bonded Turntrans-80.3-4.8179.600000116.4E588 E589E588-G592 PolarHBondContact O-N 2.95Å; E589-G592 PolarHBondContact O-N 2.83Å
593I46.4Very low58.5Low150 Ų150103.8 Ų103.877%0.76955%0.552SS**THydrogen-bonded Turntrans-110.524.5180-53.7170.1000111.6I591I591-I593 PolarHBondContact O-N 3.02Å
594K38Very low56.2Low258 Ų258108.5 Ų108.5100%1.12257%0.573SS**  trans-100.30171.2-87.9-172.7177.61760113.5

Retrieved 594 of 594 residues in 3375.8 ms (Link to these results)