A0A096M6F6_POEFO Loading...

DUF4371 domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M6F6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 411 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
1V37.3Very low56Low185 Ų185125.8 Ų125.8100%1.12170%0.7SS**  096.50-177.30000107.8K3V1-K3 PolarHBondContact O-N 3.46Å; V1-K3 VanDerWaalsContact O-N 3.08Å
2Q34.9Very low56.9Low199 Ų199120.3 Ų120.393%0.9367%0.672SS**  trans-66.1107.8169.5-86.1177.1-22.300106.7S4Q2-S4 PolarHBondContact O-N 3.15Å; Q2-S4 VanDerWaalsContact O-N 3.13Å
3K41.4Very low57.5Low188 Ų188113.3 Ų113.382%0.81764%0.639SS**  trans-59.1117.3171.3-81.8179175.4176.30107.1V1 I5V1-K3 PolarHBondContact O-N 3.46Å; V1-K3 VanDerWaalsContact O-N 3.08Å; K3-I5 PolarHBondContact O-N 3.47Å
4S52.1Low58.3Low120 Ų120113.2 Ų113.284%0.83963%0.63SS**  trans-65.697.8169.756.30000107.9Q2 S6Q2-S4 PolarHBondContact O-N 3.15Å; Q2-S4 VanDerWaalsContact O-N 3.13Å; S4-S6 PolarHBondContact O-N 3.17Å
5I57.8Low59Low125 Ų125112.9 Ų112.964%0.64162%0.616SS**PPolyproline II helixtrans-63.6121.1172.6-60.6172000106.9K3 L7K3-I5 PolarHBondContact O-N 3.47Å; I5-L7 PolarHBondContact O-N 3.23Å
6S54.8Low59.5Low113 Ų113107.8 Ų107.879%0.7959%0.587SS**PPolyproline II helixtrans-68.1120.6174.270.60000108.7S4S4-S6 PolarHBondContact O-N 3.17Å
7L64.6Low59.9Low74 Ų74106 Ų10639%0.38758%0.577SS.*PPolyproline II helixtrans-76.4143.2174.1-62.3171.3000109.6I5 T11 V12I5-L7 PolarHBondContact O-N 3.23Å; L7-T11 HydrophobicContact CB-CG2 4.49Å; L7-T11 HydrophobicContact CD2-CG2 3.99Å; L7-V12 HydrophobicContact CB-CG2 3.63Å; L7-V12 HydrophobicContact CD1-CG2 4.24Å
8S72.9Confident60.3Low62 Ų62102.8 Ų102.843%0.43456%0.557SS.*PPolyproline II helixtrans-64.4154.1170.273.60000110.6D10 T11 V12S8-D10 PolarHBondContact O-N 3.44Å; S8-T11 PolarHBondContact O-N 3.13Å; S8-T11 WeakPolarHBondContact OG-CB 3.41Å; S8-T11 PolarHBondContact OG-N 3.2Å; S8-T11 PolarHBondContact OG-OG1 3.15Å; S8-V12 WeakPolarHBondContact O-CG2 3.48Å; S8-V12 PolarHBondContact O-N 2.86Å
9N62.9Low60.5Low136 Ų136101.3 Ų101.373%0.72755%0.547SS*.Hα-helixtrans-54.3-38.2176.9-71.5-23.2000112.1V12 A13N9-V12 PolarHBondContact O-N 2.94Å; N9-A13 WeakPolarHBondContact O-CB 3.47Å; N9-A13 PolarHBondContact O-N 3.41Å
10D68.3Low60.4Low129 Ų12996.3 Ų96.369%0.6952%0.521SS*.Hα-helixtrans-69.8-38.5179.1-55.6-34.8000111.9S8 V12 A13 H14S8-D10 PolarHBondContact O-N 3.44Å; D10-V12 VanDerWaalsContact C-N 3.34Å; D10-A13 PolarHBondContact O-N 3.39Å; D10-H14 WeakPolarHBondContact O-CB 3.47Å; D10-H14 PolarHBondContact O-N 2.93Å
11T68.6Low60.7Low53 Ų5396.9 Ų96.933%0.32552%0.523SS..Hα-helixtrans-65.9-39.5175.2-54.20000111.1L7 S8 R15L7-T11 HydrophobicContact CB-CG2 4.49Å; L7-T11 HydrophobicContact CD2-CG2 3.99Å; S8-T11 PolarHBondContact O-N 3.13Å; S8-T11 WeakPolarHBondContact OG-CB 3.41Å; S8-T11 PolarHBondContact OG-N 3.2Å; S8-T11 PolarHBondContact OG-OG1 3.15Å; T11-R15 WeakPolarHBondContact O-CB 3.18Å; T11-R15 VanDerWaalsContact O-CG 3.31Å; T11-R15 WeakPolarHBondContact O-CG 3.45Å; T11-R15 PolarHBondContact O-N 3.09Å
12V66.9Low62.2Low60 Ų6088.7 Ų88.736%0.36447%0.473SS..Hα-helixtrans-64.5-45.9175174.30000110.4L7 S8 N9 D10 R15 I16L7-V12 HydrophobicContact CB-CG2 3.63Å; L7-V12 HydrophobicContact CD1-CG2 4.24Å; S8-V12 WeakPolarHBondContact O-CG2 3.48Å; S8-V12 PolarHBondContact O-N 2.86Å; N9-V12 PolarHBondContact O-N 2.94Å; D10-V12 VanDerWaalsContact C-N 3.34Å; V12-R15 PolarHBondContact O-N 2.96Å; V12-I16 HydrophobicContact CG1-CD1 3.72Å; V12-I16 HydrophobicContact CG1-CG1 4.4Å; V12-I16 WeakPolarHBondContact O-CB 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.37Å; V12-I16 PolarHBondContact O-N 3.5Å
13A64.6Low64.3Low29 Ų2980.7 Ų80.724%0.2444%0.435CS..Hα-helixtrans-61.6-43.717700000112.2N9 D10 I16 N17N9-A13 WeakPolarHBondContact O-CB 3.47Å; N9-A13 PolarHBondContact O-N 3.41Å; D10-A13 PolarHBondContact O-N 3.39Å; A13-I16 WeakPolarHBondContact O-CB 3.17Å; A13-I16 PolarHBondContact O-N 2.93Å; A13-N17 VanDerWaalsContact O-CG 3.31Å; A13-N17 PolarHBondContact O-N 3.49Å; A13-N17 PolarHBondContact O-ND2 2.85Å
14H69.4Low66.3Low112 Ų11276.1 Ų76.152%0.51942%0.417SS..Hα-helixtrans-61.1-49176.4-168.3-81.6000111.7D10 I16 N17 E18D10-H14 WeakPolarHBondContact O-CB 3.47Å; D10-H14 PolarHBondContact O-N 2.93Å; H14-I16 VanDerWaalsContact C-N 3.32Å; H14-I16 PolarHBondContact O-N 3.04Å; H14-N17 WeakPolarHBondContact O-CB 3.37Å; H14-N17 PolarHBondContact O-N 3.42Å; H14-N17 VanDerWaalsContact O-N 3.07Å; H14-E18 IonicContact CE1-OE1 3.98Å; H14-E18 PolarHBondContact CE1-OE1 2.93Å; H14-E18 IonicContact CE1-OE2 3.98Å; H14-E18 PolarHBondContact CE1-OE2 3.47Å; H14-E18 IonicContact ND1-OE1 3.21Å; H14-E18 IonicContact ND1-OE2 3.34Å; H14-E18 PolarHBondContact ND1-OE2 2.99Å; H14-E18 PolarHBondContact O-N 3.29Å
15R69.1Low67.8Low109 Ų10974.6 Ų74.641%0.41140%0.397SS..Hα-helixtrans-63.2-37.6177.6-73-179.8-179.7-165.41.2112.2T11 V12 N17 E18 M19T11-R15 WeakPolarHBondContact O-CB 3.18Å; T11-R15 VanDerWaalsContact O-CG 3.31Å; T11-R15 WeakPolarHBondContact O-CG 3.45Å; T11-R15 PolarHBondContact O-N 3.09Å; V12-R15 PolarHBondContact O-N 2.96Å; R15-N17 VanDerWaalsContact C-N 3.3Å; R15-E18 PolarHBondContact O-N 2.98Å; R15-M19 HydrophobicContact CB-CE 4.27Å; R15-M19 VanDerWaalsContact O-CB 3.25Å; R15-M19 WeakPolarHBondContact O-CB 3.34Å; R15-M19 WeakPolarHBondContact O-CE 3.24Å; R15-M19 WeakPolarHBondContact O-CG 3.32Å; R15-M19 PolarHBondContact O-N 3.03Å
16I65.6Low69.2Low31 Ų3169 Ų6916%0.15937%0.368CS..Hα-helixtrans-60.3-42.5172.8-77.8170.5000110.5V12 A13 H14 M19 G20 A386 L389V12-I16 HydrophobicContact CG1-CD1 3.72Å; V12-I16 HydrophobicContact CG1-CG1 4.4Å; V12-I16 WeakPolarHBondContact O-CB 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.37Å; V12-I16 PolarHBondContact O-N 3.5Å; A13-I16 WeakPolarHBondContact O-CB 3.17Å; A13-I16 PolarHBondContact O-N 2.93Å; H14-I16 VanDerWaalsContact C-N 3.32Å; H14-I16 PolarHBondContact O-N 3.04Å; I16-M19 HydrophobicContact CG1-CE 4.5Å; I16-G20 WeakPolarHBondContact O-CA 3.31Å; I16-G20 PolarHBondContact O-N 3.3Å; I16-A386 HydrophobicContact CG2-CB 3.73Å; I16-A386 VanDerWaalsContact CG2-N 3.35Å; I16-L389 HydrophobicContact CB-CD1 4.35Å; I16-L389 HydrophobicContact CG2-CD1 4.06Å; I16-L389 VanDerWaalsContact O-CD1 3.27Å; I16-L389 WeakPolarHBondContact O-CD1 3.19Å
17N66.4Low70.9Confident77 Ų7763.6 Ų63.641%0.41233%0.33SS..Hα-helixtrans-68.4-41.4177.3-70-20.8000111.9A13 H14 R15 G20 N21 G385A13-N17 VanDerWaalsContact O-CG 3.31Å; A13-N17 PolarHBondContact O-N 3.49Å; A13-N17 PolarHBondContact O-ND2 2.85Å; H14-N17 WeakPolarHBondContact O-CB 3.37Å; H14-N17 PolarHBondContact O-N 3.42Å; H14-N17 VanDerWaalsContact O-N 3.07Å; R15-N17 VanDerWaalsContact C-N 3.3Å; N17-G20 CarbonylContact O-C 3.42Å; N17-G20 PolarHBondContact O-N 2.83Å; N17-N21 PolarHBondContact O-N 2.99Å; N17-N21 VanDerWaalsContact O-N 3.08Å; N17-G385 PolarHBondContact OD1-N 3.18Å
18E68.3Low72.1Confident48 Ų4861.9 Ų61.922%0.22433%0.326CS..Hα-helixtrans-67.3-46.2177-74.4-178.8122.300112.9H14 R15 G20 N21 L401 H405H14-E18 IonicContact CE1-OE1 3.98Å; H14-E18 PolarHBondContact CE1-OE1 2.93Å; H14-E18 IonicContact CE1-OE2 3.98Å; H14-E18 PolarHBondContact CE1-OE2 3.47Å; H14-E18 IonicContact ND1-OE1 3.21Å; H14-E18 IonicContact ND1-OE2 3.34Å; H14-E18 PolarHBondContact ND1-OE2 2.99Å; H14-E18 PolarHBondContact O-N 3.29Å; R15-E18 PolarHBondContact O-N 2.98Å; E18-G20 PolarHBondContact O-N 3.45Å; E18-N21 VanDerWaalsContact O-CB 3.28Å; E18-N21 WeakPolarHBondContact O-CB 3.28Å; E18-N21 PolarHBondContact O-N 3.35Å; E18-L401 HydrophobicContact CB-CD2 4.29Å; E18-H405 IonicContact OE1-CE1 2.79Å; E18-H405 PolarHBondContact OE1-CE1 3.23Å; E18-H405 VanDerWaalsContact OE1-CE1 3.29Å; E18-H405 IonicContact OE1-NE2 3.12Å; E18-H405 PolarHBondContact OE1-NE2 3.37Å; E18-H405 IonicContact OE2-CE1 3.42Å; E18-H405 PolarHBondContact OE2-CE1 2.99Å; E18-H405 IonicContact OE2-NE2 2.77Å; E18-H405 PolarHBondContact OE2-NE2 2.93Å
19M64.1Low72.9Confident75 Ų7560.6 Ų60.637%0.36931%0.314SS..Hα-helixtrans-65.4-29.4174.5-69.6-175.1-63.900111.7R15 I16 N21 K22 L389 L401R15-M19 HydrophobicContact CB-CE 4.27Å; R15-M19 VanDerWaalsContact O-CB 3.25Å; R15-M19 WeakPolarHBondContact O-CB 3.34Å; R15-M19 WeakPolarHBondContact O-CE 3.24Å; R15-M19 WeakPolarHBondContact O-CG 3.32Å; R15-M19 PolarHBondContact O-N 3.03Å; I16-M19 HydrophobicContact CG1-CE 4.5Å; M19-N21 VanDerWaalsContact C-N 3.28Å; M19-K22 WeakPolarHBondContact O-CE 3.3Å; M19-L389 HydrophobicContact CB-CD1 4.04Å; M19-L389 HydrophobicContact CB-CD2 4.09Å; M19-L389 HydrophobicContact CE-CD1 4.47Å; M19-L389 WeakPolarHBondContact O-CD2 3.3Å; M19-L401 HydrophobicContact CG-CD1 4.16Å
20G58.9Low74.2Confident1 Ų154.1 Ų54.11%0.0128%0.28CS..THydrogen-bonded Turntrans-75.6-10.7173.200000114.1I16 N17 E18 K22 R388I16-G20 WeakPolarHBondContact O-CA 3.31Å; I16-G20 PolarHBondContact O-N 3.3Å; N17-G20 CarbonylContact O-C 3.42Å; N17-G20 PolarHBondContact O-N 2.83Å; E18-G20 PolarHBondContact O-N 3.45Å; G20-K22 PolarHBondContact O-N 2.94Å; G20-R388 WeakPolarHBondContact O-CD 3.17Å
21N64.8Low75.4Confident109 Ų10951 Ų5158%0.58326%0.258SS*.  trans-76.954177.7-162.92000112.1N17 E18 M19 E23N17-N21 PolarHBondContact O-N 2.99Å; N17-N21 VanDerWaalsContact O-N 3.08Å; E18-N21 VanDerWaalsContact O-CB 3.28Å; E18-N21 WeakPolarHBondContact O-CB 3.28Å; E18-N21 PolarHBondContact O-N 3.35Å; M19-N21 VanDerWaalsContact C-N 3.28Å; N21-E23 VanDerWaalsContact C-N 3.34Å
22K70.6Confident76.3Confident12 Ų1255 Ų555%0.05228%0.277CS..  trans-92.2-4168.9-60173.4-171168.10112M19 G20 E24 Q25 L26 T392 L394 P396M19-K22 WeakPolarHBondContact O-CE 3.3Å; G20-K22 PolarHBondContact O-N 2.94Å; K22-E24 VanDerWaalsContact C-N 3.26Å; K22-E24 PolarHBondContact O-N 3.25Å; K22-Q25 WeakPolarHBondContact O-CB 3.22Å; K22-Q25 PolarHBondContact O-N 2.81Å; K22-Q25 VanDerWaalsContact O-N 3.1Å; K22-L26 PolarHBondContact O-N 3.41Å; K22-T392 HydrophobicContact CD-CG2 3.78Å; K22-L394 HydrophobicContact CB-CD1 4.48Å; K22-L394 HydrophobicContact CD-CB 3.96Å; K22-L394 WeakPolarHBondContact CE-O 3.41Å; K22-L394 PolarHBondContact NZ-O 2.92Å; K22-P396 VanDerWaalsContact CE-CA 3.42Å; K22-P396 VanDerWaalsContact CE-N 3.32Å
23E78.5Confident77.1Confident31 Ų3153.4 Ų53.415%0.14527%0.269CS..Hα-helixtrans-51.6-45.7178.1-173.6163-149.800112.1N21 Q25 L26 C27 Y91 K95 R388N21-E23 VanDerWaalsContact C-N 3.34Å; E23-Q25 VanDerWaalsContact C-N 3.28Å; E23-Q25 PolarHBondContact O-N 3.09Å; E23-L26 PolarHBondContact O-N 3.03Å; E23-C27 WeakPolarHBondContact O-CB 3.05Å; E23-C27 PolarHBondContact O-N 3.18Å; E23-C27 PolarHBondContact O-SG 3.08Å; E23-Y91 WeakPolarHBondContact CG-OH 3.34Å; E23-Y91 WeakPolarHBondContact OE1-CE2 3.5Å; E23-Y91 VanDerWaalsContact OE1-CZ 3.25Å; E23-Y91 PolarHBondContact OE1-OH 3.03Å; E23-K95 WeakPolarHBondContact OE1-CE 3.4Å; E23-R388 VanDerWaalsContact CD-CZ 3.5Å; E23-R388 IonicContact OE1-CZ 3.81Å; E23-R388 IonicContact OE1-NH1 3.36Å; E23-R388 IonicContact OE1-NH2 3.29Å; E23-R388 PolarHBondContact OE1-NH2 3.31Å; E23-R388 IonicContact OE2-CZ 3.73Å; E23-R388 IonicContact OE2-NH1 3.49Å; E23-R388 PolarHBondContact OE2-NH1 2.85Å; E23-R388 IonicContact OE2-NH2 3.89Å; E23-R388 PolarHBondContact OE2-NH2 3.49Å
24E82.8Confident78Confident92 Ų9254.4 Ų54.443%0.4327%0.274SS..Hα-helixtrans-66.3-31.8-177.7-173.453.1-149.500112.6K22 A28 R31K22-E24 VanDerWaalsContact C-N 3.26Å; K22-E24 PolarHBondContact O-N 3.25Å; E24-A28 WeakPolarHBondContact O-CB 3.06Å; E24-A28 PolarHBondContact O-N 3.45Å; E24-R31 IonicContact OE1-CZ 3.37Å; E24-R31 IonicContact OE1-NH1 2.7Å; E24-R31 PolarHBondContact OE1-NH1 3.36Å; E24-R31 IonicContact OE1-NH2 3.12Å; E24-R31 PolarHBondContact OE1-NH2 3.24Å; E24-R31 VanDerWaalsContact OE1-NH2 3.12Å; E24-R31 IonicContact OE2-NH2 3.17Å; E24-R31 PolarHBondContact OE2-NH2 3.04Å
25Q84.1Confident78.8Confident89 Ų8949.1 Ų49.142%0.41625%0.249SC..Hα-helixtrans-65.1-46.6174.2-65.5179.4-13.600110.7K22 E23 A28 I29K22-Q25 WeakPolarHBondContact O-CB 3.22Å; K22-Q25 PolarHBondContact O-N 2.81Å; K22-Q25 VanDerWaalsContact O-N 3.1Å; E23-Q25 VanDerWaalsContact C-N 3.28Å; E23-Q25 PolarHBondContact O-N 3.09Å; Q25-A28 PolarHBondContact O-N 2.75Å; Q25-I29 WeakPolarHBondContact O-CG1 3.07Å; Q25-I29 PolarHBondContact O-N 3.04Å
26L87.5Confident79.6Confident7 Ų744 Ų444%0.03723%0.23CC..Hα-helixtrans-63.6-49.9176.6-18059.8000111K22 E23 A28 I29 L30 V55 F57 E68 L70 L394K22-L26 PolarHBondContact O-N 3.41Å; E23-L26 PolarHBondContact O-N 3.03Å; L26-A28 VanDerWaalsContact C-N 3.29Å; L26-A28 PolarHBondContact O-N 2.74Å; L26-I29 WeakPolarHBondContact O-CB 3.24Å; L26-I29 PolarHBondContact O-N 3.42Å; L26-L30 HydrophobicContact CD1-CD1 4.26Å; L26-L30 HydrophobicContact CD1-CD2 4.41Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 3.99Å; L26-L30 HydrophobicContact CG-CG 4.32Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.49Å; L26-V55 HydrophobicContact CD1-CG2 3.99Å; L26-V55 HydrophobicContact CD2-CG2 4.02Å; L26-V55 HydrophobicContact CG-CG2 4.39Å; L26-F57 HydrophobicContact CD1-CD1 4.28Å; L26-F57 HydrophobicContact CD1-CE1 3.41Å; L26-F57 VanDerWaalsContact CD1-CE1 3.41Å; L26-F57 HydrophobicContact CD1-CZ 3.68Å; L26-E68 HydrophobicContact CD1-CB 3.94Å; L26-E68 HydrophobicContact CD1-CG 4.22Å; L26-E68 HydrophobicContact CD2-CB 3.79Å; L26-L70 HydrophobicContact CD2-CD1 3.94Å; L26-L70 HydrophobicContact CG-CD1 4.41Å; L26-L394 HydrophobicContact CB-CD1 4.46Å
27C90.3Very high80.7Confident0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-56.2-43.2177.8-68.20000111.6E23 I29 L30 R31 K95 I97E23-C27 WeakPolarHBondContact O-CB 3.05Å; E23-C27 PolarHBondContact O-N 3.18Å; E23-C27 PolarHBondContact O-SG 3.08Å; C27-I29 VanDerWaalsContact C-N 3.26Å; C27-I29 PolarHBondContact O-N 3.26Å; C27-L30 PolarHBondContact O-N 2.6Å; C27-R31 VanDerWaalsContact O-CG 3.29Å; C27-R31 WeakPolarHBondContact O-CG 3.1Å; C27-R31 PolarHBondContact O-N 2.96Å; C27-K95 HydrophobicContact CB-CB 4.43Å; C27-I97 HydrophobicContact CB-CD1 4.14Å
28A89.6Confident81.7Confident37 Ų3739.2 Ų39.231%0.30620%0.204SC..Hα-helixtrans-59.6-35.9176.500000112.9E24 Q25 L26 N32E24-A28 WeakPolarHBondContact O-CB 3.06Å; E24-A28 PolarHBondContact O-N 3.45Å; Q25-A28 PolarHBondContact O-N 2.75Å; L26-A28 VanDerWaalsContact C-N 3.29Å; L26-A28 PolarHBondContact O-N 2.74Å; A28-N32 PolarHBondContact O-ND2 3.03Å
29I89.1Confident82.7Confident36 Ų3637 Ų3719%0.18519%0.194CC..Hα-helixtrans-67.9-49.8173.7-63.1165.1000110.2Q25 L26 C27 R31 N32 S33 F57 P60Q25-I29 WeakPolarHBondContact O-CG1 3.07Å; Q25-I29 PolarHBondContact O-N 3.04Å; L26-I29 WeakPolarHBondContact O-CB 3.24Å; L26-I29 PolarHBondContact O-N 3.42Å; C27-I29 VanDerWaalsContact C-N 3.26Å; C27-I29 PolarHBondContact O-N 3.26Å; I29-R31 VanDerWaalsContact C-N 3.29Å; I29-R31 PolarHBondContact O-N 2.86Å; I29-N32 CarbonylContact O-C 3.45Å; I29-N32 PolarHBondContact O-N 2.99Å; I29-S33 VanDerWaalsContact O-CB 3.26Å; I29-S33 WeakPolarHBondContact O-CB 3.37Å; I29-S33 PolarHBondContact O-N 2.81Å; I29-S33 PolarHBondContact O-OG 3.41Å; I29-F57 HydrophobicContact CD1-CE2 4.09Å; I29-F57 HydrophobicContact CD1-CZ 4.39Å; I29-F57 HydrophobicContact CG2-CD2 3.65Å; I29-F57 HydrophobicContact CG2-CE2 3.66Å; I29-P60 HydrophobicContact CD1-CG 4.38Å; I29-P60 HydrophobicContact CG1-CG 4.17Å; I29-P60 HydrophobicContact CG2-CG 4.11Å
30L90.8Very high83.6Confident0 Ų034.3 Ų34.30%018%0.181CC..Hα-helixtrans-67-26-175.8-59.6177.6000113.7L26 C27 N32 F35 V55 F57 L70 I97 N101L26-L30 HydrophobicContact CD1-CD1 4.26Å; L26-L30 HydrophobicContact CD1-CD2 4.41Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 3.99Å; L26-L30 HydrophobicContact CG-CG 4.32Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.49Å; C27-L30 PolarHBondContact O-N 2.6Å; L30-N32 PolarHBondContact O-N 3.45Å; L30-F35 HydrophobicContact CB-CD1 4.09Å; L30-F35 HydrophobicContact CB-CE1 4.05Å; L30-F35 HydrophobicContact CD2-CB 3.74Å; L30-F35 HydrophobicContact CD2-CD1 3.72Å; L30-F35 HydrophobicContact CD2-CD2 4.32Å; L30-F35 HydrophobicContact CD2-CE1 4.37Å; L30-F35 HydrophobicContact CD2-CG 3.69Å; L30-F35 HydrophobicContact CG-CD1 4.39Å; L30-V55 HydrophobicContact CD1-CB 4.45Å; L30-V55 HydrophobicContact CD1-CG1 4.05Å; L30-V55 HydrophobicContact CD1-CG2 4.08Å; L30-V55 HydrophobicContact CD2-CB 4.25Å; L30-V55 HydrophobicContact CD2-CG1 4.47Å; L30-V55 HydrophobicContact CD2-CG2 4.15Å; L30-F57 HydrophobicContact CD2-CB 4.38Å; L30-F57 HydrophobicContact CD2-CD1 4.05Å; L30-F57 HydrophobicContact CD2-CG 4.25Å; L30-L70 HydrophobicContact CD1-CD1 3.47Å; L30-L70 VanDerWaalsContact CD1-CD1 3.47Å; L30-I97 HydrophobicContact CB-CD1 4.15Å; L30-I97 HydrophobicContact CB-CG1 4.41Å; L30-I97 HydrophobicContact CB-CG2 4.1Å; L30-I97 HydrophobicContact CD1-CD1 4.15Å; L30-N101 PolarHBondContact O-ND2 2.9Å
31R93.6Very high84.8Confident62 Ų6236 Ų3623%0.23419%0.189CC..Hα-helixtrans-61.5-35.5171.6-74.5-176.4-158.8116.53.5112.3E24 C27 I29 K95 S96 I97 N101E24-R31 IonicContact OE1-CZ 3.37Å; E24-R31 IonicContact OE1-NH1 2.7Å; E24-R31 PolarHBondContact OE1-NH1 3.36Å; E24-R31 IonicContact OE1-NH2 3.12Å; E24-R31 PolarHBondContact OE1-NH2 3.24Å; E24-R31 VanDerWaalsContact OE1-NH2 3.12Å; E24-R31 IonicContact OE2-NH2 3.17Å; E24-R31 PolarHBondContact OE2-NH2 3.04Å; C27-R31 VanDerWaalsContact O-CG 3.29Å; C27-R31 WeakPolarHBondContact O-CG 3.1Å; C27-R31 PolarHBondContact O-N 2.96Å; I29-R31 VanDerWaalsContact C-N 3.29Å; I29-R31 PolarHBondContact O-N 2.86Å; R31-K95 PolarHBondContact NE-O 3.47Å; R31-K95 PolarHBondContact NH2-O 2.85Å; R31-S96 WeakPolarHBondContact CG-O 3.13Å; R31-I97 HydrophobicContact CG-CG1 3.99Å; R31-N101 PolarHBondContact O-ND2 3.17Å
32N87.1Confident85.4Confident137 Ų13731.2 Ų31.273%0.73316%0.163SC*.Hα-helixtrans-109-4-171.3-61.2-62.2000113.4A28 I29 L30A28-N32 PolarHBondContact O-ND2 3.03Å; I29-N32 CarbonylContact O-C 3.45Å; I29-N32 PolarHBondContact O-N 2.99Å; L30-N32 PolarHBondContact O-N 3.45Å
33S83.8Confident85.6Confident28 Ų2835.6 Ų35.620%0.19619%0.191CC..SBendtrans-133.8139.9-172.6-49.60000111I29I29-S33 VanDerWaalsContact O-CB 3.26Å; I29-S33 WeakPolarHBondContact O-CB 3.37Å; I29-S33 PolarHBondContact O-N 2.81Å; I29-S33 PolarHBondContact O-OG 3.41Å
34P84.4Confident84.8Confident50 Ų5034.5 Ų34.533%0.32519%0.187SC..  trans-67.2148171.327-32.3000111.5N101 L103P34-N101 CarbonylContact C-O 3.33Å; P34-N101 VanDerWaalsContact CA-O 3.3Å; P34-N101 WeakPolarHBondContact CA-O 3.16Å; P34-L103 HydrophobicContact CB-CD1 3.48Å; P34-L103 VanDerWaalsContact CB-CD1 3.48Å; P34-L103 HydrophobicContact CB-CD2 4.24Å; P34-L103 HydrophobicContact CB-CG 3.64Å; P34-L103 HydrophobicContact CG-CD1 4.17Å
35F85.2Confident83.7Confident0 Ų036.4 Ų36.40%021%0.207CC..EExtended strand (participates in β ladder)trans-146.8163.2-178.963.7-87.3000112.3L30 L37 V55 R56 F57 L92 I97 N101 I102 L103L30-F35 HydrophobicContact CB-CD1 4.09Å; L30-F35 HydrophobicContact CB-CE1 4.05Å; L30-F35 HydrophobicContact CD2-CB 3.74Å; L30-F35 HydrophobicContact CD2-CD1 3.72Å; L30-F35 HydrophobicContact CD2-CD2 4.32Å; L30-F35 HydrophobicContact CD2-CE1 4.37Å; L30-F35 HydrophobicContact CD2-CG 3.69Å; L30-F35 HydrophobicContact CG-CD1 4.39Å; F35-L37 HydrophobicContact CE2-CB 4.46Å; F35-V55 HydrophobicContact CD2-CB 4.18Å; F35-V55 HydrophobicContact CD2-CG1 3.59Å; F35-V55 HydrophobicContact CE2-CG1 3.85Å; F35-V55 HydrophobicContact CG-CG1 4.45Å; F35-R56 CarbonylContact C-O 3.56Å; F35-R56 WeakPolarHBondContact CA-O 3.12Å; F35-R56 WeakPolarHBondContact CB-O 3.43Å; F35-F57 HydrophobicContact CB-CB 3.96Å; F35-L92 HydrophobicContact CZ-CD2 4.32Å; F35-I97 HydrophobicContact CE1-CG2 3.77Å; F35-I97 HydrophobicContact CZ-CG2 3.98Å; F35-N101 HydrophobicContact CD1-CB 4.01Å; F35-N101 HydrophobicContact CE1-CB 3.77Å; F35-N101 PolarHBondContact N-O 3.32Å; F35-I102 HydrophobicContact CD2-CG1 4.46Å; F35-I102 HydrophobicContact CE1-CG1 4.31Å; F35-I102 HydrophobicContact CE2-CD1 4.41Å; F35-I102 HydrophobicContact CE2-CG1 3.64Å; F35-I102 HydrophobicContact CZ-CD1 4.37Å; F35-I102 HydrophobicContact CZ-CG1 3.55Å; F35-I102 WeakPolarHBondContact O-CA 3.12Å; F35-L103 PolarHBondContact O-N 3.02Å
36T86.1Confident82.7Confident3 Ų338.5 Ų38.52%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-99.3138.4165.4-69.30000109.7V55 R56 A104 L353T36-V55 VanDerWaalsContact O-CA 3.23Å; T36-V55 WeakPolarHBondContact O-CA 3.36Å; T36-R56 PolarHBondContact N-O 3.47Å; T36-R56 PolarHBondContact O-N 3.36Å; T36-A104 VanDerWaalsContact CA-O 3.32Å; T36-A104 WeakPolarHBondContact CA-O 2.69Å; T36-A104 HydrophobicContact CG2-CB 4.04Å; T36-A104 WeakPolarHBondContact CG2-O 3.23Å; T36-L353 WeakPolarHBondContact CB-O 3.25Å; T36-L353 VanDerWaalsContact CG2-O 3.28Å; T36-L353 WeakPolarHBondContact CG2-O 3.42Å; T36-L353 VanDerWaalsContact OG1-C 3.25Å; T36-L353 WeakPolarHBondContact OG1-CB 3.45Å; T36-L353 PolarHBondContact OG1-O 3.18Å; T36-L353 VanDerWaalsContact OG1-O 3.11Å
37L89.1Confident81.4Confident1 Ų138.9 Ų38.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-99.4129.6174-178.267.1000110.1F35 L39 A53 V55 L70 V88 I102 A104 C105 T106 F116F35-L37 HydrophobicContact CE2-CB 4.46Å; L37-L39 HydrophobicContact CD1-CD2 4.14Å; L37-L39 HydrophobicContact CD2-CD1 4.36Å; L37-L39 HydrophobicContact CD2-CD2 4.16Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD2 4.11Å; L37-L39 HydrophobicContact CG-CG 4.21Å; L37-A53 HydrophobicContact CD1-CB 4.17Å; L37-V55 HydrophobicContact CD1-CG1 4.38Å; L37-L70 HydrophobicContact CD1-CD2 4.31Å; L37-V88 HydrophobicContact CD2-CG1 3.84Å; L37-I102 HydrophobicContact CB-CG2 4.18Å; L37-I102 HydrophobicContact CD2-CD1 4.22Å; L37-A104 PolarHBondContact N-O 3.31Å; L37-C105 CarbonylContact O-C 3.33Å; L37-C105 WeakPolarHBondContact O-CA 3.39Å; L37-C105 PolarHBondContact O-SG 3.01Å; L37-C105 VanDerWaalsContact O-SG 3.41Å; L37-T106 PolarHBondContact O-N 3.47Å; L37-F116 HydrophobicContact CD2-CZ 4.14Å
38Q87.2Confident80.5Confident5 Ų544.3 Ų44.32%0.02325%0.252CS..EExtended strand (participates in β ladder)trans-113.3134166177.1-175.39.400109.4A53 Y54 T106 P356Q38-A53 CarbonylContact O-C 3.46Å; Q38-A53 WeakPolarHBondContact O-CA 3.39Å; Q38-Y54 HydrophobicContact CG-CD2 4.44Å; Q38-Y54 PolarHBondContact N-O 2.91Å; Q38-Y54 PolarHBondContact O-N 2.92Å; Q38-T106 WeakPolarHBondContact CA-O 3.35Å; Q38-T106 HydrophobicContact CG-CG2 4.38Å; Q38-P356 HydrophobicContact CB-CG 4.16Å; Q38-P356 HydrophobicContact CG-CG 4.02Å
39L88.4Confident80.2Confident2 Ų242.7 Ų42.71%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-116.5139.8174-60.2178.8000110.6L37 L51 M52 A53 I84 V88 T106 I107 M113 F116L37-L39 HydrophobicContact CD1-CD2 4.14Å; L37-L39 HydrophobicContact CD2-CD1 4.36Å; L37-L39 HydrophobicContact CD2-CD2 4.16Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD2 4.11Å; L37-L39 HydrophobicContact CG-CG 4.21Å; L39-L51 HydrophobicContact CB-CD1 4.34Å; L39-L51 HydrophobicContact CD2-CD1 4.41Å; L39-M52 WeakPolarHBondContact CA-O 3.43Å; L39-A53 HydrophobicContact CD2-CB 3.68Å; L39-I84 HydrophobicContact CD1-CG2 4.02Å; L39-V88 HydrophobicContact CD1-CG2 3.92Å; L39-V88 HydrophobicContact CD2-CG2 3.94Å; L39-T106 PolarHBondContact N-O 2.89Å; L39-I107 HydrophobicContact CB-CG2 4.39Å; L39-M113 HydrophobicContact CB-CE 4.31Å; L39-M113 HydrophobicContact CB-SD 4.35Å; L39-F116 HydrophobicContact CD1-CD1 3.78Å; L39-F116 HydrophobicContact CD1-CD2 4.33Å; L39-F116 HydrophobicContact CD1-CE1 3.39Å; L39-F116 HydrophobicContact CD1-CE2 3.98Å; L39-F116 HydrophobicContact CD1-CG 4.25Å; L39-F116 HydrophobicContact CD1-CZ 3.5Å; L39-F116 VanDerWaalsContact CD1-CZ 3.5Å
40D84.2Confident80Confident18 Ų1841 Ų4110%0.09623%0.23CC..EExtended strand (participates in β ladder)trans-137.4142170.1-153.9-11.7000109.5M52 F365D40-M52 HydrophobicContact CB-CE 4.49Å; D40-M52 PolarHBondContact N-O 3.44Å; D40-M52 PolarHBondContact O-N 3.5Å; D40-F365 WeakPolarHBondContact OD2-CE2 3.4Å; D40-F365 VanDerWaalsContact OD2-CZ 3.3Å; D40-F365 WeakPolarHBondContact OD2-CZ 3.04Å
41E84Confident79.8Confident37 Ų3741 Ų4117%0.17323%0.23CC..EExtended strand (participates in β ladder)trans-112.5132.4178.1-171.7-167124.700109.1A49 T79 M113E41-A49 HydrophobicContact CG-CB 4.44Å; E41-T79 VanDerWaalsContact OE1-CG2 3.29Å; E41-T79 WeakPolarHBondContact OE1-CG2 3.46Å; E41-T79 WeakPolarHBondContact OE2-CB 3.39Å; E41-M113 HydrophobicContact CB-CE 3.79Å
42M77.4Confident79.5Confident8 Ų838 Ų384%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-125.9134.7171.671.6-179.9-68.800111.8T44 L50 M52 F365 V368M42-T44 HydrophobicContact CE-CG2 3.54Å; M42-L50 HydrophobicContact CG-CB 3.75Å; M42-L50 HydrophobicContact CG-CD2 4.14Å; M42-L50 HydrophobicContact CG-CG 4.38Å; M42-L50 PolarHBondContact N-O 3.08Å; M42-L50 PolarHBondContact O-N 3.46Å; M42-L50 HydrophobicContact SD-CD2 3.98Å; M42-M52 HydrophobicContact CB-CE 4.14Å; M42-M52 HydrophobicContact CG-CE 3.81Å; M42-M52 HydrophobicContact SD-CE 3.49Å; M42-M52 WeakPolarHBondContact SD-CE 3.26Å; M42-M52 HydrophobicContact SD-SD 3.87Å; M42-F365 HydrophobicContact CB-CD1 3.9Å; M42-F365 HydrophobicContact CB-CE1 3.37Å; M42-F365 HydrophobicContact CB-CZ 4.01Å; M42-F365 HydrophobicContact CE-CD1 3.97Å; M42-F365 HydrophobicContact CG-CE1 4.42Å; M42-F365 HydrophobicContact SD-CD1 4.1Å; M42-F365 HydrophobicContact SD-CE1 4.39Å; M42-F365 HydrophobicContact SD-CG 4.41Å; M42-V368 HydrophobicContact CE-CB 3.73Å; M42-V368 HydrophobicContact CE-CG1 3.4Å; M42-V368 HydrophobicContact CE-CG2 4.38Å; M42-V368 HydrophobicContact SD-CB 3.97Å; M42-V368 HydrophobicContact SD-CG1 3.87Å; M42-V368 HydrophobicContact SD-CG2 3.94Å
43T73.4Confident79.6Confident105 Ų10531.5 Ų31.564%0.64418%0.184SC*.EExtended strand (participates in β ladder)trans-98.7133.9171.3-42.60000108.2N48T43-N48 VanDerWaalsContact CG2-O 3.25Å; T43-N48 WeakPolarHBondContact CG2-O 3.44Å
44T62.8Low79.8Confident8 Ų830.3 Ų30.35%0.04918%0.175CC..EExtended strand (participates in β ladder)trans-130.4153.9170.162.50000109.2M42 D46 I47 Q372M42-T44 HydrophobicContact CE-CG2 3.54Å; T44-D46 PolarHBondContact O-N 3.06Å; T44-I47 PolarHBondContact N-O 3.42Å; T44-I47 VanDerWaalsContact N-O 3.11Å; T44-I47 CarbonylContact O-C 3.56Å; T44-I47 PolarHBondContact O-N 3.17Å; T44-I47 VanDerWaalsContact O-N 3.13Å; T44-I47 WeakPolarHBondContact OG1-CB 3.3Å; T44-I47 WeakPolarHBondContact OG1-CG1 3.49Å; T44-I47 PolarHBondContact OG1-N 3.04Å; T44-I47 VanDerWaalsContact OG1-N 3.1Å; T44-I47 PolarHBondContact OG1-O 2.9Å; T44-Q372 VanDerWaalsContact CG2-OE1 3.31Å; T44-Q372 PolarHBondContact OG1-NE2 3.19Å
45P60.2Low79.9Confident132 Ų13228 Ų2886%0.85716%0.16SC*.THydrogen-bonded Turntrans-53.9-30.4-179.1-2735.4000113.9
46D62.4Low79.8Confident133 Ų13328.3 Ų28.371%0.71116%0.161SC*.THydrogen-bonded Turntrans-98.1-17.6-178-56.3-42.1000113.9T44T44-D46 PolarHBondContact O-N 3.06Å
47I61.2Low79.6Confident15 Ų1528.3 Ų28.38%0.07716%0.161CC..EExtended strand (participates in β ladder)trans-122.7106.5177.8-45.9169.1000107.9T44 A49 L50 C74 S381T44-I47 PolarHBondContact N-O 3.42Å; T44-I47 VanDerWaalsContact N-O 3.11Å; T44-I47 CarbonylContact O-C 3.56Å; T44-I47 PolarHBondContact O-N 3.17Å; T44-I47 VanDerWaalsContact O-N 3.13Å; T44-I47 WeakPolarHBondContact OG1-CB 3.3Å; T44-I47 WeakPolarHBondContact OG1-CG1 3.49Å; T44-I47 PolarHBondContact OG1-N 3.04Å; T44-I47 VanDerWaalsContact OG1-N 3.1Å; T44-I47 PolarHBondContact OG1-O 2.9Å; I47-A49 VanDerWaalsContact C-N 3.31Å; I47-A49 PolarHBondContact O-N 3.3Å; I47-L50 HydrophobicContact CD1-CD2 4.34Å; I47-L50 HydrophobicContact CG2-CB 4.12Å; I47-C74 HydrophobicContact CG2-CB 4.3Å; I47-C74 VanDerWaalsContact CG2-SG 3.6Å; I47-S381 WeakPolarHBondContact CD1-OG 3.43Å
48N70.4Confident79Confident113 Ų11333.1 Ų33.160%0.60418%0.182SC*.EExtended strand (participates in β ladder)trans-37.4-60.1179.3-68.1-7.5000112.1T43T43-N48 VanDerWaalsContact CG2-O 3.25Å; T43-N48 WeakPolarHBondContact CG2-O 3.44Å
49A83.4Confident78.4Confident4 Ų433.7 Ų33.73%0.03319%0.187CC..EExtended strand (participates in β ladder)trans-153.9134.9168.500000110E41 I47 C74 L75 T79E41-A49 HydrophobicContact CG-CB 4.44Å; I47-A49 VanDerWaalsContact C-N 3.31Å; I47-A49 PolarHBondContact O-N 3.3Å; A49-C74 CarbonylContact O-C 3.49Å; A49-C74 WeakPolarHBondContact O-CA 3.34Å; A49-L75 HydrophobicContact CB-CB 4.2Å; A49-L75 PolarHBondContact O-N 2.98Å; A49-T79 HydrophobicContact CB-CG2 3.4Å
50L84.8Confident77.6Confident0 Ų038.3 Ų38.30%022%0.217CC..EExtended strand (participates in β ladder)trans-112.5113.4175.9-173.669.8000108.8M42 I47 M52 V368 A382M42-L50 HydrophobicContact CG-CB 3.75Å; M42-L50 HydrophobicContact CG-CD2 4.14Å; M42-L50 HydrophobicContact CG-CG 4.38Å; M42-L50 PolarHBondContact N-O 3.08Å; M42-L50 PolarHBondContact O-N 3.46Å; M42-L50 HydrophobicContact SD-CD2 3.98Å; I47-L50 HydrophobicContact CD1-CD2 4.34Å; I47-L50 HydrophobicContact CG2-CB 4.12Å; L50-M52 HydrophobicContact CD2-CG 4.34Å; L50-M52 HydrophobicContact CD2-SD 4.5Å; L50-M52 HydrophobicContact CG-CG 4.34Å; L50-V368 HydrophobicContact CD2-CG2 4.31Å; L50-A382 HydrophobicContact CD1-CB 3.8Å
51L87.6Confident76.9Confident0 Ų043.2 Ų43.20%025%0.253CS..EExtended strand (participates in β ladder)trans-82.4129.8170-178.866.7000108.8L39 F71 S72 K73 L75 I84 A87 V88 M113L39-L51 HydrophobicContact CB-CD1 4.34Å; L39-L51 HydrophobicContact CD2-CD1 4.41Å; L51-F71 HydrophobicContact CD2-CE2 4.29Å; L51-F71 HydrophobicContact CD2-CZ 4.49Å; L51-S72 CarbonylContact O-C 3.57Å; L51-S72 WeakPolarHBondContact O-CA 3.22Å; L51-K73 PolarHBondContact N-O 3.18Å; L51-K73 PolarHBondContact O-N 3.49Å; L51-L75 HydrophobicContact CB-CD1 4.18Å; L51-L75 HydrophobicContact CB-CD2 4.21Å; L51-L75 HydrophobicContact CB-CG 4.14Å; L51-L75 HydrophobicContact CD2-CD2 4.48Å; L51-I84 HydrophobicContact CD1-CG2 4.09Å; L51-I84 HydrophobicContact CD2-CG2 3.97Å; L51-A87 HydrophobicContact CD2-CB 3.91Å; L51-V88 HydrophobicContact CD2-CG2 4.17Å; L51-M113 HydrophobicContact CD1-CE 4.25Å
52M87.1Confident76.1Confident0 Ų043.6 Ų43.60%026%0.26CS..EExtended strand (participates in β ladder)trans-118.7135.3174.1-64.1178.4-69.900109.7L39 D40 M42 L50 Y54 F69 P364 F365L39-M52 WeakPolarHBondContact CA-O 3.43Å; D40-M52 HydrophobicContact CB-CE 4.49Å; D40-M52 PolarHBondContact N-O 3.44Å; D40-M52 PolarHBondContact O-N 3.5Å; M42-M52 HydrophobicContact CB-CE 4.14Å; M42-M52 HydrophobicContact CG-CE 3.81Å; M42-M52 HydrophobicContact SD-CE 3.49Å; M42-M52 WeakPolarHBondContact SD-CE 3.26Å; M42-M52 HydrophobicContact SD-SD 3.87Å; L50-M52 HydrophobicContact CD2-CG 4.34Å; L50-M52 HydrophobicContact CD2-SD 4.5Å; L50-M52 HydrophobicContact CG-CG 4.34Å; M52-Y54 HydrophobicContact CB-CE2 3.78Å; M52-Y54 WeakPolarHBondContact CB-OH 3.5Å; M52-Y54 PolarHBondContact SD-OH 3Å; M52-Y54 VanDerWaalsContact SD-OH 3.32Å; M52-F69 HydrophobicContact CB-CE2 4.4Å; M52-P364 HydrophobicContact SD-CB 3.86Å; M52-F365 HydrophobicContact CE-CD2 3.92Å; M52-F365 HydrophobicContact CE-CE1 4.41Å; M52-F365 HydrophobicContact CE-CE2 3.6Å; M52-F365 HydrophobicContact CE-CZ 3.86Å
53A89.3Confident75.3Confident0 Ų046.7 Ų46.70%027%0.274CS..EExtended strand (participates in β ladder)trans-119.4135.9178.800000110.6L37 Q38 L39 L70 F71L37-A53 HydrophobicContact CD1-CB 4.17Å; Q38-A53 CarbonylContact O-C 3.46Å; Q38-A53 WeakPolarHBondContact O-CA 3.39Å; L39-A53 HydrophobicContact CD2-CB 3.68Å; A53-L70 HydrophobicContact CB-CB 4.17Å; A53-L70 HydrophobicContact CB-CD2 4.34Å; A53-L70 WeakPolarHBondContact O-CA 3.42Å; A53-L70 WeakPolarHBondContact O-CB 3.43Å; A53-L70 PolarHBondContact O-N 2.89Å; A53-F71 HydrophobicContact CB-CD1 3.68Å; A53-F71 HydrophobicContact CB-CD2 4.32Å; A53-F71 HydrophobicContact CB-CE1 3.47Å; A53-F71 VanDerWaalsContact CB-CE1 3.47Å; A53-F71 HydrophobicContact CB-CE2 4.13Å; A53-F71 HydrophobicContact CB-CG 4.09Å; A53-F71 HydrophobicContact CB-CZ 3.7Å; A53-F71 PolarHBondContact N-O 3.24Å; A53-F71 PolarHBondContact O-N 3.12Å
54Y87.1Confident75Confident2 Ų245 Ų451%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-126.5154175.5-50.3-93.5000109Q38 M52 E68 F69 L360 P364Q38-Y54 HydrophobicContact CG-CD2 4.44Å; Q38-Y54 PolarHBondContact N-O 2.91Å; Q38-Y54 PolarHBondContact O-N 2.92Å; M52-Y54 HydrophobicContact CB-CE2 3.78Å; M52-Y54 WeakPolarHBondContact CB-OH 3.5Å; M52-Y54 PolarHBondContact SD-OH 3Å; M52-Y54 VanDerWaalsContact SD-OH 3.32Å; Y54-E68 WeakPolarHBondContact CA-O 3.47Å; Y54-F69 HydrophobicContact CD1-CB 4.19Å; Y54-F69 AromaticContact CD1-CD2 3.95Å; Y54-F69 HydrophobicContact CD1-CD2 3.95Å; Y54-F69 HydrophobicContact CE1-CB 4.26Å; Y54-F69 AromaticContact CE1-CD2 3.49Å; Y54-F69 HydrophobicContact CE1-CD2 3.49Å; Y54-F69 VanDerWaalsContact CE1-CD2 3.49Å; Y54-F69 HydrophobicContact CE1-CE2 4.34Å; Y54-F69 HydrophobicContact CE1-CG 4.35Å; Y54-F69 AromaticContact CZ-CD2 3.95Å; Y54-L360 HydrophobicContact CD1-CB 3.87Å; Y54-L360 HydrophobicContact CD1-CD1 4.02Å; Y54-L360 HydrophobicContact CD1-CD2 4.11Å; Y54-L360 HydrophobicContact CD1-CG 4.24Å; Y54-L360 HydrophobicContact CE1-CB 4.21Å; Y54-L360 HydrophobicContact CE1-CD2 4.41Å; Y54-L360 WeakPolarHBondContact CE1-O 3.25Å; Y54-L360 HydrophobicContact CG-CB 4.37Å; Y54-L360 HydrophobicContact CG-CD1 4.45Å; Y54-P364 HydrophobicContact CE1-CG 3.73Å; Y54-P364 WeakPolarHBondContact OH-CB 3.47Å; Y54-P364 WeakPolarHBondContact OH-CG 3.37Å
55V87.3Confident75.6Confident3 Ų346.5 Ų46.52%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-127.8143.4177.5-69.40000110.9L26 L30 F35 T36 L37 F57 E67 E68 L70L26-V55 HydrophobicContact CD1-CG2 3.99Å; L26-V55 HydrophobicContact CD2-CG2 4.02Å; L26-V55 HydrophobicContact CG-CG2 4.39Å; L30-V55 HydrophobicContact CD1-CB 4.45Å; L30-V55 HydrophobicContact CD1-CG1 4.05Å; L30-V55 HydrophobicContact CD1-CG2 4.08Å; L30-V55 HydrophobicContact CD2-CB 4.25Å; L30-V55 HydrophobicContact CD2-CG1 4.47Å; L30-V55 HydrophobicContact CD2-CG2 4.15Å; F35-V55 HydrophobicContact CD2-CB 4.18Å; F35-V55 HydrophobicContact CD2-CG1 3.59Å; F35-V55 HydrophobicContact CE2-CG1 3.85Å; F35-V55 HydrophobicContact CG-CG1 4.45Å; T36-V55 VanDerWaalsContact O-CA 3.23Å; T36-V55 WeakPolarHBondContact O-CA 3.36Å; L37-V55 HydrophobicContact CD1-CG1 4.38Å; V55-F57 HydrophobicContact CG2-CD1 4.09Å; V55-F57 HydrophobicContact CG2-CE1 4.19Å; V55-E67 CarbonylContact O-C 3.38Å; V55-E67 VanDerWaalsContact O-CA 3.3Å; V55-E67 WeakPolarHBondContact O-CA 3.01Å; V55-E68 HydrophobicContact CG2-CB 4.24Å; V55-E68 PolarHBondContact N-O 2.71Å; V55-E68 PolarHBondContact O-N 3.16Å; V55-L70 HydrophobicContact CG1-CB 4.05Å; V55-L70 HydrophobicContact CG1-CD1 4.32Å; V55-L70 HydrophobicContact CG1-CD2 3.82Å; V55-L70 HydrophobicContact CG1-CG 4.27Å; V55-L70 HydrophobicContact CG2-CB 4.42Å
56R83.4Confident76.4Confident5 Ų541.3 Ų41.32%0.01924%0.237CC..EExtended strand (participates in β ladder)trans-121127.6169.3-178.4171.4-176.8147.7-6.4109.2F35 T36 M65 A66 E67 S246 L352 L353 F355F35-R56 CarbonylContact C-O 3.56Å; F35-R56 WeakPolarHBondContact CA-O 3.12Å; F35-R56 WeakPolarHBondContact CB-O 3.43Å; T36-R56 PolarHBondContact N-O 3.47Å; T36-R56 PolarHBondContact O-N 3.36Å; R56-M65 HydrophobicContact CG-CE 3.74Å; R56-A66 VanDerWaalsContact CA-O 3.32Å; R56-A66 WeakPolarHBondContact CA-O 3.24Å; R56-E67 HydrophobicContact CB-CG 4.19Å; R56-E67 WeakPolarHBondContact CD-OE1 3.39Å; R56-E67 HydrophobicContact CG-CG 3.91Å; R56-E67 IonicContact CZ-OE1 2.9Å; R56-E67 IonicContact NE-OE1 3.64Å; R56-E67 IonicContact NH1-OE1 3.27Å; R56-E67 PolarHBondContact NH1-OE1 2.86Å; R56-S246 PolarHBondContact NH2-O 2.91Å; R56-L352 PolarHBondContact NE-O 3.16Å; R56-L353 HydrophobicContact CG-CD2 4.42Å; R56-L353 WeakPolarHBondContact O-CD2 3.46Å; R56-F355 PolarHBondContact NH1-O 3.08Å
57F80.6Confident77.3Confident4 Ų436.4 Ų36.42%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-148161.6-173.860.6-83.7000110.7L26 I29 L30 F35 V55 M65 A66 E68L26-F57 HydrophobicContact CD1-CD1 4.28Å; L26-F57 HydrophobicContact CD1-CE1 3.41Å; L26-F57 VanDerWaalsContact CD1-CE1 3.41Å; L26-F57 HydrophobicContact CD1-CZ 3.68Å; I29-F57 HydrophobicContact CD1-CE2 4.09Å; I29-F57 HydrophobicContact CD1-CZ 4.39Å; I29-F57 HydrophobicContact CG2-CD2 3.65Å; I29-F57 HydrophobicContact CG2-CE2 3.66Å; L30-F57 HydrophobicContact CD2-CB 4.38Å; L30-F57 HydrophobicContact CD2-CD1 4.05Å; L30-F57 HydrophobicContact CD2-CG 4.25Å; F35-F57 HydrophobicContact CB-CB 3.96Å; V55-F57 HydrophobicContact CG2-CD1 4.09Å; V55-F57 HydrophobicContact CG2-CE1 4.19Å; F57-M65 VanDerWaalsContact C-CE 3.48Å; F57-M65 WeakPolarHBondContact O-CE 3.34Å; F57-A66 HydrophobicContact CD2-CB 4.32Å; F57-A66 HydrophobicContact CE1-CB 4.11Å; F57-A66 HydrophobicContact CE2-CB 3.83Å; F57-A66 HydrophobicContact CZ-CB 3.71Å; F57-A66 PolarHBondContact N-O 3.42Å; F57-A66 PolarHBondContact O-N 3.06Å; F57-E68 HydrophobicContact CE1-CB 4.18Å; F57-E68 HydrophobicContact CE1-CG 4.04Å; F57-E68 HydrophobicContact CZ-CG 4.25Å
58K76.3Confident78.5Confident102 Ų10235.7 Ų35.744%0.44321%0.206SC..EExtended strand (participates in β ladder)trans-76.7124.5172.7-176.9174-179174.60108.7M65K58-M65 HydrophobicContact CB-SD 4.45Å
59A74.8Confident79.2Confident16 Ų1630.6 Ų30.613%0.13218%0.178CC..  trans-63.2139.5178.800000110.5S61 S62 D64 A66A59-S61 PolarHBondContact O-N 3.03Å; A59-S62 WeakPolarHBondContact CB-OG 3.25Å; A59-D64 PolarHBondContact N-O 2.95Å; A59-D64 VanDerWaalsContact N-O 3.12Å; A59-A66 HydrophobicContact CB-CB 4.29Å
60P72.6Confident79.4Confident99 Ų9930.4 Ų30.464%0.64318%0.177SC*.THydrogen-bonded Turntrans-64.9-28.4178.8-23.433.3000113.8I29I29-P60 HydrophobicContact CD1-CG 4.38Å; I29-P60 HydrophobicContact CG1-CG 4.17Å; I29-P60 HydrophobicContact CG2-CG 4.11Å
61S69.1Low79.5Confident121 Ų12130.7 Ų30.785%0.84618%0.178SC*.THydrogen-bonded Turntrans-108.21.3-171.558.60000114.4A59A59-S61 PolarHBondContact O-N 3.03Å
62S66.8Low79.4Confident45 Ų4531.8 Ų31.832%0.31519%0.185SC..SBendtrans-144160.7175700000110.9A59 D64A59-S62 WeakPolarHBondContact CB-OG 3.25Å; S62-D64 PolarHBondContact O-N 2.94Å; S62-D64 WeakPolarHBondContact OG-CB 3.42Å; S62-D64 PolarHBondContact OG-N 2.91Å
63E61.5Low79.4Confident74 Ų7435.7 Ų35.735%0.34620%0.203SC..SBendtrans-75.6-0.6170.6-60.1-159.513600112.6Q251 S252E63-Q251 WeakPolarHBondContact OE2-CA 3.08Å; E63-S252 PolarHBondContact OE1-N 3.29Å; E63-S252 PolarHBondContact OE1-OG 3.26Å; E63-S252 PolarHBondContact OE2-N 2.99Å
64D67.1Low79.2Confident70 Ų7037.8 Ų37.837%0.37422%0.217SC..SBendtrans-81.9152.1-176.3-56.7-47000112.4A59 S62 P249A59-D64 PolarHBondContact N-O 2.95Å; A59-D64 VanDerWaalsContact N-O 3.12Å; S62-D64 PolarHBondContact O-N 2.94Å; S62-D64 WeakPolarHBondContact OG-CB 3.42Å; S62-D64 PolarHBondContact OG-N 2.91Å; D64-P249 WeakPolarHBondContact OD1-CB 3.33Å
65M74.3Confident79.1Confident39 Ų3938.1 Ų38.119%0.19222%0.218CC..EExtended strand (participates in β ladder)trans-77.2127.7168.1-65.1-53.5-55.600109.3R56 F57 K58 V250 L353R56-M65 HydrophobicContact CG-CE 3.74Å; F57-M65 VanDerWaalsContact C-CE 3.48Å; F57-M65 WeakPolarHBondContact O-CE 3.34Å; K58-M65 HydrophobicContact CB-SD 4.45Å; M65-V250 HydrophobicContact CG-CG2 4.04Å; M65-V250 HydrophobicContact SD-CG2 4.42Å; M65-L353 HydrophobicContact CE-CD2 3.2Å; M65-L353 HydrophobicContact CE-CG 3.83Å
66A78.1Confident78.6Confident23 Ų2346.2 Ų46.219%0.1925%0.253CS..EExtended strand (participates in β ladder)trans-101.3143.8171.300000110R56 F57 A59R56-A66 VanDerWaalsContact CA-O 3.32Å; R56-A66 WeakPolarHBondContact CA-O 3.24Å; F57-A66 HydrophobicContact CD2-CB 4.32Å; F57-A66 HydrophobicContact CE1-CB 4.11Å; F57-A66 HydrophobicContact CE2-CB 3.83Å; F57-A66 HydrophobicContact CZ-CB 3.71Å; F57-A66 PolarHBondContact N-O 3.42Å; F57-A66 PolarHBondContact O-N 3.06Å; A59-A66 HydrophobicContact CB-CB 4.29Å
67E81.8Confident78.4Confident29 Ų2951.8 Ų51.814%0.13629%0.288CS..EExtended strand (participates in β ladder)trans-126.3133.1172-50.9-171.7148.100109.8V55 R56 P356 T357 L360V55-E67 CarbonylContact O-C 3.38Å; V55-E67 VanDerWaalsContact O-CA 3.3Å; V55-E67 WeakPolarHBondContact O-CA 3.01Å; R56-E67 HydrophobicContact CB-CG 4.19Å; R56-E67 WeakPolarHBondContact CD-OE1 3.39Å; R56-E67 HydrophobicContact CG-CG 3.91Å; R56-E67 IonicContact CZ-OE1 2.9Å; R56-E67 IonicContact NE-OE1 3.64Å; R56-E67 IonicContact NH1-OE1 3.27Å; R56-E67 PolarHBondContact NH1-OE1 2.86Å; E67-P356 VanDerWaalsContact OE1-CA 3.28Å; E67-P356 WeakPolarHBondContact OE1-CA 3.4Å; E67-T357 WeakPolarHBondContact OE1-CG2 3.46Å; E67-T357 PolarHBondContact OE1-N 2.81Å; E67-T357 WeakPolarHBondContact OE2-CB 3.41Å; E67-T357 VanDerWaalsContact OE2-CG2 3.28Å; E67-T357 WeakPolarHBondContact OE2-CG2 3.34Å; E67-T357 PolarHBondContact OE2-N 3.17Å; E67-T357 PolarHBondContact OE2-OG1 3.02Å; E67-L360 HydrophobicContact CB-CD1 3.4Å; E67-L360 HydrophobicContact CB-CG 4.46Å; E67-L360 HydrophobicContact CG-CD1 4.44Å
68E84.6Confident78.6Confident1 Ų154.1 Ų54.11%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-141.5148.9-175.9-73.5-64.7156.800111.7L26 Y54 V55 F57 L70 T392 S393 L394L26-E68 HydrophobicContact CD1-CB 3.94Å; L26-E68 HydrophobicContact CD1-CG 4.22Å; L26-E68 HydrophobicContact CD2-CB 3.79Å; Y54-E68 WeakPolarHBondContact CA-O 3.47Å; V55-E68 HydrophobicContact CG2-CB 4.24Å; V55-E68 PolarHBondContact N-O 2.71Å; V55-E68 PolarHBondContact O-N 3.16Å; F57-E68 HydrophobicContact CE1-CB 4.18Å; F57-E68 HydrophobicContact CE1-CG 4.04Å; F57-E68 HydrophobicContact CZ-CG 4.25Å; E68-L70 PolarHBondContact O-N 3.49Å; E68-T392 WeakPolarHBondContact OE2-CA 3.08Å; E68-T392 VanDerWaalsContact OE2-CB 3.29Å; E68-T392 WeakPolarHBondContact OE2-CB 3.47Å; E68-T392 PolarHBondContact OE2-OG1 3.01Å; E68-S393 WeakPolarHBondContact OE1-CB 3.35Å; E68-S393 PolarHBondContact OE1-N 3.17Å; E68-S393 PolarHBondContact OE1-OG 3.31Å; E68-S393 PolarHBondContact OE2-N 3.27Å; E68-L394 HydrophobicContact CG-CG 4.41Å; E68-L394 PolarHBondContact OE1-N 3.32Å
69F85.4Confident79Confident5 Ų551.6 Ų51.62%0.02229%0.294CS..EExtended strand (participates in β ladder)trans-72.2120.6169.1173.7-103.2000109.8M52 Y54 F71 L387 R388 L391M52-F69 HydrophobicContact CB-CE2 4.4Å; Y54-F69 HydrophobicContact CD1-CB 4.19Å; Y54-F69 AromaticContact CD1-CD2 3.95Å; Y54-F69 HydrophobicContact CD1-CD2 3.95Å; Y54-F69 HydrophobicContact CE1-CB 4.26Å; Y54-F69 AromaticContact CE1-CD2 3.49Å; Y54-F69 HydrophobicContact CE1-CD2 3.49Å; Y54-F69 VanDerWaalsContact CE1-CD2 3.49Å; Y54-F69 HydrophobicContact CE1-CE2 4.34Å; Y54-F69 HydrophobicContact CE1-CG 4.35Å; Y54-F69 AromaticContact CZ-CD2 3.95Å; F69-F71 WeakPolarHBondContact CE2-O 3.44Å; F69-F71 WeakPolarHBondContact CZ-O 3.32Å; F69-L387 HydrophobicContact CE2-CD2 4.43Å; F69-L387 HydrophobicContact CZ-CD2 3.97Å; F69-L387 HydrophobicContact CZ-CG 4.42Å; F69-R388 HydrophobicContact CD1-CB 4.14Å; F69-R388 HydrophobicContact CD1-CG 4.18Å; F69-R388 HydrophobicContact CE1-CB 4.27Å; F69-L391 HydrophobicContact CB-CB 3.9Å; F69-L391 HydrophobicContact CB-CD1 4.35Å; F69-L391 HydrophobicContact CD2-CD1 3.88Å; F69-L391 HydrophobicContact CE2-CD1 4.25Å; F69-L391 HydrophobicContact CG-CB 4.34Å; F69-L391 HydrophobicContact CG-CD1 4.02Å
70L87.6Confident79.8Confident1 Ų157.4 Ų57.41%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-84.3-66.5-178.4-174.964.9000110.6L26 L30 L37 A53 V55 E68 Y91 R388L26-L70 HydrophobicContact CD2-CD1 3.94Å; L26-L70 HydrophobicContact CG-CD1 4.41Å; L30-L70 HydrophobicContact CD1-CD1 3.47Å; L30-L70 VanDerWaalsContact CD1-CD1 3.47Å; L37-L70 HydrophobicContact CD1-CD2 4.31Å; A53-L70 HydrophobicContact CB-CB 4.17Å; A53-L70 HydrophobicContact CB-CD2 4.34Å; A53-L70 WeakPolarHBondContact O-CA 3.42Å; A53-L70 WeakPolarHBondContact O-CB 3.43Å; A53-L70 PolarHBondContact O-N 2.89Å; V55-L70 HydrophobicContact CG1-CB 4.05Å; V55-L70 HydrophobicContact CG1-CD1 4.32Å; V55-L70 HydrophobicContact CG1-CD2 3.82Å; V55-L70 HydrophobicContact CG1-CG 4.27Å; V55-L70 HydrophobicContact CG2-CB 4.42Å; E68-L70 PolarHBondContact O-N 3.49Å; L70-Y91 HydrophobicContact CD1-CE1 3.87Å; L70-Y91 HydrophobicContact CD2-CD1 4.31Å; L70-Y91 HydrophobicContact CD2-CE1 3.94Å; L70-Y91 HydrophobicContact CG-CE1 3.73Å; L70-R388 PolarHBondContact O-NH2 3.27Å
71F87.3Confident80.7Confident5 Ų553 Ų532%0.02229%0.29CS..EExtended strand (participates in β ladder)trans-154.6164.1-179.473.2-100.7000112.3L51 A53 F69 K73 V88 Y91L51-F71 HydrophobicContact CD2-CE2 4.29Å; L51-F71 HydrophobicContact CD2-CZ 4.49Å; A53-F71 HydrophobicContact CB-CD1 3.68Å; A53-F71 HydrophobicContact CB-CD2 4.32Å; A53-F71 HydrophobicContact CB-CE1 3.47Å; A53-F71 VanDerWaalsContact CB-CE1 3.47Å; A53-F71 HydrophobicContact CB-CE2 4.13Å; A53-F71 HydrophobicContact CB-CG 4.09Å; A53-F71 HydrophobicContact CB-CZ 3.7Å; A53-F71 PolarHBondContact N-O 3.24Å; A53-F71 PolarHBondContact O-N 3.12Å; F69-F71 WeakPolarHBondContact CE2-O 3.44Å; F69-F71 WeakPolarHBondContact CZ-O 3.32Å; F71-K73 HydrophobicContact CD2-CB 4.11Å; F71-K73 HydrophobicContact CE2-CB 4.02Å; F71-V88 HydrophobicContact CZ-CB 4.45Å; F71-V88 HydrophobicContact CZ-CG2 3.97Å; F71-Y91 HydrophobicContact CB-CD2 3.91Å; F71-Y91 HydrophobicContact CB-CE1 4.42Å; F71-Y91 HydrophobicContact CB-CE2 3.54Å; F71-Y91 HydrophobicContact CB-CG 4.48Å; F71-Y91 AromaticContact CD1-CD1 3.37Å; F71-Y91 HydrophobicContact CD1-CD1 3.37Å; F71-Y91 AromaticContact CD1-CD2 3.75Å; F71-Y91 HydrophobicContact CD1-CD2 3.75Å; F71-Y91 AromaticContact CD1-CE1 3.62Å; F71-Y91 HydrophobicContact CD1-CE1 3.62Å; F71-Y91 AromaticContact CD1-CE2 3.97Å; F71-Y91 HydrophobicContact CD1-CE2 3.97Å; F71-Y91 AromaticContact CD1-CG 3.44Å; F71-Y91 HydrophobicContact CD1-CG 3.44Å; F71-Y91 VanDerWaalsContact CD1-CG 3.44Å; F71-Y91 AromaticContact CD1-CZ 3.9Å; F71-Y91 AromaticContact CE1-CD1 3.72Å; F71-Y91 HydrophobicContact CE1-CD1 3.72Å; F71-Y91 HydrophobicContact CE1-CD2 4.44Å; F71-Y91 HydrophobicContact CE1-CE1 4.37Å; F71-Y91 AromaticContact CE1-CG 3.76Å; F71-Y91 HydrophobicContact CE1-CG 3.76Å; F71-Y91 HydrophobicContact CG-CD1 4.27Å; F71-Y91 AromaticContact CG-CD2 3.82Å; F71-Y91 HydrophobicContact CG-CD2 3.82Å; F71-Y91 HydrophobicContact CG-CE1 4.39Å; F71-Y91 AromaticContact CG-CE2 3.95Å; F71-Y91 HydrophobicContact CG-CE2 3.95Å; F71-Y91 AromaticContact CG-CG 3.98Å; F71-Y91 HydrophobicContact CG-CG 3.98Å
72S86.1Confident81.9Confident23 Ų2351.7 Ų51.716%0.16127%0.27CS..EExtended strand (participates in β ladder)trans-124.4142.2162.8510000110L51 A382L51-S72 CarbonylContact O-C 3.57Å; L51-S72 WeakPolarHBondContact O-CA 3.22Å; S72-A382 PolarHBondContact OG-O 3.47Å
73K85.8Confident83.2Confident83 Ų8351 Ų5136%0.36126%0.264SS..EExtended strand (participates in β ladder)trans-140.8128.4178.5-154.1172.5-169.8170.50110.6L51 F71 L75 A87L51-K73 PolarHBondContact N-O 3.18Å; L51-K73 PolarHBondContact O-N 3.49Å; F71-K73 HydrophobicContact CD2-CB 4.11Å; F71-K73 HydrophobicContact CE2-CB 4.02Å; K73-L75 PolarHBondContact O-N 3.43Å; K73-A87 HydrophobicContact CD-CB 3.92Å
74C85.4Confident84.7Confident44 Ų4447.4 Ų47.430%0.29725%0.247SC..EExtended strand (participates in β ladder)trans-74.1124.4173.3-177.90000109.7I47 A49 A382I47-C74 HydrophobicContact CG2-CB 4.3Å; I47-C74 VanDerWaalsContact CG2-SG 3.6Å; A49-C74 CarbonylContact O-C 3.49Å; A49-C74 WeakPolarHBondContact O-CA 3.34Å; C74-A382 HydrophobicContact CB-CB 3.96Å
75L86.1Confident86.1Confident8 Ų844.9 Ų44.94%0.04223%0.233CC..  trans-90.4107.2174.6-52.5-177.1000108.1A49 L51 K73 T79 T83 I84 A87A49-L75 HydrophobicContact CB-CB 4.2Å; A49-L75 PolarHBondContact O-N 2.98Å; L51-L75 HydrophobicContact CB-CD1 4.18Å; L51-L75 HydrophobicContact CB-CD2 4.21Å; L51-L75 HydrophobicContact CB-CG 4.14Å; L51-L75 HydrophobicContact CD2-CD2 4.48Å; K73-L75 PolarHBondContact O-N 3.43Å; L75-T79 HydrophobicContact CD1-CG2 4.29Å; L75-T83 HydrophobicContact CD2-CG2 4.32Å; L75-I84 HydrophobicContact CD1-CG1 3.91Å; L75-A87 HydrophobicContact CD2-CB 3.98Å
76K76.9Confident87.1Confident173 Ų17347.1 Ų47.175%0.75225%0.245SC*.SBendtrans-79-33.9-170-65.7-175.7179.4-178.80113.8
77T79.4Confident87.8Confident122 Ų12246.3 Ų46.375%0.74824%0.239SC*.SBendtrans-101.1-61.9-167.749.20000112.4
78D83.9Confident88.5Confident53 Ų5345 Ų4528%0.28323%0.233SC..  trans-148174.5179.167.146.7000110.5K80 T83D78-K80 HydrophobicContact CB-CG 4.26Å; D78-K80 WeakPolarHBondContact OD1-CB 3.34Å; D78-K80 PolarHBondContact OD1-N 3.46Å; D78-K80 WeakPolarHBondContact OD2-CD 3.19Å; D78-K80 IonicContact OD2-NZ 3.6Å; D78-T83 WeakPolarHBondContact O-CG2 3.36Å; D78-T83 VanDerWaalsContact OD1-CB 3.24Å; D78-T83 WeakPolarHBondContact OD1-CB 3.06Å; D78-T83 PolarHBondContact OD1-OG1 3.1Å
79T85.4Confident89Confident50 Ų5047.1 Ų47.131%0.30724%0.243SC..  trans-109.424.1177.255.10000111.4E41 A49 L75 I84 S112E41-T79 VanDerWaalsContact OE1-CG2 3.29Å; E41-T79 WeakPolarHBondContact OE1-CG2 3.46Å; E41-T79 WeakPolarHBondContact OE2-CB 3.39Å; A49-T79 HydrophobicContact CB-CG2 3.4Å; L75-T79 HydrophobicContact CD1-CG2 4.29Å; T79-I84 WeakPolarHBondContact O-CD1 3.37Å; T79-S112 WeakPolarHBondContact O-CB 3.22Å
80K91.3Very high89.5Confident137 Ų13748 Ų4860%0.59625%0.253SS*.  trans-68.3156.3-178-66177.3-175.5168.30111.1D78 Q82 T83 I84D78-K80 HydrophobicContact CB-CG 4.26Å; D78-K80 WeakPolarHBondContact OD1-CB 3.34Å; D78-K80 PolarHBondContact OD1-N 3.46Å; D78-K80 WeakPolarHBondContact OD2-CD 3.19Å; D78-K80 IonicContact OD2-NZ 3.6Å; K80-Q82 PolarHBondContact O-N 2.89Å; K80-Q82 VanDerWaalsContact O-N 3.14Å; K80-T83 WeakPolarHBondContact O-CB 3.38Å; K80-T83 PolarHBondContact O-N 3.26Å; K80-I84 PolarHBondContact O-N 3.34Å
81G91.4Very high89.8Confident8 Ų848.6 Ų48.68%0.08226%0.256CS..Hα-helixtrans-53.2-37.2178.500000114.1F85 S112G81-F85 VanDerWaalsContact O-CB 3.27Å; G81-F85 WeakPolarHBondContact O-CB 3.03Å; G81-F85 PolarHBondContact O-N 2.81Å; G81-S112 WeakPolarHBondContact CA-O 3.33Å; G81-S112 PolarHBondContact N-O 3.11Å
82Q94.1Very high90.2Very high92 Ų9248.5 Ų48.543%0.4326%0.255SS..Hα-helixtrans-63.9-42.8174.9-171.865.260.500112.7K80 F85 N86 L119K80-Q82 PolarHBondContact O-N 2.89Å; K80-Q82 VanDerWaalsContact O-N 3.14Å; Q82-F85 PolarHBondContact O-N 3.16Å; Q82-N86 PolarHBondContact NE2-OD1 3.28Å; Q82-N86 WeakPolarHBondContact O-CB 3.43Å; Q82-N86 PolarHBondContact O-N 2.91Å; Q82-N86 PolarHBondContact O-ND2 3.19Å; Q82-N86 PolarHBondContact O-OD1 3.4Å; Q82-L119 HydrophobicContact CB-CD1 4.27Å
83T93.6Very high90.7Very high30 Ų3053.1 Ų53.118%0.18427%0.274CS..Hα-helixtrans-67.2-41.8-179.8-58.20000110.9L75 D78 K80 N86 A87L75-T83 HydrophobicContact CD2-CG2 4.32Å; D78-T83 WeakPolarHBondContact O-CG2 3.36Å; D78-T83 VanDerWaalsContact OD1-CB 3.24Å; D78-T83 WeakPolarHBondContact OD1-CB 3.06Å; D78-T83 PolarHBondContact OD1-OG1 3.1Å; K80-T83 WeakPolarHBondContact O-CB 3.38Å; K80-T83 PolarHBondContact O-N 3.26Å; T83-N86 PolarHBondContact O-N 3.26Å; T83-A87 WeakPolarHBondContact O-CB 3.1Å; T83-A87 PolarHBondContact O-N 2.97Å
84I93.6Very high91.1Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-62.5-45.7173.4-64.2168.3000110.3L39 L51 L75 T79 K80 N86 A87 V88 M113 F116L39-I84 HydrophobicContact CD1-CG2 4.02Å; L51-I84 HydrophobicContact CD1-CG2 4.09Å; L51-I84 HydrophobicContact CD2-CG2 3.97Å; L75-I84 HydrophobicContact CD1-CG1 3.91Å; T79-I84 WeakPolarHBondContact O-CD1 3.37Å; K80-I84 PolarHBondContact O-N 3.34Å; I84-N86 PolarHBondContact O-N 2.83Å; I84-A87 WeakPolarHBondContact O-CB 3.5Å; I84-A87 PolarHBondContact O-N 2.87Å; I84-V88 WeakPolarHBondContact O-CG2 3.27Å; I84-V88 PolarHBondContact O-N 2.94Å; I84-M113 HydrophobicContact CD1-CE 4.36Å; I84-M113 HydrophobicContact CD1-SD 3.87Å; I84-M113 HydrophobicContact CG2-SD 4.34Å; I84-F116 HydrophobicContact CB-CB 4.35Å; I84-F116 HydrophobicContact CB-CD2 4.4Å; I84-F116 HydrophobicContact CG2-CB 4.06Å; I84-F116 HydrophobicContact CG2-CD2 3.74Å; I84-F116 HydrophobicContact CG2-CE2 4.42Å; I84-F116 HydrophobicContact CG2-CG 3.91Å
85F95.4Very high91.5Very high16 Ų1655 Ų557%0.0728%0.279CS..Hα-helixtrans-60.2-48177.8179.5-92.9000111.6G81 Q82 A87 V88 H89 I99 F116 L119 Q123G81-F85 VanDerWaalsContact O-CB 3.27Å; G81-F85 WeakPolarHBondContact O-CB 3.03Å; G81-F85 PolarHBondContact O-N 2.81Å; Q82-F85 PolarHBondContact O-N 3.16Å; F85-A87 VanDerWaalsContact C-N 3.27Å; F85-A87 PolarHBondContact O-N 2.85Å; F85-V88 PolarHBondContact O-N 2.99Å; F85-H89 HydrophobicContact CD1-CB 4.31Å; F85-H89 HydrophobicContact CE1-CB 3.91Å; F85-H89 HydrophobicContact CZ-CB 4.06Å; F85-H89 WeakPolarHBondContact O-CB 3.13Å; F85-H89 PolarHBondContact O-N 2.75Å; F85-I99 HydrophobicContact CE2-CD1 4.31Å; F85-I99 HydrophobicContact CZ-CD1 4.47Å; F85-F116 HydrophobicContact CB-CD2 3.83Å; F85-F116 HydrophobicContact CB-CE2 4.36Å; F85-F116 HydrophobicContact CD2-CD2 4.16Å; F85-F116 HydrophobicContact CD2-CE2 4.07Å; F85-L119 HydrophobicContact CB-CB 4.24Å; F85-L119 HydrophobicContact CB-CD1 3.71Å; F85-L119 HydrophobicContact CD1-CB 4.43Å; F85-L119 HydrophobicContact CD1-CD1 4.43Å; F85-L119 HydrophobicContact CD2-CB 3.65Å; F85-L119 HydrophobicContact CE2-CB 4.13Å; F85-L119 HydrophobicContact CG-CB 3.83Å; F85-L119 HydrophobicContact CG-CD1 4.01Å; F85-Q123 HydrophobicContact CE2-CG 4.14Å; F85-Q123 HydrophobicContact CZ-CG 3.71Å
86N95.1Very high91.9Very high86 Ų8658.6 Ų58.646%0.4631%0.306SS..Hα-helixtrans-61.4-36.6177.1-67.8-9.9000111.9Q82 T83 I84 G90Q82-N86 PolarHBondContact NE2-OD1 3.28Å; Q82-N86 WeakPolarHBondContact O-CB 3.43Å; Q82-N86 PolarHBondContact O-N 2.91Å; Q82-N86 PolarHBondContact O-ND2 3.19Å; Q82-N86 PolarHBondContact O-OD1 3.4Å; T83-N86 PolarHBondContact O-N 3.26Å; I84-N86 PolarHBondContact O-N 2.83Å; N86-G90 WeakPolarHBondContact O-CA 3.28Å; N86-G90 PolarHBondContact O-N 2.68Å
87A93.8Very high92.9Very high6 Ų650.7 Ų50.75%0.0527%0.271CS..Hα-helixtrans-63.1-48.9176.200000112L51 K73 L75 T83 I84 F85 Y91L51-A87 HydrophobicContact CD2-CB 3.91Å; K73-A87 HydrophobicContact CD-CB 3.92Å; L75-A87 HydrophobicContact CD2-CB 3.98Å; T83-A87 WeakPolarHBondContact O-CB 3.1Å; T83-A87 PolarHBondContact O-N 2.97Å; I84-A87 WeakPolarHBondContact O-CB 3.5Å; I84-A87 PolarHBondContact O-N 2.87Å; F85-A87 VanDerWaalsContact C-N 3.27Å; F85-A87 PolarHBondContact O-N 2.85Å; A87-Y91 WeakPolarHBondContact O-CB 3.17Å; A87-Y91 PolarHBondContact O-N 3.43Å
88V95.3Very high93.6Very high3 Ų347.3 Ų47.32%0.01825%0.252CS..Hα-helixtrans-67.6-53178.2175.30000110.8L37 L39 L51 F71 I84 F85 G90 Y91 L92 F116L37-V88 HydrophobicContact CD2-CG1 3.84Å; L39-V88 HydrophobicContact CD1-CG2 3.92Å; L39-V88 HydrophobicContact CD2-CG2 3.94Å; L51-V88 HydrophobicContact CD2-CG2 4.17Å; F71-V88 HydrophobicContact CZ-CB 4.45Å; F71-V88 HydrophobicContact CZ-CG2 3.97Å; I84-V88 WeakPolarHBondContact O-CG2 3.27Å; I84-V88 PolarHBondContact O-N 2.94Å; F85-V88 PolarHBondContact O-N 2.99Å; V88-G90 PolarHBondContact O-N 2.66Å; V88-Y91 WeakPolarHBondContact O-CB 2.95Å; V88-Y91 PolarHBondContact O-N 2.72Å; V88-Y91 VanDerWaalsContact O-N 3.17Å; V88-L92 HydrophobicContact CG1-CD1 3.96Å; V88-L92 HydrophobicContact CG1-CG 4.42Å; V88-L92 WeakPolarHBondContact O-CG 3.29Å; V88-L92 PolarHBondContact O-N 2.97Å; V88-F116 HydrophobicContact CB-CE2 4.1Å; V88-F116 HydrophobicContact CG1-CE2 4.38Å; V88-F116 HydrophobicContact CG1-CZ 4.5Å; V88-F116 HydrophobicContact CG2-CE2 3.96Å; V88-F116 HydrophobicContact CG2-CZ 4.36Å
89H95.9Very high94.1Very high44 Ų4446 Ų4620%0.20424%0.244CC..Hα-helixtrans-61-45.7-177.6-176.4-118.7000111.7F85 Y91 L92 Q93F85-H89 HydrophobicContact CD1-CB 4.31Å; F85-H89 HydrophobicContact CE1-CB 3.91Å; F85-H89 HydrophobicContact CZ-CB 4.06Å; F85-H89 WeakPolarHBondContact O-CB 3.13Å; F85-H89 PolarHBondContact O-N 2.75Å; H89-Y91 VanDerWaalsContact C-N 3.3Å; H89-Y91 PolarHBondContact O-N 3.3Å; H89-L92 PolarHBondContact O-N 2.98Å; H89-Q93 PolarHBondContact CE1-NE2 3.46Å; H89-Q93 PolarHBondContact ND1-OE1 3.28Å; H89-Q93 WeakPolarHBondContact O-CB 3.25Å; H89-Q93 WeakPolarHBondContact O-CG 3.33Å; H89-Q93 PolarHBondContact O-N 2.58Å
90G96.1Very high94.4Very high24 Ų2448 Ų4825%0.24726%0.257CS..Hα-helixtrans-61.4-37.3176.500000112.8N86 V88 E94N86-G90 WeakPolarHBondContact O-CA 3.28Å; N86-G90 PolarHBondContact O-N 2.68Å; V88-G90 PolarHBondContact O-N 2.66Å; G90-E94 WeakPolarHBondContact O-CB 3.02Å; G90-E94 PolarHBondContact O-N 3.27Å
91Y94.6Very high94.3Very high14 Ų1443.1 Ų43.16%0.05524%0.237CC..Hα-helixtrans-64.9-47.1173.9178.6-88.3000111.8E23 L70 F71 A87 V88 H89 Q93 E94 K95E23-Y91 WeakPolarHBondContact CG-OH 3.34Å; E23-Y91 WeakPolarHBondContact OE1-CE2 3.5Å; E23-Y91 VanDerWaalsContact OE1-CZ 3.25Å; E23-Y91 PolarHBondContact OE1-OH 3.03Å; L70-Y91 HydrophobicContact CD1-CE1 3.87Å; L70-Y91 HydrophobicContact CD2-CD1 4.31Å; L70-Y91 HydrophobicContact CD2-CE1 3.94Å; L70-Y91 HydrophobicContact CG-CE1 3.73Å; F71-Y91 HydrophobicContact CB-CD2 3.91Å; F71-Y91 HydrophobicContact CB-CE1 4.42Å; F71-Y91 HydrophobicContact CB-CE2 3.54Å; F71-Y91 HydrophobicContact CB-CG 4.48Å; F71-Y91 AromaticContact CD1-CD1 3.37Å; F71-Y91 HydrophobicContact CD1-CD1 3.37Å; F71-Y91 AromaticContact CD1-CD2 3.75Å; F71-Y91 HydrophobicContact CD1-CD2 3.75Å; F71-Y91 AromaticContact CD1-CE1 3.62Å; F71-Y91 HydrophobicContact CD1-CE1 3.62Å; F71-Y91 AromaticContact CD1-CE2 3.97Å; F71-Y91 HydrophobicContact CD1-CE2 3.97Å; F71-Y91 AromaticContact CD1-CG 3.44Å; F71-Y91 HydrophobicContact CD1-CG 3.44Å; F71-Y91 VanDerWaalsContact CD1-CG 3.44Å; F71-Y91 AromaticContact CD1-CZ 3.9Å; F71-Y91 AromaticContact CE1-CD1 3.72Å; F71-Y91 HydrophobicContact CE1-CD1 3.72Å; F71-Y91 HydrophobicContact CE1-CD2 4.44Å; F71-Y91 HydrophobicContact CE1-CE1 4.37Å; F71-Y91 AromaticContact CE1-CG 3.76Å; F71-Y91 HydrophobicContact CE1-CG 3.76Å; F71-Y91 HydrophobicContact CG-CD1 4.27Å; F71-Y91 AromaticContact CG-CD2 3.82Å; F71-Y91 HydrophobicContact CG-CD2 3.82Å; F71-Y91 HydrophobicContact CG-CE1 4.39Å; F71-Y91 AromaticContact CG-CE2 3.95Å; F71-Y91 HydrophobicContact CG-CE2 3.95Å; F71-Y91 AromaticContact CG-CG 3.98Å; F71-Y91 HydrophobicContact CG-CG 3.98Å; A87-Y91 WeakPolarHBondContact O-CB 3.17Å; A87-Y91 PolarHBondContact O-N 3.43Å; V88-Y91 WeakPolarHBondContact O-CB 2.95Å; V88-Y91 PolarHBondContact O-N 2.72Å; V88-Y91 VanDerWaalsContact O-N 3.17Å; H89-Y91 VanDerWaalsContact C-N 3.3Å; H89-Y91 PolarHBondContact O-N 3.3Å; Y91-Q93 VanDerWaalsContact C-N 3.32Å; Y91-Q93 PolarHBondContact O-N 3.3Å; Y91-E94 PolarHBondContact O-N 3.43Å; Y91-K95 HydrophobicContact CD1-CG 4.38Å; Y91-K95 HydrophobicContact CE1-CG 3.92Å; Y91-K95 HydrophobicContact CE2-CG 4.13Å; Y91-K95 WeakPolarHBondContact O-CG 3.36Å; Y91-K95 PolarHBondContact O-N 2.82Å
92L95.9Very high94.1Very high2 Ų242.8 Ų42.81%0.0123%0.233CC..Hα-helixtrans-61.4-42.1178.6-65.3173.3000111.4F35 V88 H89 K95 S96 I97 I99 I102F35-L92 HydrophobicContact CZ-CD2 4.32Å; V88-L92 HydrophobicContact CG1-CD1 3.96Å; V88-L92 HydrophobicContact CG1-CG 4.42Å; V88-L92 WeakPolarHBondContact O-CG 3.29Å; V88-L92 PolarHBondContact O-N 2.97Å; H89-L92 PolarHBondContact O-N 2.98Å; L92-K95 CarbonylContact O-C 3.58Å; L92-K95 PolarHBondContact O-N 3.26Å; L92-S96 PolarHBondContact O-N 3.31Å; L92-I97 HydrophobicContact CB-CB 4.42Å; L92-I97 HydrophobicContact CD2-CB 3.83Å; L92-I97 HydrophobicContact CD2-CD1 4.1Å; L92-I97 HydrophobicContact CD2-CG2 3.78Å; L92-I97 PolarHBondContact O-N 3.11Å; L92-I99 HydrophobicContact CD1-CB 4.36Å; L92-I99 HydrophobicContact CD1-CG1 4.09Å; L92-I102 HydrophobicContact CD1-CD1 3.91Å
93Q96.2Very high93.6Very high121 Ų12140.5 Ų40.557%0.56522%0.224SC*.Hα-helixtrans-62.9-48.9175.4-72.9-177-45.800112H89 Y91 K95 S96H89-Q93 PolarHBondContact CE1-NE2 3.46Å; H89-Q93 PolarHBondContact ND1-OE1 3.28Å; H89-Q93 WeakPolarHBondContact O-CB 3.25Å; H89-Q93 WeakPolarHBondContact O-CG 3.33Å; H89-Q93 PolarHBondContact O-N 2.58Å; Y91-Q93 VanDerWaalsContact C-N 3.32Å; Y91-Q93 PolarHBondContact O-N 3.3Å; Q93-K95 PolarHBondContact O-N 2.83Å; Q93-S96 PolarHBondContact O-N 3.42Å
94E94Very high93.1Very high128 Ų12839 Ų3960%0.59822%0.215SC*.Hα-helixtrans-55.6-43177-173.9-159.7132.900111.2G90 Y91 S96G90-E94 WeakPolarHBondContact O-CB 3.02Å; G90-E94 PolarHBondContact O-N 3.27Å; Y91-E94 PolarHBondContact O-N 3.43Å; E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.73Å
95K92.6Very high92.7Very high37 Ų3739 Ų3916%0.16122%0.215CC..THydrogen-bonded Turntrans-85.83.5179-58.7-49.4-171.9-157.10113.6E23 C27 R31 Y91 L92 Q93 I97E23-K95 WeakPolarHBondContact OE1-CE 3.4Å; C27-K95 HydrophobicContact CB-CB 4.43Å; R31-K95 PolarHBondContact NE-O 3.47Å; R31-K95 PolarHBondContact NH2-O 2.85Å; Y91-K95 HydrophobicContact CD1-CG 4.38Å; Y91-K95 HydrophobicContact CE1-CG 3.92Å; Y91-K95 HydrophobicContact CE2-CG 4.13Å; Y91-K95 WeakPolarHBondContact O-CG 3.36Å; Y91-K95 PolarHBondContact O-N 2.82Å; L92-K95 CarbonylContact O-C 3.58Å; L92-K95 PolarHBondContact O-N 3.26Å; Q93-K95 PolarHBondContact O-N 2.83Å; K95-I97 HydrophobicContact CB-CD1 3.9Å; K95-I97 HydrophobicContact CB-CG1 4.02Å; K95-I97 PolarHBondContact O-N 2.75Å
96S96Very high92.1Very high85 Ų8538.3 Ų38.359%0.59421%0.212SC*.THydrogen-bonded Turntrans54.533.3-177.2-53.70000114R31 L92 Q93 E94R31-S96 WeakPolarHBondContact CG-O 3.13Å; L92-S96 PolarHBondContact O-N 3.31Å; Q93-S96 PolarHBondContact O-N 3.42Å; E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.73Å
97I96.3Very high91.6Very high7 Ų734.5 Ų34.54%0.03619%0.191CC..  trans-88.4121.7175.7-60.8168.1000108.5C27 L30 R31 F35 L92 K95 I99C27-I97 HydrophobicContact CB-CD1 4.14Å; L30-I97 HydrophobicContact CB-CD1 4.15Å; L30-I97 HydrophobicContact CB-CG1 4.41Å; L30-I97 HydrophobicContact CB-CG2 4.1Å; L30-I97 HydrophobicContact CD1-CD1 4.15Å; R31-I97 HydrophobicContact CG-CG1 3.99Å; F35-I97 HydrophobicContact CE1-CG2 3.77Å; F35-I97 HydrophobicContact CZ-CG2 3.98Å; L92-I97 HydrophobicContact CB-CB 4.42Å; L92-I97 HydrophobicContact CD2-CB 3.83Å; L92-I97 HydrophobicContact CD2-CD1 4.1Å; L92-I97 HydrophobicContact CD2-CG2 3.78Å; L92-I97 PolarHBondContact O-N 3.11Å; K95-I97 HydrophobicContact CB-CD1 3.9Å; K95-I97 HydrophobicContact CB-CG1 4.02Å; K95-I97 PolarHBondContact O-N 2.75Å; I97-I99 PolarHBondContact O-N 2.7Å
98P94.9Very high91Very high51 Ų5135 Ų3533%0.33119%0.193SC..  trans-62.7123.1176.6-21.233.1000111.1T100 N101P98-T100 PolarHBondContact O-N 3.41Å; P98-N101 WeakPolarHBondContact O-CB 3.02Å; P98-N101 PolarHBondContact O-N 3.31Å
99I95.2Very high89.9Confident24 Ų2438.7 Ų38.712%0.12321%0.207CC..G310 helixtrans-60.5-27.9176.3-165.6172.1000111.9F85 L92 I97 N101 I102 L120 Q123 V124F85-I99 HydrophobicContact CE2-CD1 4.31Å; F85-I99 HydrophobicContact CZ-CD1 4.47Å; L92-I99 HydrophobicContact CD1-CB 4.36Å; L92-I99 HydrophobicContact CD1-CG1 4.09Å; I97-I99 PolarHBondContact O-N 2.7Å; I99-N101 PolarHBondContact O-N 2.94Å; I99-I102 HydrophobicContact CG1-CD1 3.87Å; I99-I102 WeakPolarHBondContact O-CB 3.46Å; I99-I102 WeakPolarHBondContact O-CG1 3.47Å; I99-I102 PolarHBondContact O-N 2.98Å; I99-L120 HydrophobicContact CD1-CD1 3.88Å; I99-L120 HydrophobicContact CG1-CD1 4.14Å; I99-Q123 HydrophobicContact CD1-CB 4.05Å; I99-Q123 HydrophobicContact CD1-CG 4.35Å; I99-V124 HydrophobicContact CG1-CG2 4.09Å; I99-V124 HydrophobicContact CG2-CG2 4.29Å
100T90.9Very high89.1Confident94 Ų9437.9 Ų37.958%0.57721%0.208SC*.G310 helixtrans-64.2-1517652.90000113.9P98 I102P98-T100 PolarHBondContact O-N 3.41Å; T100-I102 PolarHBondContact O-N 3.32Å
101N89.1Confident88.3Confident33 Ų3342.6 Ų42.618%0.17623%0.234CC..G310 helixtrans-77-9.6174-70.50.4000112.5L30 R31 P34 F35 P98 I99 L103L30-N101 PolarHBondContact O-ND2 2.9Å; R31-N101 PolarHBondContact O-ND2 3.17Å; P34-N101 CarbonylContact C-O 3.33Å; P34-N101 VanDerWaalsContact CA-O 3.3Å; P34-N101 WeakPolarHBondContact CA-O 3.16Å; F35-N101 HydrophobicContact CD1-CB 4.01Å; F35-N101 HydrophobicContact CE1-CB 3.77Å; F35-N101 PolarHBondContact N-O 3.32Å; P98-N101 WeakPolarHBondContact O-CB 3.02Å; P98-N101 PolarHBondContact O-N 3.31Å; I99-N101 PolarHBondContact O-N 2.94Å; N101-L103 PolarHBondContact O-N 3.27Å
102I87.4Confident87.8Confident2 Ų242.9 Ų42.91%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-75.2108.8174.1-57.7173.7000108.9F35 L37 L92 I99 T100 A104 L120 V127F35-I102 HydrophobicContact CD2-CG1 4.46Å; F35-I102 HydrophobicContact CE1-CG1 4.31Å; F35-I102 HydrophobicContact CE2-CD1 4.41Å; F35-I102 HydrophobicContact CE2-CG1 3.64Å; F35-I102 HydrophobicContact CZ-CD1 4.37Å; F35-I102 HydrophobicContact CZ-CG1 3.55Å; F35-I102 WeakPolarHBondContact O-CA 3.12Å; L37-I102 HydrophobicContact CB-CG2 4.18Å; L37-I102 HydrophobicContact CD2-CD1 4.22Å; L92-I102 HydrophobicContact CD1-CD1 3.91Å; I99-I102 HydrophobicContact CG1-CD1 3.87Å; I99-I102 WeakPolarHBondContact O-CB 3.46Å; I99-I102 WeakPolarHBondContact O-CG1 3.47Å; I99-I102 PolarHBondContact O-N 2.98Å; T100-I102 PolarHBondContact O-N 3.32Å; I102-A104 WeakPolarHBondContact CG2-O 3.49Å; I102-L120 HydrophobicContact CD1-CD1 4.16Å; I102-V127 HydrophobicContact CG2-CG2 3.93Å
103L83.4Confident87.3Confident43 Ų4342.8 Ų42.823%0.22524%0.238CC..EExtended strand (participates in β ladder)trans-86.2-38177.8-70-172.5000112.8P34 F35 N101 L128 L350 L353P34-L103 HydrophobicContact CB-CD1 3.48Å; P34-L103 VanDerWaalsContact CB-CD1 3.48Å; P34-L103 HydrophobicContact CB-CD2 4.24Å; P34-L103 HydrophobicContact CB-CG 3.64Å; P34-L103 HydrophobicContact CG-CD1 4.17Å; F35-L103 PolarHBondContact O-N 3.02Å; N101-L103 PolarHBondContact O-N 3.27Å; L103-L128 PolarHBondContact O-N 3.5Å; L103-L350 HydrophobicContact CB-CD2 3.57Å; L103-L350 HydrophobicContact CD1-CD2 3.76Å; L103-L350 HydrophobicContact CD2-CD2 4.33Å; L103-L350 HydrophobicContact CG-CD2 4.1Å; L103-L353 HydrophobicContact CD1-CD1 4.03Å
104A82.7Confident86.7Confident0 Ų038.8 Ų38.80%023%0.229CC..EExtended strand (participates in β ladder)trans-142.6157.417800000111.2T36 L37 I102 L128 A354T36-A104 VanDerWaalsContact CA-O 3.32Å; T36-A104 WeakPolarHBondContact CA-O 2.69Å; T36-A104 HydrophobicContact CG2-CB 4.04Å; T36-A104 WeakPolarHBondContact CG2-O 3.23Å; L37-A104 PolarHBondContact N-O 3.31Å; I102-A104 WeakPolarHBondContact CG2-O 3.49Å; A104-L128 CarbonylContact C-O 3.44Å; A104-L128 WeakPolarHBondContact CA-O 3.31Å; A104-L128 HydrophobicContact CB-CB 3.91Å; A104-L128 HydrophobicContact CB-CD2 4.42Å; A104-L128 HydrophobicContact CB-CG 4.39Å; A104-L128 WeakPolarHBondContact CB-O 3.37Å; A104-A354 HydrophobicContact CB-CB 3.83Å
105C85.4Confident86.5Confident0 Ų034.2 Ų34.20%022%0.216CC..EExtended strand (participates in β ladder)trans-131.8129.5172.8-170.20000111.6L37 L120 L128 T129 V130L37-C105 CarbonylContact O-C 3.33Å; L37-C105 WeakPolarHBondContact O-CA 3.39Å; L37-C105 PolarHBondContact O-SG 3.01Å; L37-C105 VanDerWaalsContact O-SG 3.41Å; C105-L120 HydrophobicContact CB-CD2 3.76Å; C105-L128 PolarHBondContact N-O 3.2Å; C105-T129 WeakPolarHBondContact O-CA 3.11Å; C105-V130 PolarHBondContact O-N 3.06Å
106T83.6Confident86.5Confident1 Ų132.5 Ų32.51%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-103.9126171.7-50.70000109.8L37 Q38 L39 V130 C132 A354 P356L37-T106 PolarHBondContact O-N 3.47Å; Q38-T106 WeakPolarHBondContact CA-O 3.35Å; Q38-T106 HydrophobicContact CG-CG2 4.38Å; L39-T106 PolarHBondContact N-O 2.89Å; T106-V130 WeakPolarHBondContact CA-O 3.43Å; T106-V130 HydrophobicContact CG2-CG2 4.44Å; T106-C132 HydrophobicContact CG2-CB 3.84Å; T106-A354 PolarHBondContact OG1-O 3.2Å; T106-P356 HydrophobicContact CG2-CG 4.23Å
107I85.4Confident86.3Confident6 Ų629.2 Ų29.23%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-132.7160179.254.1155.8000111.4L39 M113 F116 T117 V130 C132L39-I107 HydrophobicContact CB-CG2 4.39Å; I107-M113 HydrophobicContact CB-CB 3.82Å; I107-M113 HydrophobicContact CB-CG 4.2Å; I107-M113 HydrophobicContact CD1-CB 3.56Å; I107-M113 WeakPolarHBondContact CD1-O 3.4Å; I107-M113 HydrophobicContact CG1-CB 4.27Å; I107-M113 HydrophobicContact CG2-CB 4.21Å; I107-M113 HydrophobicContact CG2-SD 4.36Å; I107-F116 HydrophobicContact CG2-CD1 4.19Å; I107-F116 HydrophobicContact CG2-CE1 4.41Å; I107-T117 HydrophobicContact CD1-CG2 3.41Å; I107-T117 VanDerWaalsContact CD1-CG2 3.41Å; I107-T117 HydrophobicContact CG1-CG2 3.97Å; I107-T117 HydrophobicContact CG2-CG2 4.14Å; I107-V130 PolarHBondContact N-O 3.28Å; I107-C132 WeakPolarHBondContact O-CB 3.36Å; I107-C132 PolarHBondContact O-N 2.97Å
108D79.6Confident86.1Confident16 Ų1631.3 Ų31.39%0.08620%0.203CC..  trans-67.7174.9163.775.719.5000111.5A110 M113D108-A110 VanDerWaalsContact C-N 3.27Å; D108-A110 PolarHBondContact O-N 3.17Å; D108-A110 WeakPolarHBondContact OD1-CA 3.41Å; D108-A110 WeakPolarHBondContact OD1-CB 3.41Å; D108-A110 PolarHBondContact OD1-N 3.12Å; D108-M113 WeakPolarHBondContact OD1-CG 3.46Å
109R73.4Confident86.2Confident80 Ų8030.3 Ų30.330%0.30219%0.194SC..SBendtrans-89.216.8178.7-83.1-178.4176.7-93.33.7112.7H131 R308 D311R109-H131 HydrophobicContact CG-CB 4.2Å; R109-H131 VanDerWaalsContact CG-ND1 3.32Å; R109-H131 WeakPolarHBondContact CG-ND1 3.15Å; R109-H131 PolarHBondContact NE-CD2 3.41Å; R109-H131 PolarHBondContact NH1-NE2 2.96Å; R109-H131 PolarHBondContact NH2-CD2 3.44Å; R109-R308 VanDerWaalsContact NH2-C 3.34Å; R109-R308 PolarHBondContact NH2-O 3.25Å; R109-D311 IonicContact NH2-OD1 2.98Å
110A79.1Confident86.1Confident27 Ų2729.2 Ų29.222%0.22319%0.189CC..  trans-67.1141.7177.700000110.5D108 S112 M113 G114D108-A110 VanDerWaalsContact C-N 3.27Å; D108-A110 PolarHBondContact O-N 3.17Å; D108-A110 WeakPolarHBondContact OD1-CA 3.41Å; D108-A110 WeakPolarHBondContact OD1-CB 3.41Å; D108-A110 PolarHBondContact OD1-N 3.12Å; A110-S112 WeakPolarHBondContact CB-OG 3.49Å; A110-S112 PolarHBondContact O-N 2.7Å; A110-S112 VanDerWaalsContact O-N 3.14Å; A110-M113 HydrophobicContact CB-CG 4.38Å; A110-M113 PolarHBondContact O-N 3.02Å; A110-G114 PolarHBondContact O-N 3.12Å
111P79.4Confident86.2Confident124 Ų12429 Ų2981%0.80518%0.18SC*.Hα-helixtrans-54.9-33.7178.2-27.334.9000113.4G114 G115P111-G114 PolarHBondContact O-N 3.34Å; P111-G115 PolarHBondContact O-N 3.17Å; P111-G115 VanDerWaalsContact O-N 3.1Å
112S82.7Confident86.5Confident20 Ų2033.9 Ų33.914%0.1420%0.202CC..Hα-helixtrans-57-48173.944.50000112.9T79 G81 A110 G114 G115 F116T79-S112 WeakPolarHBondContact O-CB 3.22Å; G81-S112 WeakPolarHBondContact CA-O 3.33Å; G81-S112 PolarHBondContact N-O 3.11Å; A110-S112 WeakPolarHBondContact CB-OG 3.49Å; A110-S112 PolarHBondContact O-N 2.7Å; A110-S112 VanDerWaalsContact O-N 3.14Å; S112-G114 VanDerWaalsContact C-N 3.3Å; S112-G114 PolarHBondContact O-N 3.19Å; S112-G115 PolarHBondContact O-N 3.36Å; S112-G115 VanDerWaalsContact O-N 3.16Å; S112-F116 PolarHBondContact O-N 3.47Å
113M85.2Confident86.9Confident0 Ų038.6 Ų38.60%022%0.224CC..Hα-helixtrans-67.9-31.2177.9-63.3-60.2-173.300112.3L39 E41 L51 I84 I107 D108 A110 F116 T117L39-M113 HydrophobicContact CB-CE 4.31Å; L39-M113 HydrophobicContact CB-SD 4.35Å; E41-M113 HydrophobicContact CB-CE 3.79Å; L51-M113 HydrophobicContact CD1-CE 4.25Å; I84-M113 HydrophobicContact CD1-CE 4.36Å; I84-M113 HydrophobicContact CD1-SD 3.87Å; I84-M113 HydrophobicContact CG2-SD 4.34Å; I107-M113 HydrophobicContact CB-CB 3.82Å; I107-M113 HydrophobicContact CB-CG 4.2Å; I107-M113 HydrophobicContact CD1-CB 3.56Å; I107-M113 WeakPolarHBondContact CD1-O 3.4Å; I107-M113 HydrophobicContact CG1-CB 4.27Å; I107-M113 HydrophobicContact CG2-CB 4.21Å; I107-M113 HydrophobicContact CG2-SD 4.36Å; D108-M113 WeakPolarHBondContact OD1-CG 3.46Å; A110-M113 HydrophobicContact CB-CG 4.38Å; A110-M113 PolarHBondContact O-N 3.02Å; M113-F116 WeakPolarHBondContact O-CB 3.45Å; M113-F116 PolarHBondContact O-N 2.76Å; M113-T117 PolarHBondContact O-N 2.84Å; M113-T117 PolarHBondContact O-OG1 2.93Å
114G84.7Confident87.2Confident37 Ų3737.2 Ų37.238%0.38122%0.217SC..Hα-helixtrans-58.1-45.9168.800000112.2A110 P111 S112 F116 T117 A118A110-G114 PolarHBondContact O-N 3.12Å; P111-G114 PolarHBondContact O-N 3.34Å; S112-G114 VanDerWaalsContact C-N 3.3Å; S112-G114 PolarHBondContact O-N 3.19Å; G114-F116 PolarHBondContact O-N 3.43Å; G114-T117 PolarHBondContact O-N 2.9Å; G114-T117 PolarHBondContact O-OG1 3.25Å; G114-A118 PolarHBondContact O-N 3.04Å
115G89.4Confident87.4Confident31 Ų3142.4 Ų42.432%0.3225%0.251SS..Hα-helixtrans-62.9-38.9173.800000113.3P111 S112 L119P111-G115 PolarHBondContact O-N 3.17Å; P111-G115 VanDerWaalsContact O-N 3.1Å; S112-G115 PolarHBondContact O-N 3.36Å; S112-G115 VanDerWaalsContact O-N 3.16Å; G115-L119 WeakPolarHBondContact O-CG 3.27Å; G115-L119 PolarHBondContact O-N 3.35Å
116F93.3Very high87.1Confident1 Ų152 Ų520%0.00429%0.293CS..Hα-helixtrans-61.3-46.5174.9164-98.2000112L37 L39 I84 F85 V88 I107 S112 M113 G114 A118 L119 L120L37-F116 HydrophobicContact CD2-CZ 4.14Å; L39-F116 HydrophobicContact CD1-CD1 3.78Å; L39-F116 HydrophobicContact CD1-CD2 4.33Å; L39-F116 HydrophobicContact CD1-CE1 3.39Å; L39-F116 HydrophobicContact CD1-CE2 3.98Å; L39-F116 HydrophobicContact CD1-CG 4.25Å; L39-F116 HydrophobicContact CD1-CZ 3.5Å; L39-F116 VanDerWaalsContact CD1-CZ 3.5Å; I84-F116 HydrophobicContact CB-CB 4.35Å; I84-F116 HydrophobicContact CB-CD2 4.4Å; I84-F116 HydrophobicContact CG2-CB 4.06Å; I84-F116 HydrophobicContact CG2-CD2 3.74Å; I84-F116 HydrophobicContact CG2-CE2 4.42Å; I84-F116 HydrophobicContact CG2-CG 3.91Å; F85-F116 HydrophobicContact CB-CD2 3.83Å; F85-F116 HydrophobicContact CB-CE2 4.36Å; F85-F116 HydrophobicContact CD2-CD2 4.16Å; F85-F116 HydrophobicContact CD2-CE2 4.07Å; V88-F116 HydrophobicContact CB-CE2 4.1Å; V88-F116 HydrophobicContact CG1-CE2 4.38Å; V88-F116 HydrophobicContact CG1-CZ 4.5Å; V88-F116 HydrophobicContact CG2-CE2 3.96Å; V88-F116 HydrophobicContact CG2-CZ 4.36Å; I107-F116 HydrophobicContact CG2-CD1 4.19Å; I107-F116 HydrophobicContact CG2-CE1 4.41Å; S112-F116 PolarHBondContact O-N 3.47Å; M113-F116 WeakPolarHBondContact O-CB 3.45Å; M113-F116 PolarHBondContact O-N 2.76Å; G114-F116 PolarHBondContact O-N 3.43Å; F116-A118 VanDerWaalsContact C-N 3.33Å; F116-A118 PolarHBondContact O-N 2.91Å; F116-L119 PolarHBondContact O-N 3.02Å; F116-L120 HydrophobicContact CE1-CB 4.44Å; F116-L120 HydrophobicContact CE1-CD2 3.94Å; F116-L120 HydrophobicContact CZ-CB 4.32Å; F116-L120 HydrophobicContact CZ-CD2 3.96Å; F116-L120 PolarHBondContact O-N 3.28Å
117T90.7Very high87.1Confident17 Ų1752.4 Ų52.410%0.10430%0.295CS..Hα-helixtrans-67-32.1-178.1480000113.3I107 M113 G114 L120 K121 T129I107-T117 HydrophobicContact CD1-CG2 3.41Å; I107-T117 VanDerWaalsContact CD1-CG2 3.41Å; I107-T117 HydrophobicContact CG1-CG2 3.97Å; I107-T117 HydrophobicContact CG2-CG2 4.14Å; M113-T117 PolarHBondContact O-N 2.84Å; M113-T117 PolarHBondContact O-OG1 2.93Å; G114-T117 PolarHBondContact O-N 2.9Å; G114-T117 PolarHBondContact O-OG1 3.25Å; T117-L120 PolarHBondContact O-N 3.3Å; T117-K121 WeakPolarHBondContact O-CB 3.48Å; T117-K121 WeakPolarHBondContact O-CG 3.47Å; T117-K121 PolarHBondContact O-N 3.27Å; T117-T129 HydrophobicContact CG2-CG2 3.78Å
118A93Very high86.8Confident50 Ų5054.2 Ų54.241%0.41330%0.304SS..Hα-helixtrans-60.1-50.6171.500000111.2G114 F116 L120 K121 E122G114-A118 PolarHBondContact O-N 3.04Å; F116-A118 VanDerWaalsContact C-N 3.33Å; F116-A118 PolarHBondContact O-N 2.91Å; A118-L120 VanDerWaalsContact C-N 3.34Å; A118-L120 PolarHBondContact O-N 2.91Å; A118-K121 WeakPolarHBondContact O-CB 3.41Å; A118-K121 PolarHBondContact O-N 3.04Å; A118-E122 PolarHBondContact O-N 3.09Å; A118-E122 VanDerWaalsContact O-N 3.12Å
119L96.1Very high87Confident30 Ų3055 Ų5516%0.15731%0.31CS..Hα-helixtrans-63.9-37.8177.6-64.4169.4000112.5Q82 F85 G115 F116 K121 E122 Q123Q82-L119 HydrophobicContact CB-CD1 4.27Å; F85-L119 HydrophobicContact CB-CB 4.24Å; F85-L119 HydrophobicContact CB-CD1 3.71Å; F85-L119 HydrophobicContact CD1-CB 4.43Å; F85-L119 HydrophobicContact CD1-CD1 4.43Å; F85-L119 HydrophobicContact CD2-CB 3.65Å; F85-L119 HydrophobicContact CE2-CB 4.13Å; F85-L119 HydrophobicContact CG-CB 3.83Å; F85-L119 HydrophobicContact CG-CD1 4.01Å; G115-L119 WeakPolarHBondContact O-CG 3.27Å; G115-L119 PolarHBondContact O-N 3.35Å; F116-L119 PolarHBondContact O-N 3.02Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 2.69Å; L119-E122 WeakPolarHBondContact O-CB 3.16Å; L119-E122 PolarHBondContact O-N 3.45Å; L119-Q123 PolarHBondContact O-N 3.26Å
120L94Very high87.2Confident1 Ų151.4 Ų51.41%0.00530%0.297CS..Hα-helixtrans-63.5-40175.2-176.563000111.5I99 I102 C105 F116 T117 A118 E122 Q123 V124 V127I99-L120 HydrophobicContact CD1-CD1 3.88Å; I99-L120 HydrophobicContact CG1-CD1 4.14Å; I102-L120 HydrophobicContact CD1-CD1 4.16Å; C105-L120 HydrophobicContact CB-CD2 3.76Å; F116-L120 HydrophobicContact CE1-CB 4.44Å; F116-L120 HydrophobicContact CE1-CD2 3.94Å; F116-L120 HydrophobicContact CZ-CB 4.32Å; F116-L120 HydrophobicContact CZ-CD2 3.96Å; F116-L120 PolarHBondContact O-N 3.28Å; T117-L120 PolarHBondContact O-N 3.3Å; A118-L120 VanDerWaalsContact C-N 3.34Å; A118-L120 PolarHBondContact O-N 2.91Å; L120-E122 VanDerWaalsContact C-N 3.31Å; L120-E122 PolarHBondContact O-N 3.36Å; L120-Q123 PolarHBondContact O-N 3.33Å; L120-V124 PolarHBondContact O-N 2.76Å; L120-V127 HydrophobicContact CD2-CG1 4.35Å; L120-V127 HydrophobicContact CD2-CG2 4.09Å; L120-V127 HydrophobicContact CG-CG1 4.16Å
121K92.8Very high87.2Confident91 Ų9152.4 Ų52.440%0.39630%0.297SS..Hα-helixtrans-67-29.5176-78.4177.2178.4176.30112.8T117 A118 L119 Q123 V124 P125 V127 T129T117-K121 WeakPolarHBondContact O-CB 3.48Å; T117-K121 WeakPolarHBondContact O-CG 3.47Å; T117-K121 PolarHBondContact O-N 3.27Å; A118-K121 WeakPolarHBondContact O-CB 3.41Å; A118-K121 PolarHBondContact O-N 3.04Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 2.69Å; K121-Q123 VanDerWaalsContact C-N 3.32Å; K121-V124 CarbonylContact O-C 3.35Å; K121-P125 WeakPolarHBondContact O-CA 3.32Å; K121-P125 VanDerWaalsContact O-N 3.13Å; K121-V127 HydrophobicContact CG-CG1 3.65Å; K121-T129 VanDerWaalsContact CE-OG1 3.25Å; K121-T129 WeakPolarHBondContact CE-OG1 3.46Å; K121-T129 PolarHBondContact NZ-OG1 3.36Å
122E96.1Very high87.1Confident135 Ų13546.9 Ų46.963%0.63126%0.261SS*.Hα-helixtrans-63.9-39.4172.4-68.5172.1-168.900111.7A118 L119 L120A118-E122 PolarHBondContact O-N 3.09Å; A118-E122 VanDerWaalsContact O-N 3.12Å; L119-E122 WeakPolarHBondContact O-CB 3.16Å; L119-E122 PolarHBondContact O-N 3.45Å; L120-E122 VanDerWaalsContact C-N 3.31Å; L120-E122 PolarHBondContact O-N 3.36Å
123Q94.6Very high86.7Confident100 Ų10046.9 Ų46.947%0.46726%0.259SS..Hα-helixtrans-81.8-33177.9-59.9-56.2-55.800113.4F85 I99 L119 L120 K121F85-Q123 HydrophobicContact CE2-CG 4.14Å; F85-Q123 HydrophobicContact CZ-CG 3.71Å; I99-Q123 HydrophobicContact CD1-CB 4.05Å; I99-Q123 HydrophobicContact CD1-CG 4.35Å; L119-Q123 PolarHBondContact O-N 3.26Å; L120-Q123 PolarHBondContact O-N 3.33Å; K121-Q123 VanDerWaalsContact C-N 3.32Å
124V90.1Very high86Confident14 Ų1447.7 Ų47.79%0.08526%0.263CS..  trans-133.181.1-178.2-169.40000109I99 L120 K121 K126 V127I99-V124 HydrophobicContact CG1-CG2 4.09Å; I99-V124 HydrophobicContact CG2-CG2 4.29Å; L120-V124 PolarHBondContact O-N 2.76Å; K121-V124 CarbonylContact O-C 3.35Å; V124-K126 PolarHBondContact O-N 2.9Å; V124-V127 HydrophobicContact CB-CB 4.1Å; V124-V127 HydrophobicContact CB-CG1 4.45Å; V124-V127 HydrophobicContact CG1-CB 3.92Å; V124-V127 WeakPolarHBondContact O-CB 3.48Å; V124-V127 WeakPolarHBondContact O-CG1 3.48Å; V124-V127 PolarHBondContact O-N 3.44Å
125P86.3Confident85.5Confident109 Ų10948.6 Ų48.671%0.70826%0.257SS*.THydrogen-bonded Turntrans-58.5-26-172.8-28.736.3000115.4K121K121-P125 WeakPolarHBondContact O-CA 3.32Å; K121-P125 VanDerWaalsContact O-N 3.13Å
126K80.8Confident84.9Confident203 Ų20347.2 Ų47.288%0.88324%0.243SC*.THydrogen-bonded Turntrans-91.32.6-179.4-62.9-175.6180179.60113.8V124 L128V124-K126 PolarHBondContact O-N 2.9Å; K126-L128 PolarHBondContact O-N 2.88Å
127V82.8Confident83.9Confident8 Ų847.2 Ų47.25%0.04824%0.242CC..  trans-64.4127.9-178.970.50000110.6I102 L120 K121 V124 T129I102-V127 HydrophobicContact CG2-CG2 3.93Å; L120-V127 HydrophobicContact CD2-CG1 4.35Å; L120-V127 HydrophobicContact CD2-CG2 4.09Å; L120-V127 HydrophobicContact CG-CG1 4.16Å; K121-V127 HydrophobicContact CG-CG1 3.65Å; V124-V127 HydrophobicContact CB-CB 4.1Å; V124-V127 HydrophobicContact CB-CG1 4.45Å; V124-V127 HydrophobicContact CG1-CB 3.92Å; V124-V127 WeakPolarHBondContact O-CB 3.48Å; V124-V127 WeakPolarHBondContact O-CG1 3.48Å; V124-V127 PolarHBondContact O-N 3.44Å; V127-T129 HydrophobicContact CG1-CG2 4.24Å
128L79.9Confident83.2Confident44 Ų4448 Ų4823%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-78.1123173.2176.163.9000109.3L103 A104 C105 K126 V130 L351 A354L103-L128 PolarHBondContact O-N 3.5Å; A104-L128 CarbonylContact C-O 3.44Å; A104-L128 WeakPolarHBondContact CA-O 3.31Å; A104-L128 HydrophobicContact CB-CB 3.91Å; A104-L128 HydrophobicContact CB-CD2 4.42Å; A104-L128 HydrophobicContact CB-CG 4.39Å; A104-L128 WeakPolarHBondContact CB-O 3.37Å; C105-L128 PolarHBondContact N-O 3.2Å; K126-L128 PolarHBondContact O-N 2.88Å; L128-V130 HydrophobicContact CD1-CG1 4.28Å; L128-V130 HydrophobicContact CD2-CG1 4.33Å; L128-V130 HydrophobicContact CG-CG1 4.08Å; L128-L351 HydrophobicContact CD2-CD2 4.15Å; L128-A354 HydrophobicContact CD2-CB 4.12Å
129T81.9Confident82.4Confident34 Ų3447 Ų4721%0.20923%0.234CC..EExtended strand (participates in β ladder)trans-110.7121.6175.856.10000109.5C105 T117 K121 V127C105-T129 WeakPolarHBondContact O-CA 3.11Å; T117-T129 HydrophobicContact CG2-CG2 3.78Å; K121-T129 VanDerWaalsContact CE-OG1 3.25Å; K121-T129 WeakPolarHBondContact CE-OG1 3.46Å; K121-T129 PolarHBondContact NZ-OG1 3.36Å; V127-T129 HydrophobicContact CG1-CG2 4.24Å
130V77.6Confident81.5Confident4 Ų445.7 Ų45.72%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-124.5150.7177.6-64.50000110.5C105 T106 I107 L128 L312 A354 F355C105-V130 PolarHBondContact O-N 3.06Å; T106-V130 WeakPolarHBondContact CA-O 3.43Å; T106-V130 HydrophobicContact CG2-CG2 4.44Å; I107-V130 PolarHBondContact N-O 3.28Å; L128-V130 HydrophobicContact CD1-CG1 4.28Å; L128-V130 HydrophobicContact CD2-CG1 4.33Å; L128-V130 HydrophobicContact CG-CG1 4.08Å; V130-L312 HydrophobicContact CG1-CD2 4.37Å; V130-A354 HydrophobicContact CG2-CB 3.91Å; V130-F355 HydrophobicContact CG2-CE1 4.39Å
131H79.4Confident80.6Confident47 Ų4745.8 Ų45.822%0.21823%0.228CC..EExtended strand (participates in β ladder)trans-76.4144.5171.6-66.1-58.5000111.7R109 I133 D311R109-H131 HydrophobicContact CG-CB 4.2Å; R109-H131 VanDerWaalsContact CG-ND1 3.32Å; R109-H131 WeakPolarHBondContact CG-ND1 3.15Å; R109-H131 PolarHBondContact NE-CD2 3.41Å; R109-H131 PolarHBondContact NH1-NE2 2.96Å; R109-H131 PolarHBondContact NH2-CD2 3.44Å; H131-I133 PolarHBondContact O-N 2.83Å; H131-D311 IonicContact CD2-OD1 3.44Å; H131-D311 IonicContact CD2-OD2 2.74Å; H131-D311 PolarHBondContact CD2-OD2 3.18Å; H131-D311 VanDerWaalsContact CD2-OD2 3.27Å; H131-D311 IonicContact CG-OD2 3.36Å; H131-D311 PolarHBondContact N-OD2 2.85Å
132C77.4Confident79.7Confident8 Ų846.5 Ų46.55%0.05423%0.231CC..  trans-59.4114.7174.9177.80000109.9T106 I107 Q134 H135 C136T106-C132 HydrophobicContact CG2-CB 3.84Å; I107-C132 WeakPolarHBondContact O-CB 3.36Å; I107-C132 PolarHBondContact O-N 2.97Å; C132-Q134 PolarHBondContact O-N 3.34Å; C132-H135 HydrophobicContact CB-CB 3.86Å; C132-H135 PolarHBondContact O-N 3.17Å; C132-H135 VanDerWaalsContact O-N 3.15Å; C132-C136 PolarHBondContact O-N 3.23Å; C132-C136 PolarHBondContact O-SG 3.15Å
133I74.1Confident78.2Confident20 Ų2040.4 Ų40.410%0.10320%0.203CC..Hα-helixtrans-53.1-44.6179.2-72.1-177.2000110.8H131 C136 H137 L242 Y271 F309 L312 F355H131-I133 PolarHBondContact O-N 2.83Å; I133-C136 PolarHBondContact O-N 2.95Å; I133-H137 WeakPolarHBondContact O-CB 3.46Å; I133-H137 PolarHBondContact O-CD2 2.8Å; I133-H137 VanDerWaalsContact O-CD2 3.3Å; I133-H137 PolarHBondContact O-N 3Å; I133-L242 HydrophobicContact CG2-CD1 3.97Å; I133-Y271 VanDerWaalsContact CG2-OH 3.29Å; I133-Y271 WeakPolarHBondContact CG2-OH 3.21Å; I133-F309 HydrophobicContact CB-CE1 4.4Å; I133-F309 HydrophobicContact CG1-CE1 4.27Å; I133-F309 HydrophobicContact CG2-CE1 4.21Å; I133-L312 HydrophobicContact CD1-CD1 4.37Å; I133-L312 HydrophobicContact CG1-CD1 4.33Å; I133-F355 HydrophobicContact CD1-CD1 3.21Å; I133-F355 HydrophobicContact CD1-CE1 3.42Å; I133-F355 VanDerWaalsContact CD1-CE1 3.42Å; I133-F355 HydrophobicContact CD1-CG 3.89Å; I133-F355 HydrophobicContact CD1-CZ 4.23Å; I133-F355 HydrophobicContact CG1-CD1 3.75Å; I133-F355 HydrophobicContact CG1-CE1 3.8Å
134Q72.1Confident76.9Confident18 Ų1841 Ų418%0.08420%0.204CC..Hα-helixtrans-68.4-38.5-177.3-69.6159.960.400112.6C132 C136 H137 N138 T358 V361C132-Q134 PolarHBondContact O-N 3.34Å; Q134-C136 VanDerWaalsContact C-N 3.34Å; Q134-H137 PolarHBondContact O-N 2.82Å; Q134-N138 VanDerWaalsContact O-CB 3.25Å; Q134-N138 WeakPolarHBondContact O-CB 3.34Å; Q134-N138 PolarHBondContact O-N 2.78Å; Q134-T358 HydrophobicContact CG-CG2 3.46Å; Q134-T358 VanDerWaalsContact CG-CG2 3.46Å; Q134-T358 VanDerWaalsContact OE1-CA 3.32Å; Q134-V361 VanDerWaalsContact OE1-CB 3.24Å
135H73.9Confident75.9Confident56 Ų5641.3 Ų41.326%0.25921%0.206SC..Hα-helixtrans-65.8-42.9174.8-168.595.1000109.9C132 N138 L139C132-H135 HydrophobicContact CB-CB 3.86Å; C132-H135 PolarHBondContact O-N 3.17Å; C132-H135 VanDerWaalsContact O-N 3.15Å; H135-N138 PolarHBondContact O-N 3.37Å; H135-L139 VanDerWaalsContact CD2-CD1 3.44Å; H135-L139 WeakPolarHBondContact CD2-CD1 3.47Å; H135-L139 WeakPolarHBondContact NE2-CD1 3.29Å; H135-L139 VanDerWaalsContact O-CG 3.29Å; H135-L139 WeakPolarHBondContact O-CG 3.3Å; H135-L139 PolarHBondContact O-N 3.35Å
136C76.3Confident74.7Confident2 Ų240.4 Ų40.41%0.01420%0.199CC..Hα-helixtrans-59.8-48.7175-65.70000111.7C132 I133 Q134 N138 L139 V140 R308 F309C132-C136 PolarHBondContact O-N 3.23Å; C132-C136 PolarHBondContact O-SG 3.15Å; I133-C136 PolarHBondContact O-N 2.95Å; Q134-C136 VanDerWaalsContact C-N 3.34Å; C136-N138 PolarHBondContact O-N 3.34Å; C136-L139 PolarHBondContact O-N 2.85Å; C136-L139 VanDerWaalsContact O-N 3.15Å; C136-V140 WeakPolarHBondContact O-CG2 3.39Å; C136-V140 PolarHBondContact O-N 2.86Å; C136-R308 HydrophobicContact CB-CB 4.24Å; C136-F309 HydrophobicContact CB-CD1 4.48Å; C136-F309 HydrophobicContact CB-CE1 3.72Å; C136-F309 HydrophobicContact CB-CE2 3.94Å; C136-F309 HydrophobicContact CB-CZ 3.39Å
137H73.1Confident74Confident0 Ų032.2 Ų32.20%017%0.17CC..Hα-helixtrans-57.1-47.4173.5-93.4-93.2000112.6I133 Q134 L139 V140 A141 M235 I239 Y271 F309I133-H137 WeakPolarHBondContact O-CB 3.46Å; I133-H137 PolarHBondContact O-CD2 2.8Å; I133-H137 VanDerWaalsContact O-CD2 3.3Å; I133-H137 PolarHBondContact O-N 3Å; Q134-H137 PolarHBondContact O-N 2.82Å; H137-L139 PolarHBondContact O-N 3.32Å; H137-V140 PolarHBondContact O-N 3.43Å; H137-A141 VanDerWaalsContact O-CB 3.27Å; H137-A141 WeakPolarHBondContact O-CB 3.44Å; H137-A141 PolarHBondContact O-N 2.84Å; H137-M235 VanDerWaalsContact ND1-CE 3.33Å; H137-M235 WeakPolarHBondContact ND1-CE 3.24Å; H137-I239 HydrophobicContact CB-CD1 3.55Å; H137-Y271 PolarHBondContact CD2-OH 3.23Å; H137-Y271 VanDerWaalsContact CD2-OH 3.3Å; H137-Y271 AromaticContact CE1-CE1 3.95Å; H137-Y271 AromaticContact NE2-CE1 3.36Å; H137-Y271 WeakPolarHBondContact NE2-CE1 3.43Å; H137-Y271 AromaticContact NE2-CZ 3.43Å; H137-Y271 PolarHBondContact NE2-OH 2.9Å; H137-F309 AromaticContact CD2-CZ 3.5Å; H137-F309 AromaticContact NE2-CZ 3.95Å
138N74.8Confident72.9Confident35 Ų3531.8 Ų31.819%0.18717%0.167CC..Hα-helixtrans-61.8-32.8178.3-177.462.2000112Q134 H135 C136 K142 W192Q134-N138 VanDerWaalsContact O-CB 3.25Å; Q134-N138 WeakPolarHBondContact O-CB 3.34Å; Q134-N138 PolarHBondContact O-N 2.78Å; H135-N138 PolarHBondContact O-N 3.37Å; C136-N138 PolarHBondContact O-N 3.34Å; N138-K142 WeakPolarHBondContact O-CG 3.23Å; N138-K142 PolarHBondContact O-N 2.98Å; N138-W192 HydrophobicContact CB-CG 4.42Å; N138-W192 VanDerWaalsContact OD1-CD1 3.22Å; N138-W192 PolarHBondContact OD1-N 3.47Å
139L76.9Confident72.2Confident28 Ų2833.4 Ų33.415%0.14718%0.176CC..Hα-helixtrans-73.5-40174.8-69.7177.6000112.3H135 C136 H137 A141 K142H135-L139 VanDerWaalsContact CD2-CD1 3.44Å; H135-L139 WeakPolarHBondContact CD2-CD1 3.47Å; H135-L139 WeakPolarHBondContact NE2-CD1 3.29Å; H135-L139 VanDerWaalsContact O-CG 3.29Å; H135-L139 WeakPolarHBondContact O-CG 3.3Å; H135-L139 PolarHBondContact O-N 3.35Å; C136-L139 PolarHBondContact O-N 2.85Å; C136-L139 VanDerWaalsContact O-N 3.15Å; H137-L139 PolarHBondContact O-N 3.32Å; L139-A141 VanDerWaalsContact C-N 3.33Å; L139-K142 HydrophobicContact CD2-CD 4.31Å; L139-K142 WeakPolarHBondContact O-CB 3.27Å; L139-K142 PolarHBondContact O-N 2.78Å
140V77.6Confident71.2Confident3 Ų338.6 Ų38.62%0.01820%0.198CC..Hα-helixtrans-63-42.1173.6172.90000111.1C136 H137 K142 M235 V301 D304 L305C136-V140 WeakPolarHBondContact O-CG2 3.39Å; C136-V140 PolarHBondContact O-N 2.86Å; H137-V140 PolarHBondContact O-N 3.43Å; V140-K142 PolarHBondContact O-N 2.76Å; V140-K142 VanDerWaalsContact O-N 3.16Å; V140-M235 HydrophobicContact CB-CE 4.41Å; V140-M235 HydrophobicContact CG1-CE 4.05Å; V140-V301 HydrophobicContact CG1-CG1 3.73Å; V140-D304 HydrophobicContact CG2-CB 4.36Å; V140-L305 HydrophobicContact CB-CD2 4.38Å; V140-L305 HydrophobicContact CG1-CD2 3.94Å; V140-L305 HydrophobicContact CG1-CG 3.81Å; V140-L305 HydrophobicContact CG2-CD2 3.91Å; V140-L305 HydrophobicContact CG2-CG 4.14Å
141A73.7Confident70.4Confident2 Ų239.1 Ų39.12%0.01720%0.202CC..THydrogen-bonded Turntrans-70.8-7.3-178.200000113.6H137 L139 C143 W192 F232H137-A141 VanDerWaalsContact O-CB 3.27Å; H137-A141 WeakPolarHBondContact O-CB 3.44Å; H137-A141 PolarHBondContact O-N 2.84Å; L139-A141 VanDerWaalsContact C-N 3.33Å; A141-C143 PolarHBondContact O-N 2.74Å; A141-C143 VanDerWaalsContact O-N 3.14Å; A141-W192 HydrophobicContact CB-CB 3.74Å; A141-W192 HydrophobicContact CB-CD2 4.3Å; A141-W192 HydrophobicContact CB-CE3 4.31Å; A141-W192 HydrophobicContact CB-CG 4.06Å; A141-F232 HydrophobicContact CB-CE1 4.03Å
142K74Confident69.4Low106 Ų10637.6 Ų37.646%0.46120%0.195SC..SBendtrans-73.5103.3168.5-73175.7-178.1-177.80108N138 L139 V140 K144N138-K142 WeakPolarHBondContact O-CG 3.23Å; N138-K142 PolarHBondContact O-N 2.98Å; L139-K142 HydrophobicContact CD2-CD 4.31Å; L139-K142 WeakPolarHBondContact O-CB 3.27Å; L139-K142 PolarHBondContact O-N 2.78Å; V140-K142 PolarHBondContact O-N 2.76Å; V140-K142 VanDerWaalsContact O-N 3.16Å; K142-K144 PolarHBondContact O-N 2.71Å; K142-K144 VanDerWaalsContact O-N 3.1Å
143C65.6Low68.3Low8 Ų839.5 Ų39.55%0.05421%0.209CC..  trans-59.3113.1176.3-165.20000110.1A141 N149 L152 H297A141-C143 PolarHBondContact O-N 2.74Å; A141-C143 VanDerWaalsContact O-N 3.14Å; C143-N149 HydrophobicContact CB-CB 4.23Å; C143-L152 HydrophobicContact CB-CD1 3.87Å; C143-H297 VanDerWaalsContact SG-CD2 3.59Å; C143-H297 PolarHBondContact SG-NE2 3.42Å
144K67.6Low67.4Low111 Ų11138.6 Ų38.648%0.48320%0.204SC..  trans-93.2-14.7-180-66.8176.9-172.9165.60113K142 M300 D304K142-K144 PolarHBondContact O-N 2.71Å; K142-K144 VanDerWaalsContact O-N 3.1Å; K144-M300 HydrophobicContact CB-CE 3.88Å; K144-D304 IonicContact NZ-OD1 3.89Å; K144-D304 PolarHBondContact NZ-OD1 3.36Å; K144-D304 IonicContact NZ-OD2 3.23Å; K144-D304 PolarHBondContact NZ-OD2 2.85Å
145N67.5Low66.6Low22 Ų2238.4 Ų38.412%0.11820%0.204CC..SBendtrans-79.2124.2177.2-174-31.4000109.1A147 P148 N149 H297 M300N145-A147 VanDerWaalsContact C-N 3.33Å; N145-A147 PolarHBondContact O-N 3.16Å; N145-A147 PolarHBondContact OD1-N 2.78Å; N145-P148 HydrophobicContact CB-CG 3.92Å; N145-N149 WeakPolarHBondContact O-CB 3.27Å; N145-N149 PolarHBondContact O-N 2.8Å; N145-N149 VanDerWaalsContact O-N 3.14Å; N145-H297 HydrophobicContact CB-CB 4.34Å; N145-M300 HydrophobicContact CB-SD 4.27Å
146P62.5Low65.9Low89 Ų8942.6 Ų42.658%0.57822%0.222SC*.Hα-helixtrans-54.8-41.3-176.4-25.833.6000114.3N149 E150P146-N149 CarbonylContact O-C 3.59Å; P146-N149 PolarHBondContact O-N 2.9Å; P146-E150 WeakPolarHBondContact O-CG 3.04Å; P146-E150 PolarHBondContact O-N 2.87Å
147A64.8Low65.2Low31 Ų3143 Ų4326%0.25622%0.224SC..Hα-helixtrans-63.8-60.7-173.400000113N145 N149 E150 S151 I293N145-A147 VanDerWaalsContact C-N 3.33Å; N145-A147 PolarHBondContact O-N 3.16Å; N145-A147 PolarHBondContact OD1-N 2.78Å; A147-N149 PolarHBondContact O-N 3.19Å; A147-E150 WeakPolarHBondContact O-CB 3.1Å; A147-E150 PolarHBondContact O-N 3.33Å; A147-E150 VanDerWaalsContact O-N 3.15Å; A147-S151 PolarHBondContact O-N 3.3Å; A147-I293 HydrophobicContact CB-CD1 4.17Å; A147-I293 HydrophobicContact CB-CG2 3.79Å
148P60.8Low64.6Low0 Ų043.1 Ų43.10%023%0.225CC..Hα-helixtrans-66-24.4174.620.5-27.8000113N145 S151 L152 L228 I293 H297N145-P148 HydrophobicContact CB-CG 3.92Å; P148-S151 PolarHBondContact O-N 3.38Å; P148-L152 PolarHBondContact O-N 3.25Å; P148-L152 VanDerWaalsContact O-N 3.13Å; P148-L228 HydrophobicContact CB-CD1 4.5Å; P148-L228 HydrophobicContact CB-CD2 4.22Å; P148-L228 WeakPolarHBondContact O-CD1 3.47Å; P148-I293 HydrophobicContact CG-CG2 4.42Å; P148-H297 HydrophobicContact CG-CB 4.43Å
149N64.8Low63.8Low77 Ų7743.8 Ų43.841%0.41223%0.228SC..Hα-helixtrans-72.5-28.6174.9-16939.7000112.8C143 N145 P146 A147 S151 L152C143-N149 HydrophobicContact CB-CB 4.23Å; N145-N149 WeakPolarHBondContact O-CB 3.27Å; N145-N149 PolarHBondContact O-N 2.8Å; N145-N149 VanDerWaalsContact O-N 3.14Å; P146-N149 CarbonylContact O-C 3.59Å; P146-N149 PolarHBondContact O-N 2.9Å; A147-N149 PolarHBondContact O-N 3.19Å; N149-S151 VanDerWaalsContact C-N 3.33Å; N149-L152 WeakPolarHBondContact O-CB 3.32Å; N149-L152 PolarHBondContact O-N 2.97Å; N149-L152 WeakPolarHBondContact OD1-CD1 3.23Å
150E61.1Low63Low143 Ų14348.9 Ų48.967%0.66825%0.249SC*.Hα-helixtrans-67.2-36.6169-79.6-179.7-175.900111.1P146 A147 L152 S153P146-E150 WeakPolarHBondContact O-CG 3.04Å; P146-E150 PolarHBondContact O-N 2.87Å; A147-E150 WeakPolarHBondContact O-CB 3.1Å; A147-E150 PolarHBondContact O-N 3.33Å; A147-E150 VanDerWaalsContact O-N 3.15Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 3.28Å; E150-S153 WeakPolarHBondContact O-CA 3.32Å; E150-S153 WeakPolarHBondContact O-CB 3.28Å; E150-S153 PolarHBondContact O-N 3.28Å; E150-S153 PolarHBondContact O-OG 3.31Å
151S60.3Low62.3Low15 Ų1549 Ų4911%0.10525%0.25CC..Hα-helixtrans-73.8-15.9175.8-700000114.5A147 P148 N149 S153 A154 D224A147-S151 PolarHBondContact O-N 3.3Å; P148-S151 PolarHBondContact O-N 3.38Å; N149-S151 VanDerWaalsContact C-N 3.33Å; S151-S153 PolarHBondContact O-N 2.85Å; S151-S153 VanDerWaalsContact O-N 3.08Å; S151-A154 VanDerWaalsContact O-CB 3.28Å; S151-A154 WeakPolarHBondContact O-CB 3.34Å; S151-A154 PolarHBondContact O-N 3.04Å; S151-D224 WeakPolarHBondContact CB-OD2 3.4Å; S151-D224 VanDerWaalsContact OG-CB 3.26Å; S151-D224 WeakPolarHBondContact OG-CB 3.49Å; S151-D224 PolarHBondContact OG-OD2 2.87Å
152L57.9Low61.6Low16 Ų1654.1 Ų54.18%0.08427%0.272CS..THydrogen-bonded Turntrans-62.7-7.3160-70.1170.8000112.5C143 P148 N149 E150 A154 V155 L199 L228 F232C143-L152 HydrophobicContact CB-CD1 3.87Å; P148-L152 PolarHBondContact O-N 3.25Å; P148-L152 VanDerWaalsContact O-N 3.13Å; N149-L152 WeakPolarHBondContact O-CB 3.32Å; N149-L152 PolarHBondContact O-N 2.97Å; N149-L152 WeakPolarHBondContact OD1-CD1 3.23Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 3.28Å; L152-A154 PolarHBondContact O-N 3.48Å; L152-V155 WeakPolarHBondContact O-CB 3.3Å; L152-V155 WeakPolarHBondContact O-CG2 3.35Å; L152-V155 PolarHBondContact O-N 3.28Å; L152-L199 HydrophobicContact CD2-CD1 4.25Å; L152-L228 HydrophobicContact CD2-CD1 4Å; L152-L228 HydrophobicContact CG-CD1 4.02Å; L152-F232 HydrophobicContact CD2-CE2 4.05Å; L152-F232 HydrophobicContact CD2-CZ 4.47Å
153S54.1Low60.7Low48 Ų4853.8 Ų53.834%0.33628%0.28SS..THydrogen-bonded Turntrans-64.9-14.6164.471.30000114E150 S151 V155 K156 V157E150-S153 WeakPolarHBondContact O-CA 3.32Å; E150-S153 WeakPolarHBondContact O-CB 3.28Å; E150-S153 PolarHBondContact O-N 3.28Å; E150-S153 PolarHBondContact O-OG 3.31Å; S151-S153 PolarHBondContact O-N 2.85Å; S151-S153 VanDerWaalsContact O-N 3.08Å; S153-V155 PolarHBondContact O-N 2.96Å; S153-K156 CarbonylContact O-C 3.4Å; S153-K156 VanDerWaalsContact O-CA 3.25Å; S153-K156 WeakPolarHBondContact O-CA 3.4Å; S153-K156 WeakPolarHBondContact O-CB 3.43Å; S153-K156 PolarHBondContact O-N 3.42Å; S153-V157 PolarHBondContact O-N 3.23Å
154A55.8Low60.5Low1 Ų158.1 Ų58.11%0.00830%0.302CS..Hα-helixtrans-55.6-30.116400000111.5S151 L152 K156 V157 V158 F202 L220 I225S151-A154 VanDerWaalsContact O-CB 3.28Å; S151-A154 WeakPolarHBondContact O-CB 3.34Å; S151-A154 PolarHBondContact O-N 3.04Å; L152-A154 PolarHBondContact O-N 3.48Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 3.1Å; A154-V157 VanDerWaalsContact O-CB 3.27Å; A154-V157 WeakPolarHBondContact O-CB 3.34Å; A154-V157 PolarHBondContact O-N 2.75Å; A154-V158 PolarHBondContact O-N 3.1Å; A154-V158 VanDerWaalsContact O-N 3.16Å; A154-F202 HydrophobicContact CB-CE1 4.34Å; A154-F202 HydrophobicContact CB-CE2 3.89Å; A154-F202 HydrophobicContact CB-CZ 3.78Å; A154-L220 HydrophobicContact CB-CD2 3.87Å; A154-I225 HydrophobicContact CB-CD1 3.67Å; A154-I225 HydrophobicContact CB-CG1 4.02Å
155V55.9Low60.4Low13 Ų1356 Ų568%0.07931%0.305CS..Hα-helixtrans-68.1-30.8170.4-175.80000111.7L152 S153 V157 V158 N159 H187L152-V155 WeakPolarHBondContact O-CB 3.3Å; L152-V155 WeakPolarHBondContact O-CG2 3.35Å; L152-V155 PolarHBondContact O-N 3.28Å; S153-V155 PolarHBondContact O-N 2.96Å; V155-V157 VanDerWaalsContact C-N 3.35Å; V155-V158 PolarHBondContact O-N 3.16Å; V155-N159 PolarHBondContact O-N 3.03Å; V155-N159 VanDerWaalsContact O-N 3.08Å; V155-N159 PolarHBondContact O-ND2 3.25Å; V155-H187 WeakPolarHBondContact CG1-CD2 3.47Å; V155-H187 WeakPolarHBondContact CG1-NE2 3.42Å
156K59.3Low60.6Low145 Ų14559.1 Ų59.163%0.6332%0.322SS*.Hα-helixtrans-68.2-33.9171-58.2175.8-176.7170.50111.5S153 A154 N159 K160S153-K156 CarbonylContact O-C 3.4Å; S153-K156 VanDerWaalsContact O-CA 3.25Å; S153-K156 WeakPolarHBondContact O-CA 3.4Å; S153-K156 WeakPolarHBondContact O-CB 3.43Å; S153-K156 PolarHBondContact O-N 3.42Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 3.1Å; K156-N159 CarbonylContact O-C 3.58Å; K156-N159 WeakPolarHBondContact O-CA 3.49Å; K156-N159 WeakPolarHBondContact O-CB 3.39Å; K156-N159 PolarHBondContact O-N 3.14Å; K156-N159 VanDerWaalsContact O-N 3.17Å; K156-K160 PolarHBondContact O-N 2.86Å
157V61.3Low60.8Low11 Ų1156.2 Ų56.27%0.06730%0.301CS..Hα-helixtrans-59.4-49.2171.6159.60000110.7S153 A154 V155 N159 K160 I161 F202 I209 L213 L220S153-V157 PolarHBondContact O-N 3.23Å; A154-V157 VanDerWaalsContact O-CB 3.27Å; A154-V157 WeakPolarHBondContact O-CB 3.34Å; A154-V157 PolarHBondContact O-N 2.75Å; V155-V157 VanDerWaalsContact C-N 3.35Å; V157-N159 PolarHBondContact O-N 3.42Å; V157-K160 WeakPolarHBondContact O-CA 3.42Å; V157-K160 WeakPolarHBondContact O-CB 3.19Å; V157-K160 PolarHBondContact O-N 3.04Å; V157-I161 HydrophobicContact CG1-CD1 4.31Å; V157-I161 PolarHBondContact O-N 3.14Å; V157-I161 VanDerWaalsContact O-N 3.15Å; V157-F202 HydrophobicContact CG1-CE2 4.17Å; V157-I209 HydrophobicContact CG1-CG2 4.18Å; V157-L213 HydrophobicContact CB-CD1 4.44Å; V157-L213 HydrophobicContact CB-CD2 4.47Å; V157-L213 HydrophobicContact CG1-CD1 3.66Å; V157-L213 HydrophobicContact CG1-CD2 3.74Å; V157-L213 HydrophobicContact CG1-CG 4.03Å; V157-L213 HydrophobicContact CG2-CD1 3.99Å; V157-L213 HydrophobicContact CG2-CD2 4.05Å; V157-L220 HydrophobicContact CG2-CD2 4.05Å
158V60.1Low61.2Low2 Ų256.7 Ų56.71%0.01230%0.299CS..Hα-helixtrans-56.6-39.8173.9178.30000111.2A154 V155 K160 I161 K162 L185 H187 F202A154-V158 PolarHBondContact O-N 3.1Å; A154-V158 VanDerWaalsContact O-N 3.16Å; V155-V158 PolarHBondContact O-N 3.16Å; V158-K160 PolarHBondContact O-N 2.94Å; V158-I161 PolarHBondContact O-N 3.18Å; V158-K162 WeakPolarHBondContact O-CB 3.04Å; V158-K162 PolarHBondContact O-N 3.45Å; V158-L185 HydrophobicContact CG1-CB 3.48Å; V158-L185 VanDerWaalsContact CG1-CB 3.48Å; V158-L185 HydrophobicContact CG1-CD1 4.29Å; V158-L185 HydrophobicContact CG1-CG 4.44Å; V158-L185 HydrophobicContact CG2-CB 4.31Å; V158-L185 HydrophobicContact CG2-CD1 3.98Å; V158-L185 HydrophobicContact CG2-CD2 4.43Å; V158-L185 HydrophobicContact CG2-CG 4.48Å; V158-H187 HydrophobicContact CG1-CB 4.44Å; V158-F202 HydrophobicContact CG2-CD2 3.75Å; V158-F202 HydrophobicContact CG2-CE2 4.08Å
159N58.2Low61.9Low49 Ų4963.6 Ų63.626%0.26233%0.325SS..Hα-helixtrans-71.2-9.9175.1-69.7-45.6000114.4V155 K156 V157 P163 H187V155-N159 PolarHBondContact O-N 3.03Å; V155-N159 VanDerWaalsContact O-N 3.08Å; V155-N159 PolarHBondContact O-ND2 3.25Å; K156-N159 CarbonylContact O-C 3.58Å; K156-N159 WeakPolarHBondContact O-CA 3.49Å; K156-N159 WeakPolarHBondContact O-CB 3.39Å; K156-N159 PolarHBondContact O-N 3.14Å; K156-N159 VanDerWaalsContact O-N 3.17Å; V157-N159 PolarHBondContact O-N 3.42Å; N159-P163 WeakPolarHBondContact O-CD 3.44Å; N159-P163 WeakPolarHBondContact O-CG 3.23Å; N159-H187 PolarHBondContact ND2-CE1 3.34Å; N159-H187 VanDerWaalsContact ND2-CE1 3.27Å; N159-H187 PolarHBondContact ND2-ND1 2.99Å; N159-H187 PolarHBondContact OD1-CE1 3.46Å; N159-H187 PolarHBondContact OD1-ND1 3.09Å
160K60.8Low62.4Low134 Ų13466.9 Ų66.958%0.58333%0.332SS*.Hα-helixtrans-89.2-31.1168.3-70.3-179.9177.8-177.90112.3K156 V157 V158K156-K160 PolarHBondContact O-N 2.86Å; V157-K160 WeakPolarHBondContact O-CA 3.42Å; V157-K160 WeakPolarHBondContact O-CB 3.19Å; V157-K160 PolarHBondContact O-N 3.04Å; V158-K160 PolarHBondContact O-N 2.94Å
161I62.1Low63Low7 Ų760.1 Ų60.14%0.03630%0.301CS..Hα-helixtrans-73.1-45.2176.2-59.7171.7000110.3V157 V158 F171 F212V157-I161 HydrophobicContact CG1-CD1 4.31Å; V157-I161 PolarHBondContact O-N 3.14Å; V157-I161 VanDerWaalsContact O-N 3.15Å; V158-I161 PolarHBondContact O-N 3.18Å; I161-F171 HydrophobicContact CG2-CB 4.2Å; I161-F171 HydrophobicContact CG2-CD1 4.24Å; I161-F171 HydrophobicContact CG2-CG 4.34Å; I161-F212 HydrophobicContact CD1-CD1 4.15Å; I161-F212 HydrophobicContact CD1-CE1 4.32Å; I161-F212 HydrophobicContact CG1-CD1 4.12Å; I161-F212 HydrophobicContact CG1-CE1 3.79Å
162K59.7Low63.8Low109 Ų10963.8 Ų63.847%0.47431%0.312SS..THydrogen-bonded Turntrans-62.2-40.2-172.1-171.6-180-179.1-173.60117.4V158 L164 H187V158-K162 WeakPolarHBondContact O-CB 3.04Å; V158-K162 PolarHBondContact O-N 3.45Å; K162-L164 VanDerWaalsContact C-N 3.35Å; K162-L164 PolarHBondContact O-N 2.86Å; K162-H187 PolarHBondContact NZ-O 3.27Å
163P55.6Low64.8Low98 Ų9868.3 Ų68.364%0.63633%0.333SS*.THydrogen-bonded Turntrans-77.7-20.5-171.7-13.328.5000113.6N159N159-P163 WeakPolarHBondContact O-CD 3.44Å; N159-P163 WeakPolarHBondContact O-CG 3.23Å
164L61.1Low66Low100 Ų10067 Ų6752%0.52432%0.322SS..  trans-103.4105.5-175.4-67.7169.3000108.5K162 L166 N167 D168K162-L164 VanDerWaalsContact C-N 3.35Å; K162-L164 PolarHBondContact O-N 2.86Å; L164-L166 PolarHBondContact O-N 3.47Å; L164-N167 HydrophobicContact CB-CB 4.03Å; L164-N167 VanDerWaalsContact CD1-ND2 3.34Å; L164-N167 WeakPolarHBondContact CD1-ND2 3.39Å; L164-N167 PolarHBondContact O-N 2.94Å; L164-D168 PolarHBondContact O-N 3.45Å
165A64.7Low67.1Low66 Ų6667 Ų6755%0.54532%0.322SS..Hα-helixtrans-55.7-17.9178.200000113.8R169A165-R169 WeakPolarHBondContact O-CG 2.98Å; A165-R169 PolarHBondContact O-NE 3.49Å
166L70.9Confident68.2Low88 Ų8872.4 Ų72.446%0.46135%0.346SS..Hα-helixtrans-76.9-40.4172.1-174.364.8000112.2L164 R169 R170L164-L166 PolarHBondContact O-N 3.47Å; L166-R169 PolarHBondContact O-N 3.34Å; L166-R170 WeakPolarHBondContact O-CG 3.4Å; L166-R170 PolarHBondContact O-N 3.43Å
167N68.6Low69.3Low28 Ų2872.4 Ų72.415%0.1535%0.348CS..Hα-helixtrans-71.7-38.1-179.7-68.80.3000111.7L164 R169 R170 F171 F212L164-N167 HydrophobicContact CB-CB 4.03Å; L164-N167 VanDerWaalsContact CD1-ND2 3.34Å; L164-N167 WeakPolarHBondContact CD1-ND2 3.39Å; L164-N167 PolarHBondContact O-N 2.94Å; N167-R169 VanDerWaalsContact C-N 3.29Å; N167-R169 PolarHBondContact O-N 3.45Å; N167-R170 PolarHBondContact O-N 3.46Å; N167-F171 WeakPolarHBondContact O-CB 3.42Å; N167-F171 PolarHBondContact O-N 2.97Å; N167-F212 HydrophobicContact CB-CZ 3.93Å
168D71.9Confident70.2Confident40 Ų4074.9 Ų74.921%0.21436%0.361CS..Hα-helixtrans-61-38172.9-173.691.5000112L164 R172L164-D168 PolarHBondContact O-N 3.45Å; D168-R172 VanDerWaalsContact O-CB 3.3Å; D168-R172 WeakPolarHBondContact O-CB 3.27Å; D168-R172 PolarHBondContact O-N 2.94Å; D168-R172 VanDerWaalsContact O-N 3.09Å; D168-R172 IonicContact OD2-CZ 3.06Å; D168-R172 IonicContact OD2-NH2 2.78Å; D168-R172 PolarHBondContact OD2-NH2 3.19Å
169R76.8Confident71Confident145 Ų14582.4 Ų82.455%0.54740%0.401SS..Hα-helixtrans-69.5-48.7176.9-79-177.6-81.9172.2-5112.1A165 L166 N167 F171 R172 E173A165-R169 WeakPolarHBondContact O-CG 2.98Å; A165-R169 PolarHBondContact O-NE 3.49Å; L166-R169 PolarHBondContact O-N 3.34Å; N167-R169 VanDerWaalsContact C-N 3.29Å; N167-R169 PolarHBondContact O-N 3.45Å; R169-F171 PolarHBondContact O-N 3.42Å; R169-R172 WeakPolarHBondContact O-CB 3.25Å; R169-R172 PolarHBondContact O-N 3.21Å; R169-E173 PolarHBondContact O-N 3.48Å
170R73.9Confident71.9Confident146 Ų14682 Ų8255%0.55140%0.398SS*.Hα-helixtrans-61.1-43.3177.1-74.9-178.9174-172.4-3.5112.4L166 N167 R172 E173 L174 F212L166-R170 WeakPolarHBondContact O-CG 3.4Å; L166-R170 PolarHBondContact O-N 3.43Å; N167-R170 PolarHBondContact O-N 3.46Å; R170-R172 VanDerWaalsContact C-N 3.29Å; R170-R172 PolarHBondContact O-N 2.91Å; R170-E173 PolarHBondContact O-N 3.01Å; R170-L174 PolarHBondContact O-N 3.19Å; R170-F212 HydrophobicContact CB-CE2 4.18Å
171F74.4Confident72.4Confident2 Ų283 Ų831%0.00941%0.408CS..Hα-helixtrans-66.5-33.5178.1-175.4-117.6000111.9I161 N167 R169 L174 C175 F182 L185 L205 I209 F212I161-F171 HydrophobicContact CG2-CB 4.2Å; I161-F171 HydrophobicContact CG2-CD1 4.24Å; I161-F171 HydrophobicContact CG2-CG 4.34Å; N167-F171 WeakPolarHBondContact O-CB 3.42Å; N167-F171 PolarHBondContact O-N 2.97Å; R169-F171 PolarHBondContact O-N 3.42Å; F171-L174 PolarHBondContact O-N 2.82Å; F171-C175 PolarHBondContact O-N 3.29Å; F171-C175 PolarHBondContact O-SG 3.15Å; F171-F182 HydrophobicContact CD1-CD2 4.34Å; F171-F182 AromaticContact CD1-CE2 3.72Å; F171-F182 HydrophobicContact CD1-CE2 3.72Å; F171-F182 HydrophobicContact CE1-CD2 4.48Å; F171-F182 HydrophobicContact CE1-CE2 4.14Å; F171-L185 HydrophobicContact CE1-CD1 4.11Å; F171-L205 HydrophobicContact CE1-CD1 4.07Å; F171-L205 HydrophobicContact CZ-CB 4.24Å; F171-L205 HydrophobicContact CZ-CD1 4.15Å; F171-I209 HydrophobicContact CE2-CG1 3.76Å; F171-I209 HydrophobicContact CZ-CD1 4.34Å; F171-I209 HydrophobicContact CZ-CG1 3.5Å; F171-F212 HydrophobicContact CB-CD2 4.17Å; F171-F212 HydrophobicContact CB-CE2 4.17Å; F171-F212 HydrophobicContact CD2-CB 3.91Å; F171-F212 HydrophobicContact CD2-CD2 4.06Å; F171-F212 AromaticContact CD2-CG 3.92Å; F171-F212 HydrophobicContact CD2-CG 3.92Å; F171-F212 HydrophobicContact CE2-CB 4.3Å
172R76.9Confident72.4Confident92 Ų9284.4 Ų84.435%0.34741%0.414SS..Hα-helixtrans-67.4-41.7173.7-176.3-170.1-53.7-89.7-7.1112.8D168 R169 R170 L174 C175 Q176 F182D168-R172 VanDerWaalsContact O-CB 3.3Å; D168-R172 WeakPolarHBondContact O-CB 3.27Å; D168-R172 PolarHBondContact O-N 2.94Å; D168-R172 VanDerWaalsContact O-N 3.09Å; D168-R172 IonicContact OD2-CZ 3.06Å; D168-R172 IonicContact OD2-NH2 2.78Å; D168-R172 PolarHBondContact OD2-NH2 3.19Å; R169-R172 WeakPolarHBondContact O-CB 3.25Å; R169-R172 PolarHBondContact O-N 3.21Å; R170-R172 VanDerWaalsContact C-N 3.29Å; R170-R172 PolarHBondContact O-N 2.91Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-C175 PolarHBondContact O-N 2.92Å; R172-Q176 WeakPolarHBondContact O-CG 3.45Å; R172-Q176 PolarHBondContact O-N 3.26Å; R172-Q176 VanDerWaalsContact O-N 3.12Å; R172-F182 HydrophobicContact CB-CD2 3.89Å; R172-F182 HydrophobicContact CB-CE2 3.92Å; R172-F182 HydrophobicContact CB-CG 4.28Å; R172-F182 HydrophobicContact CB-CZ 4.38Å; R172-F182 HydrophobicContact CG-CB 4.33Å; R172-F182 HydrophobicContact CG-CD1 4.27Å; R172-F182 HydrophobicContact CG-CD2 4.1Å; R172-F182 HydrophobicContact CG-CE2 4.47Å; R172-F182 HydrophobicContact CG-CG 3.97Å; R172-F182 VanDerWaalsContact NH1-CD1 3.3Å
173E78.3Confident72.4Confident111 Ų11185.2 Ų85.252%0.51942%0.419SS..Hα-helixtrans-61.4-45.5173.7-74.3168.8176.900110.1R169 R170 C175 Q176 E177R169-E173 PolarHBondContact O-N 3.48Å; R170-E173 PolarHBondContact O-N 3.01Å; E173-C175 PolarHBondContact O-N 3.27Å; E173-Q176 WeakPolarHBondContact O-CA 3.48Å; E173-Q176 WeakPolarHBondContact O-CB 3.32Å; E173-Q176 PolarHBondContact O-N 2.8Å; E173-E177 WeakPolarHBondContact O-CG 3.32Å; E173-E177 PolarHBondContact O-N 2.98Å
174L79.6Confident72.6Confident21 Ų2188.1 Ų88.111%0.1142%0.418CS..Hα-helixtrans-59.4-45.2176.5-170.267.5000112.9R170 F171 R172 Q176 E177 N178 S208 E211 F212R170-L174 PolarHBondContact O-N 3.19Å; F171-L174 PolarHBondContact O-N 2.82Å; R172-L174 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 2.96Å; L174-E177 PolarHBondContact O-N 2.86Å; L174-N178 PolarHBondContact O-N 2.83Å; L174-S208 VanDerWaalsContact CD2-O 3.29Å; L174-S208 WeakPolarHBondContact CD2-O 3.45Å; L174-E211 HydrophobicContact CD1-CG 4.33Å; L174-E211 HydrophobicContact CD2-CB 4.3Å; L174-E211 HydrophobicContact CD2-CG 4.25Å; L174-F212 HydrophobicContact CD2-CB 3.84Å; L174-F212 HydrophobicContact CD2-CD2 4.43Å
175C78.4Confident72.4Confident0 Ų084.1 Ų84.10%040%0.396CS..Hα-helixtrans-60.5-34.9174.9-65.10000111.8F171 R172 E173 N178 D179 E180 F182F171-C175 PolarHBondContact O-N 3.29Å; F171-C175 PolarHBondContact O-SG 3.15Å; R172-C175 PolarHBondContact O-N 2.92Å; E173-C175 PolarHBondContact O-N 3.27Å; C175-N178 PolarHBondContact O-N 2.96Å; C175-D179 PolarHBondContact O-N 3.46Å; C175-E180 HydrophobicContact CB-CB 4.28Å; C175-E180 WeakPolarHBondContact O-CA 3.39Å; C175-E180 WeakPolarHBondContact O-CB 3.43Å; C175-E180 PolarHBondContact O-N 3.3Å; C175-F182 HydrophobicContact CB-CB 4.18Å; C175-F182 HydrophobicContact CB-CD2 4.26Å
176Q79.1Confident71.8Confident126 Ų12686 Ų8659%0.58940%0.397SS*.Hα-helixtrans-71.6-36.9176.8-72.5174.2-13.700112.2R172 E173 L174 N178 D179R172-Q176 WeakPolarHBondContact O-CG 3.45Å; R172-Q176 PolarHBondContact O-N 3.26Å; R172-Q176 VanDerWaalsContact O-N 3.12Å; E173-Q176 WeakPolarHBondContact O-CA 3.48Å; E173-Q176 WeakPolarHBondContact O-CB 3.32Å; E173-Q176 PolarHBondContact O-N 2.8Å; L174-Q176 PolarHBondContact O-N 2.96Å; Q176-N178 VanDerWaalsContact C-N 3.27Å; Q176-D179 PolarHBondContact O-N 2.73Å
177E82.4Confident70.7Confident146 Ų14682.5 Ų82.568%0.68238%0.378SS*.Hα-helixtrans-65.5-33.2174.8-70.6172.1-179.400111.7E173 L174 D179E173-E177 WeakPolarHBondContact O-CG 3.32Å; E173-E177 PolarHBondContact O-N 2.98Å; L174-E177 PolarHBondContact O-N 2.86Å; E177-D179 VanDerWaalsContact C-N 3.33Å; E177-D179 PolarHBondContact O-N 3.3Å
178N80Confident69.5Low63 Ų6384.7 Ų84.734%0.33739%0.393SS..THydrogen-bonded Turntrans-87.910.8177.9-69.2-18.9000114.2L174 C175 Q176 E180 S208 E211L174-N178 PolarHBondContact O-N 2.83Å; C175-N178 PolarHBondContact O-N 2.96Å; Q176-N178 VanDerWaalsContact C-N 3.27Å; N178-E180 HydrophobicContact CB-CG 4.16Å; N178-E180 PolarHBondContact O-N 2.87Å; N178-E180 VanDerWaalsContact O-N 3.16Å; N178-S208 PolarHBondContact ND2-OG 3.29Å; N178-E211 PolarHBondContact ND2-OE2 3.28Å
179D78.8Confident68Low159 Ų15988.2 Ų88.285%0.8541%0.411SS*.THydrogen-bonded Turntrans55.425.8-176-74.1-41.8000114.4C175 Q176 E177C175-D179 PolarHBondContact O-N 3.46Å; Q176-D179 PolarHBondContact O-N 2.73Å; E177-D179 VanDerWaalsContact C-N 3.33Å; E177-D179 PolarHBondContact O-N 3.3Å
180E76.1Confident66.5Low40 Ų4085.7 Ų85.719%0.18741%0.412CS..  trans-93.6140.4179.9-65.8-178.5164.400112.4C175 N178 F182 L205 S208C175-E180 HydrophobicContact CB-CB 4.28Å; C175-E180 WeakPolarHBondContact O-CA 3.39Å; C175-E180 WeakPolarHBondContact O-CB 3.43Å; C175-E180 PolarHBondContact O-N 3.3Å; N178-E180 HydrophobicContact CB-CG 4.16Å; N178-E180 PolarHBondContact O-N 2.87Å; N178-E180 VanDerWaalsContact O-N 3.16Å; E180-F182 PolarHBondContact O-N 2.82Å; E180-L205 HydrophobicContact CB-CD2 4Å; E180-L205 VanDerWaalsContact OE2-CD2 3.31Å; E180-L205 WeakPolarHBondContact OE2-CD2 3.22Å; E180-S208 PolarHBondContact OE1-OG 3.31Å; E180-S208 WeakPolarHBondContact OE2-CB 3.36Å; E180-S208 PolarHBondContact OE2-OG 2.84Å
181I70.4Confident65.7Low155 Ų15580.8 Ų80.880%0.79539%0.394SS*.  trans-74.3103.7173.6-58.4175.8000108.6Q183I181-Q183 PolarHBondContact O-N 2.56Å
182F62.1Low65.1Low38 Ų3881.3 Ų81.317%0.16740%0.395CS..  trans-57.6105.1173.7-179.2-91.2000110.8F171 R172 C175 E180 R184F171-F182 HydrophobicContact CD1-CD2 4.34Å; F171-F182 AromaticContact CD1-CE2 3.72Å; F171-F182 HydrophobicContact CD1-CE2 3.72Å; F171-F182 HydrophobicContact CE1-CD2 4.48Å; F171-F182 HydrophobicContact CE1-CE2 4.14Å; R172-F182 HydrophobicContact CB-CD2 3.89Å; R172-F182 HydrophobicContact CB-CE2 3.92Å; R172-F182 HydrophobicContact CB-CG 4.28Å; R172-F182 HydrophobicContact CB-CZ 4.38Å; R172-F182 HydrophobicContact CG-CB 4.33Å; R172-F182 HydrophobicContact CG-CD1 4.27Å; R172-F182 HydrophobicContact CG-CD2 4.1Å; R172-F182 HydrophobicContact CG-CE2 4.47Å; R172-F182 HydrophobicContact CG-CG 3.97Å; R172-F182 VanDerWaalsContact NH1-CD1 3.3Å; C175-F182 HydrophobicContact CB-CB 4.18Å; C175-F182 HydrophobicContact CB-CD2 4.26Å; E180-F182 PolarHBondContact O-N 2.82Å; F182-R184 HydrophobicContact CE1-CB 4.11Å; F182-R184 HydrophobicContact CE1-CG 4.47Å
183Q61.3Low64.2Low125 Ų12578.3 Ų78.358%0.58439%0.386SS*.  trans-107.5121.1170.6-158.9171.232.100107.9I181 L185 C201I181-Q183 PolarHBondContact O-N 2.56Å; Q183-L185 PolarHBondContact O-N 2.87Å; Q183-L185 VanDerWaalsContact O-N 3.08Å; Q183-C201 PolarHBondContact O-SG 2.93Å
184R59.4Low63.5Low160 Ų16074.1 Ų74.160%0.60437%0.369SS*.  trans-61.9119.2-174.4-165.6173.175.4-172.64.1109.2F182 L186F182-R184 HydrophobicContact CE1-CB 4.11Å; F182-R184 HydrophobicContact CE1-CG 4.47Å; R184-L186 WeakPolarHBondContact O-CG 3.42Å; R184-L186 PolarHBondContact O-N 3.47Å
185L56Low62.8Low15 Ų1576.1 Ų76.18%0.07938%0.375CS..  trans-63.497.4176.6-66.7159000109.8V158 F171 Q183 H187 C201 F202 L205 I209V158-L185 HydrophobicContact CG1-CB 3.48Å; V158-L185 VanDerWaalsContact CG1-CB 3.48Å; V158-L185 HydrophobicContact CG1-CD1 4.29Å; V158-L185 HydrophobicContact CG1-CG 4.44Å; V158-L185 HydrophobicContact CG2-CB 4.31Å; V158-L185 HydrophobicContact CG2-CD1 3.98Å; V158-L185 HydrophobicContact CG2-CD2 4.43Å; V158-L185 HydrophobicContact CG2-CG 4.48Å; F171-L185 HydrophobicContact CE1-CD1 4.11Å; Q183-L185 PolarHBondContact O-N 2.87Å; Q183-L185 VanDerWaalsContact O-N 3.08Å; L185-H187 PolarHBondContact O-N 3.31Å; L185-C201 HydrophobicContact CD2-CB 3.84Å; L185-C201 VanDerWaalsContact CD2-SG 3.55Å; L185-F202 HydrophobicContact CD2-CB 4.28Å; L185-L205 HydrophobicContact CG-CD1 4.48Å; L185-I209 HydrophobicContact CD1-CD1 4.2Å
186L51.7Low62.2Low107 Ų10776.1 Ų76.156%0.5638%0.375SS*.  trans-85.8101.1-176.1-72.5172.5000110.6R184R184-L186 WeakPolarHBondContact O-CG 3.42Å; R184-L186 PolarHBondContact O-N 3.47Å
187H48.7Very low61.6Low13 Ų1374.2 Ų74.26%0.0637%0.369CS..  trans-95.9133.8171.3176.4-111.2000113.5V155 V158 N159 K162 L185 N189V155-H187 WeakPolarHBondContact CG1-CD2 3.47Å; V155-H187 WeakPolarHBondContact CG1-NE2 3.42Å; V158-H187 HydrophobicContact CG1-CB 4.44Å; N159-H187 PolarHBondContact ND2-CE1 3.34Å; N159-H187 VanDerWaalsContact ND2-CE1 3.27Å; N159-H187 PolarHBondContact ND2-ND1 2.99Å; N159-H187 PolarHBondContact OD1-CE1 3.46Å; N159-H187 PolarHBondContact OD1-ND1 3.09Å; K162-H187 PolarHBondContact NZ-O 3.27Å; L185-H187 PolarHBondContact O-N 3.31Å; H187-N189 PolarHBondContact CE1-N 3.19Å; H187-N189 VanDerWaalsContact CE1-N 3.26Å; H187-N189 PolarHBondContact CE1-OD1 3.37Å; H187-N189 WeakPolarHBondContact NE2-CA 3.46Å; H187-N189 PolarHBondContact NE2-N 2.93Å; H187-N189 PolarHBondContact NE2-OD1 3.49Å
188T44.1Very low60.9Low74 Ų7467.5 Ų67.545%0.45434%0.338SS..  trans-130.7129.4149.456.10000109.4V190 S194T188-V190 PolarHBondContact O-N 3.12Å; T188-S194 PolarHBondContact O-OG 3.4Å; T188-S194 PolarHBondContact OG1-OG 3.33Å
189N40.4Very low60.3Low114 Ų11464.5 Ų64.561%0.6132%0.322SS*.THydrogen-bonded Turntrans-59.5-9.6-179.9-94.2-34.3000114.2H187H187-N189 PolarHBondContact CE1-N 3.19Å; H187-N189 VanDerWaalsContact CE1-N 3.26Å; H187-N189 PolarHBondContact CE1-OD1 3.37Å; H187-N189 WeakPolarHBondContact NE2-CA 3.46Å; H187-N189 PolarHBondContact NE2-N 2.93Å; H187-N189 PolarHBondContact NE2-OD1 3.49Å
190V43.8Very low59.8Low92 Ų9259.7 Ų59.756%0.55830%0.298SS*.THydrogen-bonded Turntrans-95.3-22.9-154.5-170.80000111.9T188T188-V190 PolarHBondContact O-N 3.12Å
191R57.4Low59.4Low44 Ų4458.2 Ų58.217%0.16629%0.292CS..  trans-147.7138.3-167.6-63-178173.7171.6-22114.2L193 S194 R195 V361 E362R191-L193 VanDerWaalsContact C-N 3.35Å; R191-L193 PolarHBondContact O-N 3.44Å; R191-S194 PolarHBondContact O-N 3.22Å; R191-S194 PolarHBondContact O-OG 2.54Å; R191-R195 PolarHBondContact O-N 3.42Å; R191-V361 PolarHBondContact NH2-O 3.17Å; R191-V361 VanDerWaalsContact NH2-O 3.13Å; R191-E362 VanDerWaalsContact NH1-CA 3.33Å; R191-E362 PolarHBondContact NH1-O 2.74Å
192W61.6Low59.3Low12 Ų1250.9 Ų50.95%0.04526%0.255CS..Hα-helixtrans-61.8-33.7-179.572.7-74.5000114.3N138 A141 S194 R195 G196 F232 M235 N236 I239N138-W192 HydrophobicContact CB-CG 4.42Å; N138-W192 VanDerWaalsContact OD1-CD1 3.22Å; N138-W192 PolarHBondContact OD1-N 3.47Å; A141-W192 HydrophobicContact CB-CB 3.74Å; A141-W192 HydrophobicContact CB-CD2 4.3Å; A141-W192 HydrophobicContact CB-CE3 4.31Å; A141-W192 HydrophobicContact CB-CG 4.06Å; W192-S194 VanDerWaalsContact C-N 3.31Å; W192-S194 PolarHBondContact O-N 3.49Å; W192-R195 WeakPolarHBondContact O-CA 3.39Å; W192-R195 WeakPolarHBondContact O-CB 3.44Å; W192-R195 PolarHBondContact O-N 2.77Å; W192-G196 PolarHBondContact O-N 2.95Å; W192-F232 HydrophobicContact CB-CE1 4.31Å; W192-F232 HydrophobicContact CE3-CD1 4.26Å; W192-M235 HydrophobicContact CE3-CB 4.24Å; W192-M235 HydrophobicContact CH2-CB 4.43Å; W192-M235 HydrophobicContact CZ3-CB 3.6Å; W192-N236 HydrophobicContact CH2-CB 4.46Å; W192-N236 WeakPolarHBondContact CH2-OD1 3.29Å; W192-N236 HydrophobicContact CZ3-CB 4.32Å; W192-N236 WeakPolarHBondContact CZ3-OD1 3.38Å; W192-I239 HydrophobicContact CH2-CB 4.05Å; W192-I239 HydrophobicContact CH2-CD1 3.51Å; W192-I239 HydrophobicContact CH2-CG1 3.76Å; W192-I239 HydrophobicContact CZ2-CB 4.18Å; W192-I239 HydrophobicContact CZ2-CD1 3.07Å; W192-I239 HydrophobicContact CZ2-CG1 3.82Å; W192-I239 HydrophobicContact CZ2-CG2 4.43Å
193L59.1Low59.6Low29 Ų2950.9 Ų50.915%0.15226%0.259CS..Hα-helixtrans-62-38.7-179.8-159.7108000111.7R191 N197 N236R191-L193 VanDerWaalsContact C-N 3.35Å; R191-L193 PolarHBondContact O-N 3.44Å; L193-N197 PolarHBondContact O-N 3.25Å; L193-N197 PolarHBondContact O-ND2 3.01Å; L193-N236 WeakPolarHBondContact CD1-OD1 3.27Å
194S63.8Low60.1Low23 Ų2348.1 Ų48.116%0.16125%0.253CS..Hα-helixtrans-73.4-30.2173.660.50000112.2T188 R191 W192 C198T188-S194 PolarHBondContact O-OG 3.4Å; T188-S194 PolarHBondContact OG1-OG 3.33Å; R191-S194 PolarHBondContact O-N 3.22Å; R191-S194 PolarHBondContact O-OG 2.54Å; W192-S194 VanDerWaalsContact C-N 3.31Å; W192-S194 PolarHBondContact O-N 3.49Å; S194-C198 WeakPolarHBondContact O-CB 3.36Å; S194-C198 PolarHBondContact O-N 2.62Å
195R65.1Low60.7Low64 Ų6440.5 Ų40.524%0.24223%0.225CC..Hα-helixtrans-64.1-45.9172.5-64.2-178.6-178.1-168.9-2.7111.9R191 W192 C198 L199R191-R195 PolarHBondContact O-N 3.42Å; W192-R195 WeakPolarHBondContact O-CA 3.39Å; W192-R195 WeakPolarHBondContact O-CB 3.44Å; W192-R195 PolarHBondContact O-N 2.77Å; R195-C198 WeakPolarHBondContact O-CB 3.47Å; R195-C198 PolarHBondContact O-N 3.36Å; R195-L199 WeakPolarHBondContact O-CG 3.4Å; R195-L199 PolarHBondContact O-N 2.81Å
196G64.9Low61.5Low0 Ų040.4 Ų40.40%022%0.224CC..Hα-helixtrans-61.7-49177.500000112.8W192 C198 L199 V200 F232W192-G196 PolarHBondContact O-N 2.95Å; G196-C198 VanDerWaalsContact C-N 3.25Å; G196-C198 PolarHBondContact O-N 3.39Å; G196-L199 PolarHBondContact O-N 2.66Å; G196-L199 VanDerWaalsContact O-N 3.13Å; G196-V200 WeakPolarHBondContact O-CG2 3.4Å; G196-V200 PolarHBondContact O-N 3.3Å; G196-F232 VanDerWaalsContact CA-CB 3.45Å
197N66.5Low62.5Low86 Ų8640.6 Ų40.646%0.4623%0.225SC..Hα-helixtrans-62.1-35.1176.1-66.9-18.8000112.2L193 C201L193-N197 PolarHBondContact O-N 3.25Å; L193-N197 PolarHBondContact O-ND2 3.01Å; N197-C201 VanDerWaalsContact O-CB 3.31Å; N197-C201 WeakPolarHBondContact O-CB 3.36Å; N197-C201 PolarHBondContact O-N 3.05Å; N197-C201 VanDerWaalsContact O-N 3.14Å
198C67.9Low63.8Low4 Ų440 Ų403%0.02722%0.222CC..Hα-helixtrans-65.6-40.8174.7-176.40000111.6S194 R195 G196 F202S194-C198 WeakPolarHBondContact O-CB 3.36Å; S194-C198 PolarHBondContact O-N 2.62Å; R195-C198 WeakPolarHBondContact O-CB 3.47Å; R195-C198 PolarHBondContact O-N 3.36Å; G196-C198 VanDerWaalsContact C-N 3.25Å; G196-C198 PolarHBondContact O-N 3.39Å; C198-F202 VanDerWaalsContact O-CB 3.25Å; C198-F202 WeakPolarHBondContact O-CB 3.14Å; C198-F202 PolarHBondContact O-N 2.55Å
199L67Low65.3Low1 Ų136.5 Ų36.51%0.00520%0.201CC..Hα-helixtrans-72.5-37.9179.3-73.7166.9000113.1L152 R195 G196 C201 F202 C203 I225 L228 F232L152-L199 HydrophobicContact CD2-CD1 4.25Å; R195-L199 WeakPolarHBondContact O-CG 3.4Å; R195-L199 PolarHBondContact O-N 2.81Å; G196-L199 PolarHBondContact O-N 2.66Å; G196-L199 VanDerWaalsContact O-N 3.13Å; L199-C201 VanDerWaalsContact C-N 3.34Å; L199-F202 WeakPolarHBondContact O-CB 3.34Å; L199-F202 PolarHBondContact O-N 3.49Å; L199-F202 VanDerWaalsContact O-N 3.16Å; L199-C203 PolarHBondContact O-N 2.75Å; L199-C203 PolarHBondContact O-SG 2.91Å; L199-I225 HydrophobicContact CD2-CG2 4.29Å; L199-L228 HydrophobicContact CD1-CB 3.99Å; L199-F232 HydrophobicContact CD1-CD2 3.3Å; L199-F232 HydrophobicContact CD1-CE2 3.59Å; L199-F232 HydrophobicContact CD1-CG 4.32Å
200V67.5Low66.7Low58 Ų5833.1 Ų33.135%0.35218%0.184SC..Hα-helixtrans-60.2-47.8172.2171.80000110.2G196 F202 C203 S204 E233G196-V200 WeakPolarHBondContact O-CG2 3.4Å; G196-V200 PolarHBondContact O-N 3.3Å; V200-F202 VanDerWaalsContact C-N 3.26Å; V200-F202 PolarHBondContact O-N 3.09Å; V200-C203 PolarHBondContact O-N 3.38Å; V200-S204 PolarHBondContact O-N 2.58Å; V200-E233 HydrophobicContact CG2-CB 4.48Å
201C68.2Low68.2Low9 Ų932.9 Ų32.96%0.06118%0.177CC..Hα-helixtrans-66.1-28.4175.9-173.20000112.9Q183 L185 N197 L199 S204 L205Q183-C201 PolarHBondContact O-SG 2.93Å; L185-C201 HydrophobicContact CD2-CB 3.84Å; L185-C201 VanDerWaalsContact CD2-SG 3.55Å; N197-C201 VanDerWaalsContact O-CB 3.31Å; N197-C201 WeakPolarHBondContact O-CB 3.36Å; N197-C201 PolarHBondContact O-N 3.05Å; N197-C201 VanDerWaalsContact O-N 3.14Å; L199-C201 VanDerWaalsContact C-N 3.34Å; C201-S204 WeakPolarHBondContact CA-OG 3.49Å; C201-S204 PolarHBondContact O-OG 3.19Å; C201-L205 WeakPolarHBondContact O-CG 3.47Å; C201-L205 PolarHBondContact O-N 3.5Å
202F68.8Low69Low1 Ų131.5 Ų31.50%0.00417%0.172CC..Hα-helixtrans-71.3-42.4174.6-169.2-74.4000110.6A154 V157 V158 L185 C198 L199 V200 S204 L205 F206 I209 L220 I225A154-F202 HydrophobicContact CB-CE1 4.34Å; A154-F202 HydrophobicContact CB-CE2 3.89Å; A154-F202 HydrophobicContact CB-CZ 3.78Å; V157-F202 HydrophobicContact CG1-CE2 4.17Å; V158-F202 HydrophobicContact CG2-CD2 3.75Å; V158-F202 HydrophobicContact CG2-CE2 4.08Å; L185-F202 HydrophobicContact CD2-CB 4.28Å; C198-F202 VanDerWaalsContact O-CB 3.25Å; C198-F202 WeakPolarHBondContact O-CB 3.14Å; C198-F202 PolarHBondContact O-N 2.55Å; L199-F202 WeakPolarHBondContact O-CB 3.34Å; L199-F202 PolarHBondContact O-N 3.49Å; L199-F202 VanDerWaalsContact O-N 3.16Å; V200-F202 VanDerWaalsContact C-N 3.26Å; V200-F202 PolarHBondContact O-N 3.09Å; F202-S204 VanDerWaalsContact C-N 3.33Å; F202-L205 CarbonylContact O-C 3.48Å; F202-L205 PolarHBondContact O-N 3.18Å; F202-F206 HydrophobicContact CD1-CD2 4.04Å; F202-F206 AromaticContact CE1-CD2 3.8Å; F202-F206 HydrophobicContact CE1-CD2 3.8Å; F202-F206 AromaticContact CE1-CE2 3.95Å; F202-F206 HydrophobicContact CE1-CE2 3.95Å; F202-F206 WeakPolarHBondContact O-CA 3.35Å; F202-F206 PolarHBondContact O-N 2.93Å; F202-F206 VanDerWaalsContact O-N 3.09Å; F202-I209 HydrophobicContact CB-CD1 4.35Å; F202-I209 HydrophobicContact CD1-CD1 4.02Å; F202-I209 HydrophobicContact CD2-CD1 3.63Å; F202-I209 HydrophobicContact CE1-CD1 4.21Å; F202-I209 HydrophobicContact CE1-CG2 4.19Å; F202-I209 HydrophobicContact CE2-CD1 3.86Å; F202-I209 HydrophobicContact CE2-CG2 3.92Å; F202-I209 HydrophobicContact CG-CD1 3.73Å; F202-I209 HydrophobicContact CZ-CD1 4.14Å; F202-I209 HydrophobicContact CZ-CG2 3.6Å; F202-L220 HydrophobicContact CE1-CD1 4.16Å; F202-L220 HydrophobicContact CZ-CD1 3.69Å; F202-L220 HydrophobicContact CZ-CD2 3.92Å; F202-I225 HydrophobicContact CD1-CG2 3.64Å; F202-I225 HydrophobicContact CE1-CD1 3.73Å; F202-I225 HydrophobicContact CE1-CG2 3.94Å; F202-I225 HydrophobicContact CZ-CD1 4.18Å
203C68.4Low69.3Low38 Ų3831.2 Ų31.226%0.25717%0.172SC..Hα-helixtrans-66.4-35.2177.2-66.40000112.1L199 V200 L205 F206 S229L199-C203 PolarHBondContact O-N 2.75Å; L199-C203 PolarHBondContact O-SG 2.91Å; V200-C203 PolarHBondContact O-N 3.38Å; C203-L205 PolarHBondContact O-N 3.35Å; C203-F206 WeakPolarHBondContact O-CB 3.41Å; C203-F206 PolarHBondContact O-N 3.17Å; C203-S229 WeakPolarHBondContact SG-CB 3.38Å
204S71.3Confident69.8Low66 Ų6636.7 Ų36.746%0.46220%0.196SC..THydrogen-bonded Turntrans-71.7-16.417764.40000114.3V200 C201 F202V200-S204 PolarHBondContact O-N 2.58Å; C201-S204 WeakPolarHBondContact CA-OG 3.49Å; C201-S204 PolarHBondContact O-OG 3.19Å; F202-S204 VanDerWaalsContact C-N 3.33Å
205L72.9Confident69.8Low1 Ų139.8 Ų39.81%0.00522%0.218CC..THydrogen-bonded Turntrans-117.619.4179.4-59.8174.7000110.6F171 E180 L185 C201 F202 C203 D207 S208 I209F171-L205 HydrophobicContact CE1-CD1 4.07Å; F171-L205 HydrophobicContact CZ-CB 4.24Å; F171-L205 HydrophobicContact CZ-CD1 4.15Å; E180-L205 HydrophobicContact CB-CD2 4Å; E180-L205 VanDerWaalsContact OE2-CD2 3.31Å; E180-L205 WeakPolarHBondContact OE2-CD2 3.22Å; L185-L205 HydrophobicContact CG-CD1 4.48Å; C201-L205 WeakPolarHBondContact O-CG 3.47Å; C201-L205 PolarHBondContact O-N 3.5Å; F202-L205 CarbonylContact O-C 3.48Å; F202-L205 PolarHBondContact O-N 3.18Å; C203-L205 PolarHBondContact O-N 3.35Å; L205-D207 VanDerWaalsContact C-N 3.33Å; L205-D207 PolarHBondContact O-N 3.25Å; L205-S208 PolarHBondContact O-N 2.92Å; L205-I209 HydrophobicContact CB-CD1 3.95Å; L205-I209 HydrophobicContact CB-CG1 4.22Å; L205-I209 WeakPolarHBondContact O-CB 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.28Å; L205-I209 PolarHBondContact O-N 2.98Å
206F72.6Confident69.3Low13 Ų1340.8 Ų40.86%0.05723%0.231CC..Hα-helixtrans-61.3-44.6-164.3-173.8-86.4000111.5F202 C203 I209 V210 H222 I225F202-F206 HydrophobicContact CD1-CD2 4.04Å; F202-F206 AromaticContact CE1-CD2 3.8Å; F202-F206 HydrophobicContact CE1-CD2 3.8Å; F202-F206 AromaticContact CE1-CE2 3.95Å; F202-F206 HydrophobicContact CE1-CE2 3.95Å; F202-F206 WeakPolarHBondContact O-CA 3.35Å; F202-F206 PolarHBondContact O-N 2.93Å; F202-F206 VanDerWaalsContact O-N 3.09Å; C203-F206 WeakPolarHBondContact O-CB 3.41Å; C203-F206 PolarHBondContact O-N 3.17Å; F206-I209 PolarHBondContact O-N 3.43Å; F206-I209 VanDerWaalsContact O-N 3.17Å; F206-V210 HydrophobicContact CD1-CG2 3.92Å; F206-V210 HydrophobicContact CE1-CG2 3.31Å; F206-V210 HydrophobicContact CZ-CG2 3.67Å; F206-V210 WeakPolarHBondContact O-CG2 3.18Å; F206-V210 PolarHBondContact O-N 2.78Å; F206-H222 AromaticContact CD1-NE2 3.97Å; F206-H222 AromaticContact CE1-CD2 3.1Å; F206-H222 WeakPolarHBondContact CE1-CD2 3.48Å; F206-H222 AromaticContact CE1-NE2 3.47Å; F206-H222 WeakPolarHBondContact CE1-NE2 3.49Å; F206-H222 AromaticContact CZ-CD2 3.23Å; F206-H222 WeakPolarHBondContact CZ-CD2 3.33Å; F206-H222 AromaticContact CZ-NE2 3.99Å; F206-I225 HydrophobicContact CE2-CD1 4.1Å
207D72.5Confident68.7Low111 Ų11148.5 Ų48.559%0.59427%0.272SS*.Hα-helixtrans-64.2-49.1-178.6-61.4-27.9000110.7L205 I209 V210 E211L205-D207 VanDerWaalsContact C-N 3.33Å; L205-D207 PolarHBondContact O-N 3.25Å; D207-I209 VanDerWaalsContact C-N 3.27Å; D207-I209 PolarHBondContact O-N 2.98Å; D207-V210 PolarHBondContact O-N 2.74Å; D207-E211 WeakPolarHBondContact O-CB 3.49Å; D207-E211 PolarHBondContact O-N 3.34Å
208S76.1Confident68.2Low0 Ų045.9 Ų45.90%026%0.263CS..Hα-helixtrans-59.7-34.1172.6-66.60000113.4L174 N178 E180 L205 F212L174-S208 VanDerWaalsContact CD2-O 3.29Å; L174-S208 WeakPolarHBondContact CD2-O 3.45Å; N178-S208 PolarHBondContact ND2-OG 3.29Å; E180-S208 PolarHBondContact OE1-OG 3.31Å; E180-S208 WeakPolarHBondContact OE2-CB 3.36Å; E180-S208 PolarHBondContact OE2-OG 2.84Å; L205-S208 PolarHBondContact O-N 2.92Å; S208-F212 WeakPolarHBondContact O-CB 3.48Å; S208-F212 PolarHBondContact O-N 3.35Å
209I74.8Confident67.5Low0 Ų050.7 Ų50.70%030%0.303CS..Hα-helixtrans-71.4-41.6177.8-71.4167.1000110.7V157 F171 L185 F202 L205 F206 D207 F212 L213 L220V157-I209 HydrophobicContact CG1-CG2 4.18Å; F171-I209 HydrophobicContact CE2-CG1 3.76Å; F171-I209 HydrophobicContact CZ-CD1 4.34Å; F171-I209 HydrophobicContact CZ-CG1 3.5Å; L185-I209 HydrophobicContact CD1-CD1 4.2Å; F202-I209 HydrophobicContact CB-CD1 4.35Å; F202-I209 HydrophobicContact CD1-CD1 4.02Å; F202-I209 HydrophobicContact CD2-CD1 3.63Å; F202-I209 HydrophobicContact CE1-CD1 4.21Å; F202-I209 HydrophobicContact CE1-CG2 4.19Å; F202-I209 HydrophobicContact CE2-CD1 3.86Å; F202-I209 HydrophobicContact CE2-CG2 3.92Å; F202-I209 HydrophobicContact CG-CD1 3.73Å; F202-I209 HydrophobicContact CZ-CD1 4.14Å; F202-I209 HydrophobicContact CZ-CG2 3.6Å; L205-I209 HydrophobicContact CB-CD1 3.95Å; L205-I209 HydrophobicContact CB-CG1 4.22Å; L205-I209 WeakPolarHBondContact O-CB 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.28Å; L205-I209 PolarHBondContact O-N 2.98Å; F206-I209 PolarHBondContact O-N 3.43Å; F206-I209 VanDerWaalsContact O-N 3.17Å; D207-I209 VanDerWaalsContact C-N 3.27Å; D207-I209 PolarHBondContact O-N 2.98Å; I209-F212 PolarHBondContact O-N 3.41Å; I209-L213 HydrophobicContact CG2-CD1 3.79Å; I209-L213 HydrophobicContact CG2-CG 4.31Å; I209-L213 VanDerWaalsContact O-CB 3.28Å; I209-L213 WeakPolarHBondContact O-CB 3.36Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.06Å; I209-L220 HydrophobicContact CG2-CD1 3.94Å
210V71.3Confident67.1Low44 Ų4452.6 Ų52.627%0.26731%0.313SS..Hα-helixtrans-62.8-49.5175.9170.40000109.9F206 D207 F212 L213 E214 L220F206-V210 HydrophobicContact CD1-CG2 3.92Å; F206-V210 HydrophobicContact CE1-CG2 3.31Å; F206-V210 HydrophobicContact CZ-CG2 3.67Å; F206-V210 WeakPolarHBondContact O-CG2 3.18Å; F206-V210 PolarHBondContact O-N 2.78Å; D207-V210 PolarHBondContact O-N 2.74Å; V210-F212 VanDerWaalsContact C-N 3.33Å; V210-F212 PolarHBondContact O-N 3.36Å; V210-L213 PolarHBondContact O-N 3.44Å; V210-E214 HydrophobicContact CG1-CG 4.4Å; V210-E214 WeakPolarHBondContact O-CG 3.29Å; V210-E214 PolarHBondContact O-N 2.98Å; V210-L220 HydrophobicContact CG2-CD1 4.44Å
211E74.7Confident66.6Low87 Ų8751.7 Ų51.741%0.40732%0.315SS..Hα-helixtrans-58.3-45.3177-176.7177.9-173.500111.6L174 N178 D207 L213 S215L174-E211 HydrophobicContact CD1-CG 4.33Å; L174-E211 HydrophobicContact CD2-CB 4.3Å; L174-E211 HydrophobicContact CD2-CG 4.25Å; N178-E211 PolarHBondContact ND2-OE2 3.28Å; D207-E211 WeakPolarHBondContact O-CB 3.49Å; D207-E211 PolarHBondContact O-N 3.34Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.83Å; E211-S215 PolarHBondContact O-N 2.89Å
212F73.4Confident66.1Low15 Ų1553.6 Ų53.67%0.06632%0.323CS..Hα-helixtrans-62-38.5174.4-173.4-94.6000111.8I161 N167 R170 F171 L174 S208 I209 V210 S215 V216I161-F212 HydrophobicContact CD1-CD1 4.15Å; I161-F212 HydrophobicContact CD1-CE1 4.32Å; I161-F212 HydrophobicContact CG1-CD1 4.12Å; I161-F212 HydrophobicContact CG1-CE1 3.79Å; N167-F212 HydrophobicContact CB-CZ 3.93Å; R170-F212 HydrophobicContact CB-CE2 4.18Å; F171-F212 HydrophobicContact CB-CD2 4.17Å; F171-F212 HydrophobicContact CB-CE2 4.17Å; F171-F212 HydrophobicContact CD2-CB 3.91Å; F171-F212 HydrophobicContact CD2-CD2 4.06Å; F171-F212 AromaticContact CD2-CG 3.92Å; F171-F212 HydrophobicContact CD2-CG 3.92Å; F171-F212 HydrophobicContact CE2-CB 4.3Å; L174-F212 HydrophobicContact CD2-CB 3.84Å; L174-F212 HydrophobicContact CD2-CD2 4.43Å; S208-F212 WeakPolarHBondContact O-CB 3.48Å; S208-F212 PolarHBondContact O-N 3.35Å; I209-F212 PolarHBondContact O-N 3.41Å; V210-F212 VanDerWaalsContact C-N 3.33Å; V210-F212 PolarHBondContact O-N 3.36Å; F212-S215 WeakPolarHBondContact O-CB 3.35Å; F212-S215 PolarHBondContact O-N 2.84Å; F212-S215 PolarHBondContact O-OG 3.18Å; F212-V216 HydrophobicContact CD1-CG2 4.1Å; F212-V216 HydrophobicContact CE1-CG2 3.95Å; F212-V216 WeakPolarHBondContact O-CG2 3.3Å; F212-V216 PolarHBondContact O-N 2.95Å
213L68.9Low65.6Low6 Ų655 Ų553%0.03133%0.332CS..Hα-helixtrans-75.8-33.6-177.8-78.3171.9000114.6V157 I209 V210 E211 S215 V216 N217 A218 L220V157-L213 HydrophobicContact CB-CD1 4.44Å; V157-L213 HydrophobicContact CB-CD2 4.47Å; V157-L213 HydrophobicContact CG1-CD1 3.66Å; V157-L213 HydrophobicContact CG1-CD2 3.74Å; V157-L213 HydrophobicContact CG1-CG 4.03Å; V157-L213 HydrophobicContact CG2-CD1 3.99Å; V157-L213 HydrophobicContact CG2-CD2 4.05Å; I209-L213 HydrophobicContact CG2-CD1 3.79Å; I209-L213 HydrophobicContact CG2-CG 4.31Å; I209-L213 VanDerWaalsContact O-CB 3.28Å; I209-L213 WeakPolarHBondContact O-CB 3.36Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.06Å; V210-L213 PolarHBondContact O-N 3.44Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.83Å; L213-S215 PolarHBondContact O-N 3.16Å; L213-V216 CarbonylContact O-C 3.31Å; L213-V216 VanDerWaalsContact O-C 3.31Å; L213-V216 WeakPolarHBondContact O-CA 3.45Å; L213-V216 PolarHBondContact O-N 3.33Å; L213-N217 PolarHBondContact O-N 3.15Å; L213-A218 HydrophobicContact CD2-CB 3.85Å; L213-A218 PolarHBondContact O-N 2.93Å; L213-A218 VanDerWaalsContact O-N 3.17Å; L213-L220 HydrophobicContact CD1-CD1 3.13Å; L213-L220 HydrophobicContact CD1-CD2 4.37Å; L213-L220 HydrophobicContact CD1-CG 3.58Å
214E69.2Low65.6Low143 Ų14354.4 Ų54.467%0.66833%0.327SS*.Hα-helixtrans-57.1-40.4169.1-73.5-18017300109.9V210 V216 N217V210-E214 HydrophobicContact CG1-CG 4.4Å; V210-E214 WeakPolarHBondContact O-CG 3.29Å; V210-E214 PolarHBondContact O-N 2.98Å; E214-V216 PolarHBondContact O-N 3.29Å; E214-N217 PolarHBondContact O-N 3.47Å
215S62.9Low65.5Low89 Ų8951.3 Ų51.362%0.62231%0.305SS*.THydrogen-bonded Turntrans-64.5-17.9174.789.80000114.4E211 F212 L213E211-S215 PolarHBondContact O-N 2.89Å; F212-S215 WeakPolarHBondContact O-CB 3.35Å; F212-S215 PolarHBondContact O-N 2.84Å; F212-S215 PolarHBondContact O-OG 3.18Å; L213-S215 PolarHBondContact O-N 3.16Å
216V55.2Low65.4Low84 Ų8455.7 Ų55.751%0.50932%0.322SS..THydrogen-bonded Turntrans-118.214178.6-1090000114F212 L213 E214F212-V216 HydrophobicContact CD1-CG2 4.1Å; F212-V216 HydrophobicContact CE1-CG2 3.95Å; F212-V216 WeakPolarHBondContact O-CG2 3.3Å; F212-V216 PolarHBondContact O-N 2.95Å; L213-V216 CarbonylContact O-C 3.31Å; L213-V216 VanDerWaalsContact O-C 3.31Å; L213-V216 WeakPolarHBondContact O-CA 3.45Å; L213-V216 PolarHBondContact O-N 3.33Å; E214-V216 PolarHBondContact O-N 3.29Å
217N52.9Low65.4Low162 Ų16255.2 Ų55.287%0.86632%0.319SS*.THydrogen-bonded Turntrans55.451.3174.7-154.828000114.3L213 E214L213-N217 PolarHBondContact O-N 3.15Å; E214-N217 PolarHBondContact O-N 3.47Å
218A56.2Low65.5Low32 Ų3250 Ų5026%0.26429%0.291SS..  trans-128.1139.2175.500000111.7L213L213-A218 HydrophobicContact CD2-CB 3.85Å; L213-A218 PolarHBondContact O-N 2.93Å; L213-A218 VanDerWaalsContact O-N 3.17Å
219A52.4Low65.3Low104 Ų10450.3 Ų50.386%0.8629%0.293SS*.  trans-98.914917800000112.4
220L58.4Low65.3Low42 Ų4253.8 Ų53.822%0.2231%0.312CS..  trans-125.6142173.3-78.6165000110.2A154 V157 F202 I209 V210 L213 I225A154-L220 HydrophobicContact CB-CD2 3.87Å; V157-L220 HydrophobicContact CG2-CD2 4.05Å; F202-L220 HydrophobicContact CE1-CD1 4.16Å; F202-L220 HydrophobicContact CZ-CD1 3.69Å; F202-L220 HydrophobicContact CZ-CD2 3.92Å; I209-L220 HydrophobicContact CG2-CD1 3.94Å; V210-L220 HydrophobicContact CG2-CD1 4.44Å; L213-L220 HydrophobicContact CD1-CD1 3.13Å; L213-L220 HydrophobicContact CD1-CD2 4.37Å; L213-L220 HydrophobicContact CD1-CG 3.58Å; L220-I225 HydrophobicContact CB-CD1 4.41Å; L220-I225 HydrophobicContact CD2-CD1 3.81Å
221G57.9Low65.5Low38 Ų3851.8 Ų51.839%0.39230%0.3SS..  trans-78.5117.516600000110.8I225G221-I225 WeakPolarHBondContact O-CD1 3.37Å
222H57.2Low65.6Low49 Ų4947.6 Ų47.623%0.22728%0.28CS..Hα-helixtrans-64.5-45.3-175.1-168.3-116.4000113.2F206 R226 E285F206-H222 AromaticContact CD1-NE2 3.97Å; F206-H222 AromaticContact CE1-CD2 3.1Å; F206-H222 WeakPolarHBondContact CE1-CD2 3.48Å; F206-H222 AromaticContact CE1-NE2 3.47Å; F206-H222 WeakPolarHBondContact CE1-NE2 3.49Å; F206-H222 AromaticContact CZ-CD2 3.23Å; F206-H222 WeakPolarHBondContact CZ-CD2 3.33Å; F206-H222 AromaticContact CZ-NE2 3.99Å; H222-R226 PolarHBondContact CE1-NH2 3.3Å; H222-R226 PolarHBondContact NE2-NH2 2.84Å; H222-R226 VanDerWaalsContact NE2-NH2 3.18Å; H222-E285 IonicContact CE1-OE2 3.95Å; H222-E285 PolarHBondContact CE1-OE2 3.07Å; H222-E285 VanDerWaalsContact CE1-OE2 3.25Å; H222-E285 IonicContact ND1-OE2 2.96Å; H222-E285 PolarHBondContact ND1-OE2 2.96Å
223C58.2Low65.6Low31 Ų3152.1 Ų52.121%0.20930%0.302CS..Hα-helixtrans-76-38.8-165.7-37.90000113I225 Y227 Y294C223-I225 VanDerWaalsContact C-N 3.33Å; C223-I225 PolarHBondContact O-N 3.49Å; C223-Y227 PolarHBondContact O-N 2.81Å; C223-Y294 VanDerWaalsContact CB-OH 3.29Å; C223-Y294 WeakPolarHBondContact CB-OH 3.49Å; C223-Y294 PolarHBondContact O-OH 3.35Å
224D68.6Low65.9Low25 Ų2555.3 Ų55.313%0.13432%0.315CS..Hα-helixtrans-69.9-31.4-174.5-65.2-23.2000112.6S151 L228 Y294S151-D224 WeakPolarHBondContact CB-OD2 3.4Å; S151-D224 VanDerWaalsContact OG-CB 3.26Å; S151-D224 WeakPolarHBondContact OG-CB 3.49Å; S151-D224 PolarHBondContact OG-OD2 2.87Å; D224-L228 VanDerWaalsContact O-CB 3.3Å; D224-L228 WeakPolarHBondContact O-CB 3.41Å; D224-L228 WeakPolarHBondContact O-CD1 2.81Å; D224-L228 WeakPolarHBondContact O-CG 3.24Å; D224-L228 PolarHBondContact O-N 3.32Å; D224-Y294 WeakPolarHBondContact CA-OH 3.43Å; D224-Y294 PolarHBondContact N-OH 3.04Å; D224-Y294 WeakPolarHBondContact OD1-CE1 3.28Å; D224-Y294 VanDerWaalsContact OD1-CZ 3.25Å; D224-Y294 PolarHBondContact OD1-OH 2.82Å
225I69.1Low66Low1 Ų148.5 Ų48.51%0.00528%0.283CS..Hα-helixtrans-71.7-42.7-175.9-65.9169.3000110.6A154 L199 F202 F206 L220 G221 C223 L228 S229A154-I225 HydrophobicContact CB-CD1 3.67Å; A154-I225 HydrophobicContact CB-CG1 4.02Å; L199-I225 HydrophobicContact CD2-CG2 4.29Å; F202-I225 HydrophobicContact CD1-CG2 3.64Å; F202-I225 HydrophobicContact CE1-CD1 3.73Å; F202-I225 HydrophobicContact CE1-CG2 3.94Å; F202-I225 HydrophobicContact CZ-CD1 4.18Å; F206-I225 HydrophobicContact CE2-CD1 4.1Å; L220-I225 HydrophobicContact CB-CD1 4.41Å; L220-I225 HydrophobicContact CD2-CD1 3.81Å; G221-I225 WeakPolarHBondContact O-CD1 3.37Å; C223-I225 VanDerWaalsContact C-N 3.33Å; C223-I225 PolarHBondContact O-N 3.49Å; I225-L228 PolarHBondContact O-N 2.97Å; I225-S229 WeakPolarHBondContact O-CB 3.33Å; I225-S229 PolarHBondContact O-N 3.26Å
226R69.9Low66.4Low94 Ų9444.5 Ų44.536%0.35526%0.255SS..Hα-helixtrans-62.8-48.7174.7-66.2-176.4-178.7-166.1-1.5110.7H222 L228 S229 D230H222-R226 PolarHBondContact CE1-NH2 3.3Å; H222-R226 PolarHBondContact NE2-NH2 2.84Å; H222-R226 VanDerWaalsContact NE2-NH2 3.18Å; R226-L228 PolarHBondContact O-N 3.49Å; R226-S229 WeakPolarHBondContact O-CB 3.43Å; R226-S229 PolarHBondContact O-N 3.42Å; R226-S229 VanDerWaalsContact O-N 3.17Å; R226-D230 PolarHBondContact O-N 2.92Å
227Y73.8Confident67.2Low3 Ų343 Ų431%0.01225%0.248CC..Hα-helixtrans-54.3-49.3174.2166.6-111.3000112.7C223 S229 D230 F231 I281 Y294 H297 L298C223-Y227 PolarHBondContact O-N 2.81Å; Y227-S229 VanDerWaalsContact C-N 3.34Å; Y227-S229 PolarHBondContact O-N 2.81Å; Y227-D230 PolarHBondContact O-N 3.44Å; Y227-F231 WeakPolarHBondContact O-CB 3.47Å; Y227-F231 PolarHBondContact O-N 3.13Å; Y227-I281 HydrophobicContact CD2-CD1 3.25Å; Y227-I281 HydrophobicContact CD2-CG1 3.77Å; Y227-I281 HydrophobicContact CE2-CD1 3.82Å; Y227-I281 HydrophobicContact CE2-CG1 4.39Å; Y227-I281 HydrophobicContact CG-CD1 4.02Å; Y227-Y294 AromaticContact CD1-CD1 3.47Å; Y227-Y294 HydrophobicContact CD1-CD1 3.47Å; Y227-Y294 VanDerWaalsContact CD1-CD1 3.47Å; Y227-Y294 AromaticContact CD1-CE1 3.72Å; Y227-Y294 HydrophobicContact CD1-CE1 3.72Å; Y227-Y294 HydrophobicContact CD1-CG 4.06Å; Y227-Y294 HydrophobicContact CD2-CD1 4.32Å; Y227-Y294 HydrophobicContact CD2-CD2 4.41Å; Y227-Y294 HydrophobicContact CD2-CG 4.07Å; Y227-Y294 AromaticContact CE1-CD1 3.71Å; Y227-Y294 HydrophobicContact CE1-CD1 3.71Å; Y227-Y294 HydrophobicContact CE1-CE1 4.37Å; Y227-Y294 HydrophobicContact CE1-CG 4.25Å; Y227-Y294 HydrophobicContact CE2-CD1 4.5Å; Y227-Y294 HydrophobicContact CE2-CG 4.23Å; Y227-Y294 AromaticContact CG-CD1 3.78Å; Y227-Y294 HydrophobicContact CG-CD1 3.78Å; Y227-Y294 HydrophobicContact CG-CD2 4.29Å; Y227-Y294 HydrophobicContact CG-CE1 4.01Å; Y227-Y294 HydrophobicContact CG-CE2 4.43Å; Y227-Y294 AromaticContact CG-CG 3.95Å; Y227-Y294 HydrophobicContact CG-CG 3.95Å; Y227-H297 AromaticContact CE1-ND1 3.52Å; Y227-H297 AromaticContact CZ-ND1 3.55Å; Y227-H297 PolarHBondContact OH-ND1 3.43Å; Y227-L298 HydrophobicContact CE2-CD1 4.41Å; Y227-L298 HydrophobicContact CE2-CD2 4.3Å; Y227-L298 HydrophobicContact CE2-CG 4.38Å; Y227-L298 VanDerWaalsContact OH-CD2 3.24Å; Y227-L298 WeakPolarHBondContact OH-CD2 3.36Å; Y227-L298 VanDerWaalsContact OH-CG 3.31Å; Y227-L298 WeakPolarHBondContact OH-CG 3.49Å
228L74.3Confident68Low0 Ų035.9 Ų35.90%021%0.21CC..Hα-helixtrans-64.9-39.1179.4-73.3169.3000111.6P148 L152 L199 D224 I225 R226 F231 F232P148-L228 HydrophobicContact CB-CD1 4.5Å; P148-L228 HydrophobicContact CB-CD2 4.22Å; P148-L228 WeakPolarHBondContact O-CD1 3.47Å; L152-L228 HydrophobicContact CD2-CD1 4Å; L152-L228 HydrophobicContact CG-CD1 4.02Å; L199-L228 HydrophobicContact CD1-CB 3.99Å; D224-L228 VanDerWaalsContact O-CB 3.3Å; D224-L228 WeakPolarHBondContact O-CB 3.41Å; D224-L228 WeakPolarHBondContact O-CD1 2.81Å; D224-L228 WeakPolarHBondContact O-CG 3.24Å; D224-L228 PolarHBondContact O-N 3.32Å; I225-L228 PolarHBondContact O-N 2.97Å; R226-L228 PolarHBondContact O-N 3.49Å; L228-F231 PolarHBondContact O-N 3.44Å; L228-F232 HydrophobicContact CB-CD2 4.33Å; L228-F232 HydrophobicContact CB-CE2 4.38Å; L228-F232 HydrophobicContact CD2-CE2 4.15Å; L228-F232 WeakPolarHBondContact O-CB 3.43Å; L228-F232 WeakPolarHBondContact O-CD2 3.49Å; L228-F232 PolarHBondContact O-N 2.67Å
229S72.4Confident68.5Low7 Ų734.5 Ų34.55%0.04920%0.198CC..Hα-helixtrans-57.1-52.6175.5-175.10000111.2C203 I225 R226 Y227 F231 F232 E233C203-S229 WeakPolarHBondContact SG-CB 3.38Å; I225-S229 WeakPolarHBondContact O-CB 3.33Å; I225-S229 PolarHBondContact O-N 3.26Å; R226-S229 WeakPolarHBondContact O-CB 3.43Å; R226-S229 PolarHBondContact O-N 3.42Å; R226-S229 VanDerWaalsContact O-N 3.17Å; Y227-S229 VanDerWaalsContact C-N 3.34Å; Y227-S229 PolarHBondContact O-N 2.81Å; S229-F231 VanDerWaalsContact C-N 3.33Å; S229-F231 PolarHBondContact O-N 3.19Å; S229-F232 PolarHBondContact O-N 2.9Å; S229-E233 WeakPolarHBondContact O-CB 3.37Å; S229-E233 PolarHBondContact O-N 2.68Å
230D73.9Confident69.2Low73 Ų7335.7 Ų35.739%0.3918%0.184SC..Hα-helixtrans-60.4-43.9178.4-67.9-11.7000111.4R226 Y227 E233 K234R226-D230 PolarHBondContact O-N 2.92Å; Y227-D230 PolarHBondContact O-N 3.44Å; D230-E233 PolarHBondContact O-N 2.82Å; D230-K234 WeakPolarHBondContact O-CB 3.27Å; D230-K234 PolarHBondContact O-N 3.46Å
231F76.8Confident69.6Low2 Ų236 Ų361%0.00919%0.192CC..Hα-helixtrans-57.7-51.9176.3168.8-103.5000111.9Y227 L228 S229 K234 M235 Y279 L298 V301Y227-F231 WeakPolarHBondContact O-CB 3.47Å; Y227-F231 PolarHBondContact O-N 3.13Å; L228-F231 PolarHBondContact O-N 3.44Å; S229-F231 VanDerWaalsContact C-N 3.33Å; S229-F231 PolarHBondContact O-N 3.19Å; F231-K234 PolarHBondContact O-N 2.99Å; F231-M235 HydrophobicContact CD2-CG 4.39Å; F231-M235 HydrophobicContact CE1-CG 4.25Å; F231-M235 HydrophobicContact CE2-CG 3.9Å; F231-M235 HydrophobicContact CE2-SD 4.35Å; F231-M235 HydrophobicContact CZ-CG 3.83Å; F231-M235 HydrophobicContact CZ-SD 4.41Å; F231-M235 WeakPolarHBondContact O-CG 3.42Å; F231-M235 PolarHBondContact O-N 2.83Å; F231-Y279 HydrophobicContact CD2-CE1 4.36Å; F231-L298 HydrophobicContact CD2-CD2 4.37Å; F231-V301 HydrophobicContact CE2-CG1 4Å; F231-V301 HydrophobicContact CE2-CG2 3.98Å; F231-V301 HydrophobicContact CZ-CG1 4.39Å; F231-V301 HydrophobicContact CZ-CG2 3.99Å
232F75.3Confident69.8Low0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-70.2-33.8-179-79.4-70.9000112.3A141 L152 W192 G196 L199 L228 S229 K234 M235 N236A141-F232 HydrophobicContact CB-CE1 4.03Å; L152-F232 HydrophobicContact CD2-CE2 4.05Å; L152-F232 HydrophobicContact CD2-CZ 4.47Å; W192-F232 HydrophobicContact CB-CE1 4.31Å; W192-F232 HydrophobicContact CE3-CD1 4.26Å; G196-F232 VanDerWaalsContact CA-CB 3.45Å; L199-F232 HydrophobicContact CD1-CD2 3.3Å; L199-F232 HydrophobicContact CD1-CE2 3.59Å; L199-F232 HydrophobicContact CD1-CG 4.32Å; L228-F232 HydrophobicContact CB-CD2 4.33Å; L228-F232 HydrophobicContact CB-CE2 4.38Å; L228-F232 HydrophobicContact CD2-CE2 4.15Å; L228-F232 WeakPolarHBondContact O-CB 3.43Å; L228-F232 WeakPolarHBondContact O-CD2 3.49Å; L228-F232 PolarHBondContact O-N 2.67Å; S229-F232 PolarHBondContact O-N 2.9Å; F232-K234 VanDerWaalsContact C-N 3.34Å; F232-M235 PolarHBondContact O-N 2.98Å; F232-N236 WeakPolarHBondContact O-CB 3.44Å; F232-N236 PolarHBondContact O-N 2.88Å; F232-N236 PolarHBondContact O-ND2 3.14Å
233E74.5Confident69.9Low110 Ų11036.2 Ų36.251%0.51418%0.181SC..Hα-helixtrans-61.1-45.7172.5-177172.3-169.200110.7V200 S229 D230 M235 N236 S237V200-E233 HydrophobicContact CG2-CB 4.48Å; S229-E233 WeakPolarHBondContact O-CB 3.37Å; S229-E233 PolarHBondContact O-N 2.68Å; D230-E233 PolarHBondContact O-N 2.82Å; E233-M235 PolarHBondContact O-N 3.1Å; E233-N236 WeakPolarHBondContact O-CB 3.29Å; E233-N236 PolarHBondContact O-N 3.16Å; E233-S237 WeakPolarHBondContact O-CB 3.05Å; E233-S237 PolarHBondContact O-N 3.32Å
234K73.9Confident70.1Confident72 Ų7242.4 Ų42.431%0.31320%0.204SC..Hα-helixtrans-62.6-45.4177.4-166.471.5-176.1-168.50111.7D230 F231 F232 N236 S237 H238 L274 M277 Y279D230-K234 WeakPolarHBondContact O-CB 3.27Å; D230-K234 PolarHBondContact O-N 3.46Å; F231-K234 PolarHBondContact O-N 2.99Å; F232-K234 VanDerWaalsContact C-N 3.34Å; K234-N236 VanDerWaalsContact C-N 3.32Å; K234-N236 PolarHBondContact O-N 3.41Å; K234-S237 PolarHBondContact O-N 3.34Å; K234-S237 PolarHBondContact O-OG 3.11Å; K234-H238 PolarHBondContact O-N 2.82Å; K234-L274 HydrophobicContact CG-CD1 4.44Å; K234-M277 WeakPolarHBondContact CE-SD 3.49Å; K234-M277 PolarHBondContact NZ-SD 3.42Å; K234-Y279 HydrophobicContact CB-CE1 4.09Å; K234-Y279 HydrophobicContact CG-CE1 3.96Å
235M72.1Confident69.6Low0 Ų043.5 Ų43.50%021%0.206CC..Hα-helixtrans-60-41.5174.3-69.4-67.5-7200111.8H137 V140 W192 F231 F232 E233 H238 I239 L274H137-M235 VanDerWaalsContact ND1-CE 3.33Å; H137-M235 WeakPolarHBondContact ND1-CE 3.24Å; V140-M235 HydrophobicContact CB-CE 4.41Å; V140-M235 HydrophobicContact CG1-CE 4.05Å; W192-M235 HydrophobicContact CE3-CB 4.24Å; W192-M235 HydrophobicContact CH2-CB 4.43Å; W192-M235 HydrophobicContact CZ3-CB 3.6Å; F231-M235 HydrophobicContact CD2-CG 4.39Å; F231-M235 HydrophobicContact CE1-CG 4.25Å; F231-M235 HydrophobicContact CE2-CG 3.9Å; F231-M235 HydrophobicContact CE2-SD 4.35Å; F231-M235 HydrophobicContact CZ-CG 3.83Å; F231-M235 HydrophobicContact CZ-SD 4.41Å; F231-M235 WeakPolarHBondContact O-CG 3.42Å; F231-M235 PolarHBondContact O-N 2.83Å; F232-M235 PolarHBondContact O-N 2.98Å; E233-M235 PolarHBondContact O-N 3.1Å; M235-H238 PolarHBondContact O-N 3.32Å; M235-I239 PolarHBondContact O-N 2.91Å; M235-L274 HydrophobicContact SD-CD2 4.12Å
236N71.1Confident68.9Low5 Ų544 Ų443%0.02721%0.21CC..Hα-helixtrans-63.9-41.4176.8-81-29.1000112W192 L193 F232 E233 K234 H238 I239 K240W192-N236 HydrophobicContact CH2-CB 4.46Å; W192-N236 WeakPolarHBondContact CH2-OD1 3.29Å; W192-N236 HydrophobicContact CZ3-CB 4.32Å; W192-N236 WeakPolarHBondContact CZ3-OD1 3.38Å; L193-N236 WeakPolarHBondContact CD1-OD1 3.27Å; F232-N236 WeakPolarHBondContact O-CB 3.44Å; F232-N236 PolarHBondContact O-N 2.88Å; F232-N236 PolarHBondContact O-ND2 3.14Å; E233-N236 WeakPolarHBondContact O-CB 3.29Å; E233-N236 PolarHBondContact O-N 3.16Å; K234-N236 VanDerWaalsContact C-N 3.32Å; K234-N236 PolarHBondContact O-N 3.41Å; N236-H238 VanDerWaalsContact C-N 3.32Å; N236-H238 PolarHBondContact O-N 3.07Å; N236-I239 PolarHBondContact O-N 2.82Å; N236-K240 WeakPolarHBondContact O-CG 3.31Å; N236-K240 PolarHBondContact O-N 3.19Å
237S71.4Confident68Low52 Ų5243.4 Ų43.436%0.36422%0.22SC..Hα-helixtrans-61.7-40.5178.776.60000111.8E233 K234 K240 A241E233-S237 WeakPolarHBondContact O-CB 3.05Å; E233-S237 PolarHBondContact O-N 3.32Å; K234-S237 PolarHBondContact O-N 3.34Å; K234-S237 PolarHBondContact O-OG 3.11Å; S237-K240 WeakPolarHBondContact O-CB 3.44Å; S237-K240 PolarHBondContact O-N 3.23Å; S237-A241 PolarHBondContact O-N 3.15Å
238H69.6Low66.9Low14 Ų1446.2 Ų46.27%0.06524%0.24CC..Hα-helixtrans-62-47.8176.5-170.9159.3000110.4K234 M235 N236 K240 A241 L242 Y271K234-H238 PolarHBondContact O-N 2.82Å; M235-H238 PolarHBondContact O-N 3.32Å; N236-H238 VanDerWaalsContact C-N 3.32Å; N236-H238 PolarHBondContact O-N 3.07Å; H238-K240 VanDerWaalsContact C-N 3.3Å; H238-K240 PolarHBondContact O-N 3.08Å; H238-A241 WeakPolarHBondContact O-CB 3.38Å; H238-A241 PolarHBondContact O-N 3.37Å; H238-A241 VanDerWaalsContact O-N 3.09Å; H238-L242 PolarHBondContact O-N 3.33Å; H238-Y271 AromaticContact CE1-CD1 3.47Å; H238-Y271 VanDerWaalsContact CE1-CD1 3.47Å; H238-Y271 WeakPolarHBondContact CE1-CD1 3.5Å; H238-Y271 AromaticContact CE1-CE1 3.38Å; H238-Y271 WeakPolarHBondContact CE1-CE1 3.39Å; H238-Y271 AromaticContact CE1-CG 3.95Å; H238-Y271 AromaticContact CE1-CZ 3.79Å; H238-Y271 AromaticContact NE2-CE1 3.83Å; H238-Y271 AromaticContact NE2-CZ 3.74Å
239I67.1Low65.7Low3 Ų349.5 Ų49.52%0.01526%0.261CS..Hα-helixtrans-63.9-36.8178.1-67-155.9000111.9H137 W192 M235 N236 A241 L242 R243 T358H137-I239 HydrophobicContact CB-CD1 3.55Å; W192-I239 HydrophobicContact CH2-CB 4.05Å; W192-I239 HydrophobicContact CH2-CD1 3.51Å; W192-I239 HydrophobicContact CH2-CG1 3.76Å; W192-I239 HydrophobicContact CZ2-CB 4.18Å; W192-I239 HydrophobicContact CZ2-CD1 3.07Å; W192-I239 HydrophobicContact CZ2-CG1 3.82Å; W192-I239 HydrophobicContact CZ2-CG2 4.43Å; M235-I239 PolarHBondContact O-N 2.91Å; N236-I239 PolarHBondContact O-N 2.82Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.36Å; I239-L242 PolarHBondContact O-N 3.29Å; I239-R243 HydrophobicContact CG2-CG 4.48Å; I239-R243 VanDerWaalsContact O-CG 3.24Å; I239-R243 WeakPolarHBondContact O-CG 3.41Å; I239-R243 PolarHBondContact O-N 3.49Å; I239-T358 HydrophobicContact CG2-CG2 3.61Å
240K68.5Low64.5Low129 Ų12950 Ų5056%0.56126%0.264SS*.Hα-helixtrans-61.8-40.2172.7-71.5173.7-175.9174.80112.1N236 S237 H238 R243 K244N236-K240 WeakPolarHBondContact O-CG 3.31Å; N236-K240 PolarHBondContact O-N 3.19Å; S237-K240 WeakPolarHBondContact O-CB 3.44Å; S237-K240 PolarHBondContact O-N 3.23Å; H238-K240 VanDerWaalsContact C-N 3.3Å; H238-K240 PolarHBondContact O-N 3.08Å; K240-R243 WeakPolarHBondContact O-CB 3.25Å; K240-R243 PolarHBondContact O-N 3.31Å; K240-K244 PolarHBondContact O-N 3.15Å
241A65.7Low63.1Low48 Ų4851.1 Ų51.140%0.39727%0.267SS..Hα-helixtrans-62.8-46.2175.700000111.6S237 H238 I239 R243 K244 W245S237-A241 PolarHBondContact O-N 3.15Å; H238-A241 WeakPolarHBondContact O-CB 3.38Å; H238-A241 PolarHBondContact O-N 3.37Å; H238-A241 VanDerWaalsContact O-N 3.09Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.36Å; A241-R243 VanDerWaalsContact C-N 3.32Å; A241-R243 PolarHBondContact O-N 2.82Å; A241-K244 PolarHBondContact O-N 3.5Å; A241-W245 WeakPolarHBondContact O-CB 3.27Å; A241-W245 PolarHBondContact O-N 3.09Å
242L62.5Low61.5Low21 Ų2153.7 Ų53.711%0.1128%0.284CS..Hα-helixtrans-61.5-37.3175.2-66.4171.9000112.5I133 H238 I239 W245 S246 I267I133-L242 HydrophobicContact CG2-CD1 3.97Å; H238-L242 PolarHBondContact O-N 3.33Å; I239-L242 PolarHBondContact O-N 3.29Å; L242-W245 PolarHBondContact O-N 3.49Å; L242-S246 PolarHBondContact O-N 3.48Å; L242-S246 PolarHBondContact O-OG 3.19Å; L242-I267 HydrophobicContact CD2-CD1 4.37Å; L242-I267 HydrophobicContact CD2-CG1 3.73Å
243R60.1Low59.7Low70 Ų7058.9 Ų58.926%0.26432%0.321SS..Hα-helixtrans-61.9-52.2173.8-72.5172-167.1-144.1-16.7111.8I239 K240 A241 W245 S246 S247 T358 E362I239-R243 HydrophobicContact CG2-CG 4.48Å; I239-R243 VanDerWaalsContact O-CG 3.24Å; I239-R243 WeakPolarHBondContact O-CG 3.41Å; I239-R243 PolarHBondContact O-N 3.49Å; K240-R243 WeakPolarHBondContact O-CB 3.25Å; K240-R243 PolarHBondContact O-N 3.31Å; A241-R243 VanDerWaalsContact C-N 3.32Å; A241-R243 PolarHBondContact O-N 2.82Å; R243-W245 PolarHBondContact O-N 3.24Å; R243-S246 WeakPolarHBondContact CA-OG 3.34Å; R243-S246 PolarHBondContact O-N 3.18Å; R243-S246 PolarHBondContact O-OG 3.42Å; R243-S247 PolarHBondContact O-N 2.98Å; R243-S247 PolarHBondContact O-OG 3.42Å; R243-T358 WeakPolarHBondContact CD-OG1 3.45Å; R243-T358 HydrophobicContact CG-CG2 3.88Å; R243-T358 WeakPolarHBondContact CG-OG1 3.48Å; R243-T358 PolarHBondContact NE-OG1 3.25Å; R243-T358 VanDerWaalsContact NH2-CB 3.29Å; R243-T358 PolarHBondContact NH2-OG1 2.93Å; R243-T358 VanDerWaalsContact NH2-OG1 3.14Å; R243-E362 IonicContact CZ-OE2 3.25Å; R243-E362 IonicContact NH1-OE2 2.91Å; R243-E362 IonicContact NH2-OE1 3.49Å; R243-E362 IonicContact NH2-OE2 3.55Å; R243-E362 PolarHBondContact NH2-OE2 3.24Å
244K61.2Low58Low162 Ų16259.7 Ų59.770%0.70432%0.324SS*.Hα-helixtrans-58.5-38.7179.9-173.2178.4179.7-177.10111.2K240 A241 S247K240-K244 PolarHBondContact O-N 3.15Å; A241-K244 PolarHBondContact O-N 3.5Å; K244-S247 PolarHBondContact O-N 2.97Å; K244-S247 PolarHBondContact O-OG 3.45Å
245W58.3Low56.5Low48 Ų4859.8 Ų59.818%0.18233%0.332CS..Hα-helixtrans-68.8-44.7178.6177.275000113.1A241 L242 R243 S247 C248 T263 I267 L352A241-W245 WeakPolarHBondContact O-CB 3.27Å; A241-W245 PolarHBondContact O-N 3.09Å; L242-W245 PolarHBondContact O-N 3.49Å; R243-W245 PolarHBondContact O-N 3.24Å; W245-S247 PolarHBondContact O-N 3.1Å; W245-S247 VanDerWaalsContact O-N 3.11Å; W245-C248 WeakPolarHBondContact O-CB 3.18Å; W245-C248 PolarHBondContact O-N 2.81Å; W245-T263 HydrophobicContact CD2-CG2 3.18Å; W245-T263 HydrophobicContact CE3-CG2 3.37Å; W245-T263 HydrophobicContact CG-CG2 4.04Å; W245-T263 VanDerWaalsContact CH2-CB 3.41Å; W245-T263 HydrophobicContact CH2-CG2 3.1Å; W245-T263 VanDerWaalsContact CH2-OG1 3.23Å; W245-T263 WeakPolarHBondContact CH2-OG1 2.97Å; W245-T263 HydrophobicContact CZ2-CG2 2.98Å; W245-T263 WeakPolarHBondContact CZ2-OG1 3.49Å; W245-T263 HydrophobicContact CZ3-CG2 3.33Å; W245-I267 HydrophobicContact CZ3-CD1 4.38Å; W245-L352 HydrophobicContact CH2-CB 4.32Å; W245-L352 HydrophobicContact CH2-CD2 3.26Å; W245-L352 HydrophobicContact CH2-CG 3.58Å; W245-L352 HydrophobicContact CZ2-CD1 4.49Å; W245-L352 HydrophobicContact CZ2-CD2 3.05Å; W245-L352 HydrophobicContact CZ2-CG 3.57Å; W245-L352 HydrophobicContact CZ3-CD2 4.35Å
246S54Low55Low10 Ų1068.2 Ų68.27%0.0737%0.372CS..Hα-helixtrans-61.4-19.8176.444.90000113.7R56 L242 R243R56-S246 PolarHBondContact NH2-O 2.91Å; L242-S246 PolarHBondContact O-N 3.48Å; L242-S246 PolarHBondContact O-OG 3.19Å; R243-S246 WeakPolarHBondContact CA-OG 3.34Å; R243-S246 PolarHBondContact O-N 3.18Å; R243-S246 PolarHBondContact O-OG 3.42Å
247S51.8Low53.5Low82 Ų8271 Ų7157%0.57339%0.392SS*.THydrogen-bonded Turntrans-92.20.6174.655.40000115.3R243 K244 W245R243-S247 PolarHBondContact O-N 2.98Å; R243-S247 PolarHBondContact O-OG 3.42Å; K244-S247 PolarHBondContact O-N 2.97Å; K244-S247 PolarHBondContact O-OG 3.45Å; W245-S247 PolarHBondContact O-N 3.1Å; W245-S247 VanDerWaalsContact O-N 3.11Å
248C51.1Low52Low63 Ų6373.3 Ų73.343%0.42640%0.397SS..SBendtrans-70.5129.8179-81.40000111.3W245 V250W245-C248 WeakPolarHBondContact O-CB 3.18Å; W245-C248 PolarHBondContact O-N 2.81Å; C248-V250 PolarHBondContact O-N 3.42Å
249P47.4Very low50.8Low69 Ų6976.6 Ų76.645%0.44841%0.411SS..  trans-56.5136.7174.6-25.233.9000111.5D64 Q251D64-P249 WeakPolarHBondContact OD1-CB 3.33Å; P249-Q251 HydrophobicContact CB-CG 4.42Å; P249-Q251 PolarHBondContact O-N 2.89Å
250V49.1Very low49.6Very low17 Ų1779.4 Ų79.410%0.10343%0.43CS..  trans-83.473.1173.9-173.60000107.4M65 C248 S252 W345M65-V250 HydrophobicContact CG-CG2 4.04Å; M65-V250 HydrophobicContact SD-CG2 4.42Å; C248-V250 PolarHBondContact O-N 3.42Å; V250-S252 PolarHBondContact O-N 2.75Å; V250-W345 HydrophobicContact CG1-CH2 3.28Å; V250-W345 HydrophobicContact CG1-CZ2 3.2Å
251Q43.8Very low48.6Very low97 Ų9778.1 Ų78.145%0.45343%0.425SS..  trans-57.8124.8-179.9-72178.1-29.600110.3E63 P249 H258E63-Q251 WeakPolarHBondContact OE2-CA 3.08Å; P249-Q251 HydrophobicContact CB-CG 4.42Å; P249-Q251 PolarHBondContact O-N 2.89Å; Q251-H258 HydrophobicContact CB-CB 4.34Å; Q251-H258 PolarHBondContact OE1-CD2 3.4Å; Q251-H258 VanDerWaalsContact OE1-CG 3.27Å; Q251-H258 PolarHBondContact OE1-NE2 2.93Å
252S43.3Very low47.9Very low55 Ų5577.6 Ų77.639%0.38542%0.416SS..  trans-127.8126.8173.783.30000112.4E63 V250E63-S252 PolarHBondContact OE1-N 3.29Å; E63-S252 PolarHBondContact OE1-OG 3.26Å; E63-S252 PolarHBondContact OE2-N 2.99Å; V250-S252 PolarHBondContact O-N 2.75Å
253S37.8Very low47.1Very low109 Ų10977 Ų7776%0.76241%0.413SS*.SBendtrans-179.7-11.3151.336.20000113.1
254H37.4Very low46.6Very low127 Ų12775.6 Ų75.659%0.58841%0.409SS*.  trans-136.7124.1172.1-83.9-66.1000111.8Q256 S257H254-Q256 PolarHBondContact O-N 3.14Å; H254-S257 VanDerWaalsContact CB-OG 3.3Å; H254-S257 WeakPolarHBondContact CB-OG 3.3Å; H254-S257 PolarHBondContact O-N 3.48Å
255P43.5Very low45.8Very low74 Ų7468.2 Ų68.248%0.48138%0.377SS..THydrogen-bonded Turntrans-56.2-17174.1-24.232.7000114.3V341P255-V341 HydrophobicContact CB-CG1 4.29Å
256Q40.8Very low45.5Very low177 Ų17768.7 Ų68.783%0.82739%0.385SS*.THydrogen-bonded Turntrans-109.5-23.8-171.9-67.9178.4-11.700114.7H254H254-Q256 PolarHBondContact O-N 3.14Å
257S38.3Very low45.6Very low65 Ų6568.4 Ų68.446%0.45538%0.383SS..THydrogen-bonded Turntrans-96.1-15.6-171.666.10000114.9H254H254-S257 VanDerWaalsContact CB-OG 3.3Å; H254-S257 WeakPolarHBondContact CB-OG 3.3Å; H254-S257 PolarHBondContact O-N 3.48Å
258H41.8Very low45.7Very low100 Ų10066 Ų6646%0.46336%0.364SS..  trans-145.678.7176.6-59.496.4000108.3Q251 P260Q251-H258 HydrophobicContact CB-CB 4.34Å; Q251-H258 PolarHBondContact OE1-CD2 3.4Å; Q251-H258 VanDerWaalsContact OE1-CG 3.27Å; Q251-H258 PolarHBondContact OE1-NE2 2.93Å; H258-P260 WeakPolarHBondContact O-CD 3.11Å
259F43.9Very low45.7Very low82 Ų8267.4 Ų67.436%0.3637%0.366SS..  trans-68102.4151.7-100.2-97.2000106.1Q261 L324F259-Q261 HydrophobicContact CB-CG 3.86Å; F259-Q261 PolarHBondContact O-N 2.79Å; F259-L324 HydrophobicContact CD1-CD1 4.27Å; F259-L324 HydrophobicContact CD1-CD2 3.69Å; F259-L324 HydrophobicContact CD2-CD2 4.25Å; F259-L324 HydrophobicContact CE1-CD1 3.47Å; F259-L324 VanDerWaalsContact CE1-CD1 3.47Å; F259-L324 HydrophobicContact CE1-CD2 3.32Å; F259-L324 HydrophobicContact CE1-CG 3.99Å; F259-L324 HydrophobicContact CE2-CD2 3.92Å; F259-L324 HydrophobicContact CG-CD2 4.15Å; F259-L324 HydrophobicContact CZ-CD1 4Å; F259-L324 HydrophobicContact CZ-CD2 3.46Å; F259-L324 VanDerWaalsContact CZ-CD2 3.46Å; F259-L324 HydrophobicContact CZ-CG 4.22Å
260P42.3Very low46.4Very low63 Ų6366.7 Ų66.741%0.40936%0.358SS..  trans-70.592158.84.517.5000103.3H258 L262 W345H258-P260 WeakPolarHBondContact O-CD 3.11Å; P260-L262 PolarHBondContact O-N 3.48Å; P260-W345 HydrophobicContact CG-CH2 4.41Å; P260-W345 HydrophobicContact CG-CZ3 4.16Å
261Q46.3Very low47.1Very low101 Ų10166 Ų6647%0.47235%0.354SS..  trans-57.1106.3-172.4-73.4174.5-3.800109.3F259F259-Q261 HydrophobicContact CB-CG 3.86Å; F259-Q261 PolarHBondContact O-N 2.79Å
262L50.3Low47.8Very low38 Ų3864.7 Ų64.720%0.19935%0.353CS..  trans69.556.5134.1-50.6173.6000116.9P260 K264 V265 V266 V321P260-L262 PolarHBondContact O-N 3.48Å; L262-K264 VanDerWaalsContact C-N 3.26Å; L262-K264 PolarHBondContact O-N 2.95Å; L262-K264 VanDerWaalsContact O-N 3.16Å; L262-V265 HydrophobicContact CB-CB 3.66Å; L262-V265 HydrophobicContact CB-CG2 3.8Å; L262-V265 HydrophobicContact CD1-CB 4.26Å; L262-V265 HydrophobicContact CD1-CG1 4.45Å; L262-V265 HydrophobicContact CD1-CG2 4.27Å; L262-V265 HydrophobicContact CD2-CG2 4.22Å; L262-V265 HydrophobicContact CG-CB 4.5Å; L262-V265 HydrophobicContact CG-CG2 4.34Å; L262-V265 CarbonylContact O-C 3.6Å; L262-V265 WeakPolarHBondContact O-CA 3.39Å; L262-V265 WeakPolarHBondContact O-CB 3.44Å; L262-V265 PolarHBondContact O-N 3Å; L262-V266 WeakPolarHBondContact O-CG2 3.44Å; L262-V266 PolarHBondContact O-N 3.42Å; L262-V321 WeakPolarHBondContact CD1-O 3.41Å; L262-V321 HydrophobicContact CD2-CB 4.45Å; L262-V321 HydrophobicContact CD2-CG1 3.34Å; L262-V321 WeakPolarHBondContact CD2-O 3.1Å
263T46.8Very low48.7Very low9 Ų967.9 Ų67.96%0.05536%0.357CS..Hα-helixtrans-61.9-34.3-177.5-14.90000116.1W245 V265 V266 I267W245-T263 HydrophobicContact CD2-CG2 3.18Å; W245-T263 HydrophobicContact CE3-CG2 3.37Å; W245-T263 HydrophobicContact CG-CG2 4.04Å; W245-T263 VanDerWaalsContact CH2-CB 3.41Å; W245-T263 HydrophobicContact CH2-CG2 3.1Å; W245-T263 VanDerWaalsContact CH2-OG1 3.23Å; W245-T263 WeakPolarHBondContact CH2-OG1 2.97Å; W245-T263 HydrophobicContact CZ2-CG2 2.98Å; W245-T263 WeakPolarHBondContact CZ2-OG1 3.49Å; W245-T263 HydrophobicContact CZ3-CG2 3.33Å; T263-V265 PolarHBondContact O-N 3.33Å; T263-V266 PolarHBondContact O-N 2.92Å; T263-I267 HydrophobicContact CG2-CD1 3.57Å; T263-I267 HydrophobicContact CG2-CG1 3.86Å; T263-I267 WeakPolarHBondContact O-CA 3.39Å; T263-I267 WeakPolarHBondContact O-CB 2.89Å; T263-I267 WeakPolarHBondContact O-CD1 3.17Å; T263-I267 WeakPolarHBondContact O-CG1 3.09Å; T263-I267 PolarHBondContact O-N 3.37Å
264K49.7Very low49.8Very low40 Ų4062.9 Ų62.917%0.17432%0.322CS..Hα-helixtrans-56-48171.7-116.1172.5-179.5174.60110.2L262 I268 V317 L351L262-K264 VanDerWaalsContact C-N 3.26Å; L262-K264 PolarHBondContact O-N 2.95Å; L262-K264 VanDerWaalsContact O-N 3.16Å; K264-I268 WeakPolarHBondContact O-CB 3.15Å; K264-I268 VanDerWaalsContact O-CD1 3.27Å; K264-I268 WeakPolarHBondContact O-CD1 3.14Å; K264-I268 WeakPolarHBondContact O-CG1 3.16Å; K264-I268 PolarHBondContact O-N 3.16Å; K264-V317 HydrophobicContact CB-CG2 4.31Å; K264-V317 HydrophobicContact CD-CG2 4.04Å; K264-V317 HydrophobicContact CG-CG2 4.47Å; K264-L351 HydrophobicContact CB-CD1 4.42Å; K264-L351 HydrophobicContact CD-CD1 3.17Å; K264-L351 HydrophobicContact CD-CD2 4.21Å; K264-L351 HydrophobicContact CD-CG 4.23Å; K264-L351 HydrophobicContact CG-CD1 3.57Å; K264-L351 HydrophobicContact CG-CD2 4.18Å; K264-L351 HydrophobicContact CG-CG 4.37Å
265V45.1Very low50.9Low7 Ų758.9 Ų58.94%0.04230%0.304CS..Hα-helixtrans-71.2-39.1-179-170.80000110.8L262 T263 I269 V317 V321 V322L262-V265 HydrophobicContact CB-CB 3.66Å; L262-V265 HydrophobicContact CB-CG2 3.8Å; L262-V265 HydrophobicContact CD1-CB 4.26Å; L262-V265 HydrophobicContact CD1-CG1 4.45Å; L262-V265 HydrophobicContact CD1-CG2 4.27Å; L262-V265 HydrophobicContact CD2-CG2 4.22Å; L262-V265 HydrophobicContact CG-CB 4.5Å; L262-V265 HydrophobicContact CG-CG2 4.34Å; L262-V265 CarbonylContact O-C 3.6Å; L262-V265 WeakPolarHBondContact O-CA 3.39Å; L262-V265 WeakPolarHBondContact O-CB 3.44Å; L262-V265 PolarHBondContact O-N 3Å; T263-V265 PolarHBondContact O-N 3.33Å; V265-I269 HydrophobicContact CG1-CD1 3.48Å; V265-I269 VanDerWaalsContact CG1-CD1 3.48Å; V265-I269 HydrophobicContact CG1-CG1 3.94Å; V265-I269 WeakPolarHBondContact O-CA 2.94Å; V265-I269 WeakPolarHBondContact O-CB 3.34Å; V265-I269 WeakPolarHBondContact O-CG1 3.29Å; V265-I269 PolarHBondContact O-N 3.41Å; V265-V317 HydrophobicContact CG2-CG1 3.97Å; V265-V321 HydrophobicContact CG2-CG1 4.12Å; V265-V322 HydrophobicContact CG1-CB 4.31Å; V265-V322 HydrophobicContact CG1-CG1 4.01Å; V265-V322 HydrophobicContact CG1-CG2 4.02Å; V265-V322 HydrophobicContact CG2-CG2 3.97Å
266V51Low51.3Low57 Ų5759 Ų5935%0.34531%0.307SS..Hα-helixtrans-69.3-43176.7175.60000110.8L262 T263 I269 D270L262-V266 WeakPolarHBondContact O-CG2 3.44Å; L262-V266 PolarHBondContact O-N 3.42Å; T263-V266 PolarHBondContact O-N 2.92Å; V266-I269 PolarHBondContact O-N 3.41Å; V266-D270 WeakPolarHBondContact O-CA 3.49Å; V266-D270 WeakPolarHBondContact O-CB 3.44Å; V266-D270 PolarHBondContact O-N 3.02Å
267I56.1Low52Low5 Ų552.4 Ų52.43%0.02628%0.277CS..Hα-helixtrans-63.5-49174.5-72.2166.8000109.7L242 W245 T263 D270 Y271 L312 F355L242-I267 HydrophobicContact CD2-CD1 4.37Å; L242-I267 HydrophobicContact CD2-CG1 3.73Å; W245-I267 HydrophobicContact CZ3-CD1 4.38Å; T263-I267 HydrophobicContact CG2-CD1 3.57Å; T263-I267 HydrophobicContact CG2-CG1 3.86Å; T263-I267 WeakPolarHBondContact O-CA 3.39Å; T263-I267 WeakPolarHBondContact O-CB 2.89Å; T263-I267 WeakPolarHBondContact O-CD1 3.17Å; T263-I267 WeakPolarHBondContact O-CG1 3.09Å; T263-I267 PolarHBondContact O-N 3.37Å; I267-D270 PolarHBondContact O-N 3.36Å; I267-Y271 HydrophobicContact CG2-CD2 3.48Å; I267-Y271 VanDerWaalsContact CG2-CD2 3.48Å; I267-Y271 HydrophobicContact CG2-CE2 3.42Å; I267-Y271 VanDerWaalsContact CG2-CE2 3.42Å; I267-Y271 WeakPolarHBondContact O-CB 3.08Å; I267-Y271 WeakPolarHBondContact O-CD2 3.28Å; I267-Y271 PolarHBondContact O-N 3.28Å; I267-L312 HydrophobicContact CG2-CD1 4.17Å; I267-F355 HydrophobicContact CD1-CD2 4.01Å; I267-F355 HydrophobicContact CD1-CE2 3.84Å; I267-F355 HydrophobicContact CD1-CZ 4.5Å
268I54.8Low52.7Low32 Ų3256 Ų5616%0.16429%0.29CS..Hα-helixtrans-63.5-43.8177.3-69.1164.6000110.2K264 Y271 T272 L312 L313 V317K264-I268 WeakPolarHBondContact O-CB 3.15Å; K264-I268 VanDerWaalsContact O-CD1 3.27Å; K264-I268 WeakPolarHBondContact O-CD1 3.14Å; K264-I268 WeakPolarHBondContact O-CG1 3.16Å; K264-I268 PolarHBondContact O-N 3.16Å; I268-Y271 PolarHBondContact O-N 2.95Å; I268-T272 WeakPolarHBondContact O-CB 3.25Å; I268-T272 PolarHBondContact O-N 3.19Å; I268-T272 PolarHBondContact O-OG1 2.9Å; I268-L312 WeakPolarHBondContact CD1-O 3.34Å; I268-L313 HydrophobicContact CG1-CD2 4.44Å; I268-L313 HydrophobicContact CG2-CD2 4.08Å; I268-V317 HydrophobicContact CD1-CG2 4.07Å
269I51.2Low53.3Low91 Ų9153 Ų5347%0.46728%0.275SS..Hα-helixtrans-63.5-46.9176.7-76.3174.2000109.8V265 V266 Y271 T272 Y273V265-I269 HydrophobicContact CG1-CD1 3.48Å; V265-I269 VanDerWaalsContact CG1-CD1 3.48Å; V265-I269 HydrophobicContact CG1-CG1 3.94Å; V265-I269 WeakPolarHBondContact O-CA 2.94Å; V265-I269 WeakPolarHBondContact O-CB 3.34Å; V265-I269 WeakPolarHBondContact O-CG1 3.29Å; V265-I269 PolarHBondContact O-N 3.41Å; V266-I269 PolarHBondContact O-N 3.41Å; I269-Y271 VanDerWaalsContact C-N 3.34Å; I269-Y271 PolarHBondContact O-N 3.03Å; I269-T272 CarbonylContact O-C 3.56Å; I269-T272 PolarHBondContact O-N 2.83Å; I269-Y273 WeakPolarHBondContact O-CA 3.48Å; I269-Y273 WeakPolarHBondContact O-CB 3.42Å; I269-Y273 PolarHBondContact O-N 3.25Å
270D60.5Low53.3Low55 Ų5554.1 Ų54.129%0.29429%0.292SS..Hα-helixtrans-64.2-39.7179.8-78.7-20000110.8V266 I267 L274V266-D270 WeakPolarHBondContact O-CA 3.49Å; V266-D270 WeakPolarHBondContact O-CB 3.44Å; V266-D270 PolarHBondContact O-N 3.02Å; I267-D270 PolarHBondContact O-N 3.36Å; D270-L274 VanDerWaalsContact O-CB 3.23Å; D270-L274 WeakPolarHBondContact O-CB 3.14Å; D270-L274 PolarHBondContact O-N 3.38Å
271Y63.6Low53.7Low1 Ų152.6 Ų52.60%0.00428%0.281CS..Hα-helixtrans-71.9-40.1173.4-79.1-63.2000112.6I133 H137 H238 I267 I268 I269 Y273 L274 I275 L305 F309 L312I133-Y271 VanDerWaalsContact CG2-OH 3.29Å; I133-Y271 WeakPolarHBondContact CG2-OH 3.21Å; H137-Y271 PolarHBondContact CD2-OH 3.23Å; H137-Y271 VanDerWaalsContact CD2-OH 3.3Å; H137-Y271 AromaticContact CE1-CE1 3.95Å; H137-Y271 AromaticContact NE2-CE1 3.36Å; H137-Y271 WeakPolarHBondContact NE2-CE1 3.43Å; H137-Y271 AromaticContact NE2-CZ 3.43Å; H137-Y271 PolarHBondContact NE2-OH 2.9Å; H238-Y271 AromaticContact CE1-CD1 3.47Å; H238-Y271 VanDerWaalsContact CE1-CD1 3.47Å; H238-Y271 WeakPolarHBondContact CE1-CD1 3.5Å; H238-Y271 AromaticContact CE1-CE1 3.38Å; H238-Y271 WeakPolarHBondContact CE1-CE1 3.39Å; H238-Y271 AromaticContact CE1-CG 3.95Å; H238-Y271 AromaticContact CE1-CZ 3.79Å; H238-Y271 AromaticContact NE2-CE1 3.83Å; H238-Y271 AromaticContact NE2-CZ 3.74Å; I267-Y271 HydrophobicContact CG2-CD2 3.48Å; I267-Y271 VanDerWaalsContact CG2-CD2 3.48Å; I267-Y271 HydrophobicContact CG2-CE2 3.42Å; I267-Y271 VanDerWaalsContact CG2-CE2 3.42Å; I267-Y271 WeakPolarHBondContact O-CB 3.08Å; I267-Y271 WeakPolarHBondContact O-CD2 3.28Å; I267-Y271 PolarHBondContact O-N 3.28Å; I268-Y271 PolarHBondContact O-N 2.95Å; I269-Y271 VanDerWaalsContact C-N 3.34Å; I269-Y271 PolarHBondContact O-N 3.03Å; Y271-Y273 VanDerWaalsContact C-N 3.27Å; Y271-Y273 PolarHBondContact O-N 3.03Å; Y271-L274 HydrophobicContact CD1-CD2 4.36Å; Y271-L274 PolarHBondContact O-N 3.23Å; Y271-I275 VanDerWaalsContact O-CB 3.31Å; Y271-I275 WeakPolarHBondContact O-CB 3.4Å; Y271-I275 WeakPolarHBondContact O-CD1 3.41Å; Y271-I275 WeakPolarHBondContact O-CG1 3.48Å; Y271-I275 PolarHBondContact O-N 3.4Å; Y271-L305 HydrophobicContact CD1-CD2 4.31Å; Y271-L305 HydrophobicContact CE1-CD2 4.34Å; Y271-F309 HydrophobicContact CD1-CD2 4.19Å; Y271-F309 HydrophobicContact CD1-CE2 4.39Å; Y271-F309 HydrophobicContact CD1-CG 4.44Å; Y271-F309 HydrophobicContact CE1-CD1 4.31Å; Y271-F309 AromaticContact CE1-CD2 3.95Å; Y271-F309 HydrophobicContact CE1-CD2 3.95Å; Y271-F309 HydrophobicContact CE1-CE1 4.07Å; Y271-F309 AromaticContact CE1-CE2 3.74Å; Y271-F309 HydrophobicContact CE1-CE2 3.74Å; Y271-F309 HydrophobicContact CE1-CG 4.24Å; Y271-F309 AromaticContact CE1-CZ 3.79Å; Y271-F309 HydrophobicContact CE1-CZ 3.79Å; Y271-F309 HydrophobicContact CE2-CD1 4.04Å; Y271-F309 HydrophobicContact CE2-CE1 4.13Å; Y271-F309 HydrophobicContact CE2-CG 4.44Å; Y271-F309 AromaticContact CZ-CD1 3.92Å; Y271-F309 AromaticContact CZ-CE1 3.62Å; Y271-F309 AromaticContact CZ-CZ 3.76Å; Y271-F309 WeakPolarHBondContact OH-CE1 3.46Å; Y271-L312 HydrophobicContact CE2-CD1 4.47Å
272T59.4Low53.8Low71 Ų7154.1 Ų54.144%0.43630%0.296SS..Hα-helixtrans-64.5-39.2175.6-52.50000109.7I268 I269 I275 S276I268-T272 WeakPolarHBondContact O-CB 3.25Å; I268-T272 PolarHBondContact O-N 3.19Å; I268-T272 PolarHBondContact O-OG1 2.9Å; I269-T272 CarbonylContact O-C 3.56Å; I269-T272 PolarHBondContact O-N 2.83Å; T272-I275 CarbonylContact O-C 3.52Å; T272-I275 PolarHBondContact O-N 3.15Å; T272-S276 VanDerWaalsContact O-CB 3.27Å; T272-S276 WeakPolarHBondContact O-CB 3.33Å; T272-S276 PolarHBondContact O-N 3.12Å; T272-S276 PolarHBondContact O-OG 2.97Å
273Y61.9Low53.9Low122 Ų12253.5 Ų53.548%0.47830%0.295SS..Hα-helixtrans-63.8-49.7173.6179.7-105000110.7I269 Y271 I275 S276 M277I269-Y273 WeakPolarHBondContact O-CA 3.48Å; I269-Y273 WeakPolarHBondContact O-CB 3.42Å; I269-Y273 PolarHBondContact O-N 3.25Å; Y271-Y273 VanDerWaalsContact C-N 3.27Å; Y271-Y273 PolarHBondContact O-N 3.03Å; Y273-I275 VanDerWaalsContact C-N 3.28Å; Y273-I275 PolarHBondContact O-N 2.73Å; Y273-S276 VanDerWaalsContact CA-OG 3.3Å; Y273-S276 WeakPolarHBondContact CA-OG 3.44Å; Y273-S276 CarbonylContact O-C 3.59Å; Y273-S276 WeakPolarHBondContact O-CA 3.33Å; Y273-S276 PolarHBondContact O-N 3.46Å; Y273-S276 PolarHBondContact O-OG 3.43Å; Y273-M277 HydrophobicContact CD1-CG 3.86Å; Y273-M277 HydrophobicContact CD1-SD 4.05Å; Y273-M277 HydrophobicContact CD2-CG 4.45Å; Y273-M277 HydrophobicContact CE1-CE 3.81Å; Y273-M277 HydrophobicContact CE1-CG 3.56Å; Y273-M277 HydrophobicContact CE1-SD 3.32Å; Y273-M277 WeakPolarHBondContact CE1-SD 3.19Å; Y273-M277 HydrophobicContact CE2-CG 4.19Å; Y273-M277 HydrophobicContact CG-CG 4.31Å; Y273-M277 VanDerWaalsContact O-CG 3.29Å; Y273-M277 WeakPolarHBondContact O-CG 3.48Å; Y273-M277 PolarHBondContact O-N 3.08Å; Y273-M277 WeakPolarHBondContact OH-CE 3.29Å
274L62.3Low54.1Low4 Ų463 Ų632%0.02134%0.339CS..Hα-helixtrans-57.8-41.2174.5-17176.5000111.7K234 M235 D270 Y271 S276 M277 Y279 L305K234-L274 HydrophobicContact CG-CD1 4.44Å; M235-L274 HydrophobicContact SD-CD2 4.12Å; D270-L274 VanDerWaalsContact O-CB 3.23Å; D270-L274 WeakPolarHBondContact O-CB 3.14Å; D270-L274 PolarHBondContact O-N 3.38Å; Y271-L274 HydrophobicContact CD1-CD2 4.36Å; Y271-L274 PolarHBondContact O-N 3.23Å; L274-S276 VanDerWaalsContact C-N 3.3Å; L274-M277 PolarHBondContact O-N 2.89Å; L274-Y279 WeakPolarHBondContact CD1-OH 3.4Å; L274-L305 HydrophobicContact CD2-CD1 3.52Å; L274-L305 HydrophobicContact CD2-CD2 3.94Å; L274-L305 HydrophobicContact CD2-CG 4.42Å; L274-L305 HydrophobicContact CG-CD1 4.03Å
275I59.7Low54.5Low42 Ų4266.9 Ų66.922%0.21536%0.358CS..Hα-helixtrans-66.2-34.4175.3-70.1162.3000110.7Y271 T272 Y273 Q302 L305 A306Y271-I275 VanDerWaalsContact O-CB 3.31Å; Y271-I275 WeakPolarHBondContact O-CB 3.4Å; Y271-I275 WeakPolarHBondContact O-CD1 3.41Å; Y271-I275 WeakPolarHBondContact O-CG1 3.48Å; Y271-I275 PolarHBondContact O-N 3.4Å; T272-I275 CarbonylContact O-C 3.52Å; T272-I275 PolarHBondContact O-N 3.15Å; Y273-I275 VanDerWaalsContact C-N 3.28Å; Y273-I275 PolarHBondContact O-N 2.73Å; I275-Q302 HydrophobicContact CG2-CB 4.32Å; I275-Q302 HydrophobicContact CG2-CG 4.49Å; I275-Q302 VanDerWaalsContact O-CG 3.27Å; I275-Q302 WeakPolarHBondContact O-CG 3.08Å; I275-Q302 PolarHBondContact O-NE2 3.37Å; I275-L305 HydrophobicContact CD1-CB 4.36Å; I275-L305 HydrophobicContact CG1-CB 4.03Å; I275-L305 HydrophobicContact CG1-CD1 4.29Å; I275-A306 HydrophobicContact CD1-CB 4.32Å
276S51.6Low55.5Low77 Ų7768.3 Ų68.354%0.53837%0.365SS..Hα-helixtrans-89-9.2180720000114.6T272 Y273 L274 N278T272-S276 VanDerWaalsContact O-CB 3.27Å; T272-S276 WeakPolarHBondContact O-CB 3.33Å; T272-S276 PolarHBondContact O-N 3.12Å; T272-S276 PolarHBondContact O-OG 2.97Å; Y273-S276 VanDerWaalsContact CA-OG 3.3Å; Y273-S276 WeakPolarHBondContact CA-OG 3.44Å; Y273-S276 CarbonylContact O-C 3.59Å; Y273-S276 WeakPolarHBondContact O-CA 3.33Å; Y273-S276 PolarHBondContact O-N 3.46Å; Y273-S276 PolarHBondContact O-OG 3.43Å; L274-S276 VanDerWaalsContact C-N 3.3Å; S276-N278 PolarHBondContact O-N 3.19Å
277M55.3Low56.4Low39 Ų3969.1 Ų69.119%0.19237%0.37CS..  trans-69.8126.3-175-88.8-150.4104.500110.6K234 Y273 L274 Y279K234-M277 WeakPolarHBondContact CE-SD 3.49Å; K234-M277 PolarHBondContact NZ-SD 3.42Å; Y273-M277 HydrophobicContact CD1-CG 3.86Å; Y273-M277 HydrophobicContact CD1-SD 4.05Å; Y273-M277 HydrophobicContact CD2-CG 4.45Å; Y273-M277 HydrophobicContact CE1-CE 3.81Å; Y273-M277 HydrophobicContact CE1-CG 3.56Å; Y273-M277 HydrophobicContact CE1-SD 3.32Å; Y273-M277 WeakPolarHBondContact CE1-SD 3.19Å; Y273-M277 HydrophobicContact CE2-CG 4.19Å; Y273-M277 HydrophobicContact CG-CG 4.31Å; Y273-M277 VanDerWaalsContact O-CG 3.29Å; Y273-M277 WeakPolarHBondContact O-CG 3.48Å; Y273-M277 PolarHBondContact O-N 3.08Å; Y273-M277 WeakPolarHBondContact OH-CE 3.29Å; L274-M277 PolarHBondContact O-N 2.89Å; M277-Y279 HydrophobicContact CB-CE2 4.39Å; M277-Y279 WeakPolarHBondContact O-CD2 3.32Å
278N53.5Low57.3Low139 Ų13975.4 Ų75.474%0.74340%0.403SS*.  trans-81.4113.6161.3-73-18.6000107.7S276 C280S276-N278 PolarHBondContact O-N 3.19Å; N278-C280 PolarHBondContact O-N 3.14Å
279Y54.5Low58.2Low38 Ų3879.7 Ų79.715%0.14943%0.427CS..  trans-77.3110.2175.5-63.2-105.9000107.5F231 K234 L274 M277 I281 L298F231-Y279 HydrophobicContact CD2-CE1 4.36Å; K234-Y279 HydrophobicContact CB-CE1 4.09Å; K234-Y279 HydrophobicContact CG-CE1 3.96Å; L274-Y279 WeakPolarHBondContact CD1-OH 3.4Å; M277-Y279 HydrophobicContact CB-CE2 4.39Å; M277-Y279 WeakPolarHBondContact O-CD2 3.32Å; Y279-I281 PolarHBondContact O-N 3.39Å; Y279-L298 HydrophobicContact CD1-CD2 4.26Å; Y279-L298 HydrophobicContact CD2-CD1 3.64Å; Y279-L298 HydrophobicContact CD2-CD2 3.33Å; Y279-L298 HydrophobicContact CD2-CG 3.98Å; Y279-L298 HydrophobicContact CE1-CD2 4.43Å; Y279-L298 HydrophobicContact CE2-CD2 3.55Å; Y279-L298 HydrophobicContact CE2-CG 4.49Å; Y279-L298 HydrophobicContact CG-CD1 3.92Å; Y279-L298 HydrophobicContact CG-CD2 3.72Å; Y279-L298 HydrophobicContact CG-CG 4.45Å
280C43.4Very low59.1Low106 Ų10676.6 Ų76.672%0.71641%0.413SS*.  trans-77.5117.3172.6-66.30000108.6N278N278-C280 PolarHBondContact O-N 3.14Å
281I51.1Low59.8Low31 Ų3177.1 Ų77.116%0.15942%0.415CS..  trans-95.6111.2170.1-49.9170.1000105.4Y227 Y279 L286 Y294Y227-I281 HydrophobicContact CD2-CD1 3.25Å; Y227-I281 HydrophobicContact CD2-CG1 3.77Å; Y227-I281 HydrophobicContact CE2-CD1 3.82Å; Y227-I281 HydrophobicContact CE2-CG1 4.39Å; Y227-I281 HydrophobicContact CG-CD1 4.02Å; Y279-I281 PolarHBondContact O-N 3.39Å; I281-L286 HydrophobicContact CB-CD1 3.89Å; I281-L286 HydrophobicContact CG2-CD1 3.67Å; I281-L286 HydrophobicContact CG2-CD2 4.18Å; I281-L286 HydrophobicContact CG2-CG 4.49Å; I281-L286 WeakPolarHBondContact O-CD1 3.31Å; I281-Y294 HydrophobicContact CD1-CD2 3.14Å; I281-Y294 HydrophobicContact CD1-CE2 3.92Å; I281-Y294 HydrophobicContact CD1-CG 3.67Å
282V48.9Very low60.4Low133 Ų13383.1 Ų83.181%0.80645%0.447SS*.  trans-98.394.4178.5-172.30000107.3
283S51.6Low61.2Low24 Ų2482.4 Ų82.417%0.16844%0.44CS..  trans-142.5133.6165-173.20000109.2E285 L286S283-E285 PolarHBondContact O-N 2.85Å; S283-E285 VanDerWaalsContact O-N 3.15Å; S283-L286 WeakPolarHBondContact O-CD1 3.22Å
284E52Low61.9Low209 Ų20976.6 Ų76.698%0.97742%0.417SS*.THydrogen-bonded Turntrans-68-7.5-179.3-65.2-179.6165.300112.9
285E57.4Low62.6Low122 Ų12279.7 Ų79.757%0.5744%0.436SS*.THydrogen-bonded Turntrans-109.913.4-174.8-60.6179.6159.400114.6H222 S283 T287H222-E285 IonicContact CE1-OE2 3.95Å; H222-E285 PolarHBondContact CE1-OE2 3.07Å; H222-E285 VanDerWaalsContact CE1-OE2 3.25Å; H222-E285 IonicContact ND1-OE2 2.96Å; H222-E285 PolarHBondContact ND1-OE2 2.96Å; S283-E285 PolarHBondContact O-N 2.85Å; S283-E285 VanDerWaalsContact O-N 3.15Å; E285-T287 PolarHBondContact O-N 3.34Å
286L66.3Low63.5Low37 Ų3782.1 Ų82.119%0.19445%0.446CS..  trans-74.7124.1-177.7-76.1158.3000111.8I281 S283 C290 L291 Y294I281-L286 HydrophobicContact CB-CD1 3.89Å; I281-L286 HydrophobicContact CG2-CD1 3.67Å; I281-L286 HydrophobicContact CG2-CD2 4.18Å; I281-L286 HydrophobicContact CG2-CG 4.49Å; I281-L286 WeakPolarHBondContact O-CD1 3.31Å; S283-L286 WeakPolarHBondContact O-CD1 3.22Å; L286-C290 HydrophobicContact CD2-CB 4.37Å; L286-L291 HydrophobicContact CB-CD2 4.49Å; L286-L291 HydrophobicContact CB-CG 4.39Å; L286-L291 HydrophobicContact CD1-CD2 4.25Å; L286-Y294 HydrophobicContact CD2-CD2 4.25Å; L286-Y294 HydrophobicContact CD2-CE2 3.62Å
287T70.3Confident64.9Low73 Ų7378.6 Ų78.645%0.44842%0.421SS..  trans-83.3154.2168.465.70000110.9E285 D289 C290 L291E285-T287 PolarHBondContact O-N 3.34Å; T287-D289 PolarHBondContact O-N 2.9Å; T287-C290 WeakPolarHBondContact O-CB 3.36Å; T287-C290 PolarHBondContact O-N 3.41Å; T287-C290 VanDerWaalsContact O-N 3.12Å; T287-C290 PolarHBondContact OG1-N 2.96Å; T287-C290 PolarHBondContact OG1-SG 3.21Å; T287-L291 PolarHBondContact O-N 2.79Å
288D73.7Confident66Low137 Ų13777.5 Ų77.573%0.73342%0.416SS*.Hα-helixtrans-57.5-35175.3-70.9-21.5000112.1L291 L292D288-L291 PolarHBondContact O-N 3.12Å; D288-L292 PolarHBondContact O-N 3.38Å
289D74.8Confident67.2Low123 Ų12376.2 Ų76.266%0.65840%0.404SS*.Hα-helixtrans-64.8-43176.1-68.3-30.6000112T287 L292 I293T287-D289 PolarHBondContact O-N 2.9Å; D289-L292 PolarHBondContact O-N 3.4Å; D289-I293 WeakPolarHBondContact O-CG1 3.36Å; D289-I293 PolarHBondContact O-N 3.14Å; D289-I293 VanDerWaalsContact O-N 3.15Å
290C70.3Confident68.5Low25 Ų2577.8 Ų77.817%0.16941%0.414CS..Hα-helixtrans-62.9-43.7174.4-74.20000111.2L286 T287 L292 I293 Y294L286-C290 HydrophobicContact CD2-CB 4.37Å; T287-C290 WeakPolarHBondContact O-CB 3.36Å; T287-C290 PolarHBondContact O-N 3.41Å; T287-C290 VanDerWaalsContact O-N 3.12Å; T287-C290 PolarHBondContact OG1-N 2.96Å; T287-C290 PolarHBondContact OG1-SG 3.21Å; C290-L292 VanDerWaalsContact C-N 3.33Å; C290-L292 PolarHBondContact O-N 3.24Å; C290-I293 PolarHBondContact O-N 3.05Å; C290-Y294 HydrophobicContact CB-CE2 3.87Å; C290-Y294 WeakPolarHBondContact O-CD2 3.5Å; C290-Y294 PolarHBondContact O-N 3.11Å
291L73.6Confident70.2Confident67 Ų6773 Ų7335%0.35138%0.381SS..Hα-helixtrans-59.5-43.1176.9-72.9173000111.9L286 T287 D288 I293 Y294 V295L286-L291 HydrophobicContact CB-CD2 4.49Å; L286-L291 HydrophobicContact CB-CG 4.39Å; L286-L291 HydrophobicContact CD1-CD2 4.25Å; T287-L291 PolarHBondContact O-N 2.79Å; D288-L291 PolarHBondContact O-N 3.12Å; L291-I293 VanDerWaalsContact C-N 3.34Å; L291-I293 PolarHBondContact O-N 3.13Å; L291-Y294 PolarHBondContact O-N 3.01Å; L291-V295 WeakPolarHBondContact O-CB 3.47Å; L291-V295 VanDerWaalsContact O-CG2 3.27Å; L291-V295 WeakPolarHBondContact O-CG2 3.46Å; L291-V295 PolarHBondContact O-N 3Å
292L76.2Confident71.4Confident127 Ų12773.6 Ų73.667%0.66538%0.383SS*.Hα-helixtrans-60.5-44.5177.6-168.274.6000111.5D288 D289 C290 Y294 E296D288-L292 PolarHBondContact O-N 3.38Å; D289-L292 PolarHBondContact O-N 3.4Å; C290-L292 VanDerWaalsContact C-N 3.33Å; C290-L292 PolarHBondContact O-N 3.24Å; L292-Y294 PolarHBondContact O-N 3.3Å; L292-E296 WeakPolarHBondContact O-CB 3.27Å; L292-E296 PolarHBondContact O-N 3.25Å
293I76.4Confident73Confident55 Ų5570.2 Ų70.228%0.28237%0.369SS..Hα-helixtrans-61-45177.2-68.8166.8000111A147 P148 D289 C290 L291 E296 H297A147-I293 HydrophobicContact CB-CD1 4.17Å; A147-I293 HydrophobicContact CB-CG2 3.79Å; P148-I293 HydrophobicContact CG-CG2 4.42Å; D289-I293 WeakPolarHBondContact O-CG1 3.36Å; D289-I293 PolarHBondContact O-N 3.14Å; D289-I293 VanDerWaalsContact O-N 3.15Å; C290-I293 PolarHBondContact O-N 3.05Å; L291-I293 VanDerWaalsContact C-N 3.34Å; L291-I293 PolarHBondContact O-N 3.13Å; I293-E296 PolarHBondContact O-N 3.27Å; I293-H297 PolarHBondContact O-N 3.46Å
294Y77.3Confident74.4Confident1 Ų169.7 Ų69.70%0.00436%0.364CS..Hα-helixtrans-69.3-42.5-178.9-57.4-30.1000112.3C223 D224 Y227 I281 L286 C290 L291 L292 E296 H297 L298C223-Y294 VanDerWaalsContact CB-OH 3.29Å; C223-Y294 WeakPolarHBondContact CB-OH 3.49Å; C223-Y294 PolarHBondContact O-OH 3.35Å; D224-Y294 WeakPolarHBondContact CA-OH 3.43Å; D224-Y294 PolarHBondContact N-OH 3.04Å; D224-Y294 WeakPolarHBondContact OD1-CE1 3.28Å; D224-Y294 VanDerWaalsContact OD1-CZ 3.25Å; D224-Y294 PolarHBondContact OD1-OH 2.82Å; Y227-Y294 AromaticContact CD1-CD1 3.47Å; Y227-Y294 HydrophobicContact CD1-CD1 3.47Å; Y227-Y294 VanDerWaalsContact CD1-CD1 3.47Å; Y227-Y294 AromaticContact CD1-CE1 3.72Å; Y227-Y294 HydrophobicContact CD1-CE1 3.72Å; Y227-Y294 HydrophobicContact CD1-CG 4.06Å; Y227-Y294 HydrophobicContact CD2-CD1 4.32Å; Y227-Y294 HydrophobicContact CD2-CD2 4.41Å; Y227-Y294 HydrophobicContact CD2-CG 4.07Å; Y227-Y294 AromaticContact CE1-CD1 3.71Å; Y227-Y294 HydrophobicContact CE1-CD1 3.71Å; Y227-Y294 HydrophobicContact CE1-CE1 4.37Å; Y227-Y294 HydrophobicContact CE1-CG 4.25Å; Y227-Y294 HydrophobicContact CE2-CD1 4.5Å; Y227-Y294 HydrophobicContact CE2-CG 4.23Å; Y227-Y294 AromaticContact CG-CD1 3.78Å; Y227-Y294 HydrophobicContact CG-CD1 3.78Å; Y227-Y294 HydrophobicContact CG-CD2 4.29Å; Y227-Y294 HydrophobicContact CG-CE1 4.01Å; Y227-Y294 HydrophobicContact CG-CE2 4.43Å; Y227-Y294 AromaticContact CG-CG 3.95Å; Y227-Y294 HydrophobicContact CG-CG 3.95Å; I281-Y294 HydrophobicContact CD1-CD2 3.14Å; I281-Y294 HydrophobicContact CD1-CE2 3.92Å; I281-Y294 HydrophobicContact CD1-CG 3.67Å; L286-Y294 HydrophobicContact CD2-CD2 4.25Å; L286-Y294 HydrophobicContact CD2-CE2 3.62Å; C290-Y294 HydrophobicContact CB-CE2 3.87Å; C290-Y294 WeakPolarHBondContact O-CD2 3.5Å; C290-Y294 PolarHBondContact O-N 3.11Å; L291-Y294 PolarHBondContact O-N 3.01Å; L292-Y294 PolarHBondContact O-N 3.3Å; Y294-E296 VanDerWaalsContact C-N 3.29Å; Y294-E296 PolarHBondContact O-N 3.26Å; Y294-H297 PolarHBondContact O-N 3.1Å; Y294-L298 VanDerWaalsContact O-CG 3.27Å; Y294-L298 WeakPolarHBondContact O-CG 3.33Å; Y294-L298 PolarHBondContact O-N 3.19Å
295V76.3Confident75.6Confident68 Ų6859.7 Ų59.741%0.41232%0.318SS..Hα-helixtrans-59.2-43.7174.5168.40000110.4L291 L298 K299L291-V295 WeakPolarHBondContact O-CB 3.47Å; L291-V295 VanDerWaalsContact O-CG2 3.27Å; L291-V295 WeakPolarHBondContact O-CG2 3.46Å; L291-V295 PolarHBondContact O-N 3Å; V295-L298 PolarHBondContact O-N 3.12Å; V295-K299 HydrophobicContact CG1-CD 4.34Å; V295-K299 WeakPolarHBondContact O-CG 3.41Å; V295-K299 PolarHBondContact O-N 3.41Å
296E79.8Confident76.5Confident93 Ų9355.8 Ų55.844%0.43531%0.306SS..Hα-helixtrans-64.5-43.5177.2-169.658.9-156.400111.7L292 I293 Y294 L298 K299 M300L292-E296 WeakPolarHBondContact O-CB 3.27Å; L292-E296 PolarHBondContact O-N 3.25Å; I293-E296 PolarHBondContact O-N 3.27Å; Y294-E296 VanDerWaalsContact C-N 3.29Å; Y294-E296 PolarHBondContact O-N 3.26Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 2.93Å; E296-K299 PolarHBondContact O-N 3.27Å; E296-M300 WeakPolarHBondContact O-CG 3.33Å; E296-M300 PolarHBondContact O-N 3.38Å
297H81.3Confident77.3Confident4 Ų458 Ų582%0.01932%0.316CS..Hα-helixtrans-59.2-43.2174.5177.4-117.7000112.3C143 N145 P148 Y227 I293 Y294 M300 V301C143-H297 VanDerWaalsContact SG-CD2 3.59Å; C143-H297 PolarHBondContact SG-NE2 3.42Å; N145-H297 HydrophobicContact CB-CB 4.34Å; P148-H297 HydrophobicContact CG-CB 4.43Å; Y227-H297 AromaticContact CE1-ND1 3.52Å; Y227-H297 AromaticContact CZ-ND1 3.55Å; Y227-H297 PolarHBondContact OH-ND1 3.43Å; I293-H297 PolarHBondContact O-N 3.46Å; Y294-H297 PolarHBondContact O-N 3.1Å; H297-M300 WeakPolarHBondContact O-CB 3.31Å; H297-M300 PolarHBondContact O-N 3.41Å; H297-V301 WeakPolarHBondContact O-CG2 3.26Å; H297-V301 PolarHBondContact O-N 3.36Å
298L77.6Confident77.6Confident15 Ų1556 Ų568%0.07930%0.301CS..Hα-helixtrans-64.6-41.4177.7-67.8170.6000112.1Y227 F231 Y279 Y294 V295 E296 M300 V301 Q302Y227-L298 HydrophobicContact CE2-CD1 4.41Å; Y227-L298 HydrophobicContact CE2-CD2 4.3Å; Y227-L298 HydrophobicContact CE2-CG 4.38Å; Y227-L298 VanDerWaalsContact OH-CD2 3.24Å; Y227-L298 WeakPolarHBondContact OH-CD2 3.36Å; Y227-L298 VanDerWaalsContact OH-CG 3.31Å; Y227-L298 WeakPolarHBondContact OH-CG 3.49Å; F231-L298 HydrophobicContact CD2-CD2 4.37Å; Y279-L298 HydrophobicContact CD1-CD2 4.26Å; Y279-L298 HydrophobicContact CD2-CD1 3.64Å; Y279-L298 HydrophobicContact CD2-CD2 3.33Å; Y279-L298 HydrophobicContact CD2-CG 3.98Å; Y279-L298 HydrophobicContact CE1-CD2 4.43Å; Y279-L298 HydrophobicContact CE2-CD2 3.55Å; Y279-L298 HydrophobicContact CE2-CG 4.49Å; Y279-L298 HydrophobicContact CG-CD1 3.92Å; Y279-L298 HydrophobicContact CG-CD2 3.72Å; Y279-L298 HydrophobicContact CG-CG 4.45Å; Y294-L298 VanDerWaalsContact O-CG 3.27Å; Y294-L298 WeakPolarHBondContact O-CG 3.33Å; Y294-L298 PolarHBondContact O-N 3.19Å; V295-L298 PolarHBondContact O-N 3.12Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 2.93Å; L298-M300 VanDerWaalsContact C-N 3.31Å; L298-M300 PolarHBondContact O-N 2.86Å; L298-V301 WeakPolarHBondContact O-CB 3.25Å; L298-V301 PolarHBondContact O-N 2.84Å; L298-Q302 WeakPolarHBondContact O-CB 3.49Å; L298-Q302 VanDerWaalsContact O-CG 3.25Å; L298-Q302 WeakPolarHBondContact O-CG 3.25Å; L298-Q302 PolarHBondContact O-N 3.39Å
299K79.3Confident77.6Confident112 Ų11249.7 Ų49.749%0.48727%0.267SS..Hα-helixtrans-59.8-42.5173.3-73.1173.6-177.81720111.7V295 E296 V301 Q302 A303V295-K299 HydrophobicContact CG1-CD 4.34Å; V295-K299 WeakPolarHBondContact O-CG 3.41Å; V295-K299 PolarHBondContact O-N 3.41Å; E296-K299 PolarHBondContact O-N 3.27Å; K299-V301 VanDerWaalsContact C-N 3.35Å; K299-V301 PolarHBondContact O-N 3.4Å; K299-Q302 PolarHBondContact O-N 2.9Å; K299-A303 WeakPolarHBondContact O-CB 3.48Å; K299-A303 PolarHBondContact O-N 2.9Å
300M81.3Confident77.6Confident72 Ų7250.6 Ų50.636%0.35526%0.261SS..Hα-helixtrans-61.9-42.8174.9-67.3177.777.800111.7K144 N145 E296 H297 L298 A303 D304K144-M300 HydrophobicContact CB-CE 3.88Å; N145-M300 HydrophobicContact CB-SD 4.27Å; E296-M300 WeakPolarHBondContact O-CG 3.33Å; E296-M300 PolarHBondContact O-N 3.38Å; H297-M300 WeakPolarHBondContact O-CB 3.31Å; H297-M300 PolarHBondContact O-N 3.41Å; L298-M300 VanDerWaalsContact C-N 3.31Å; L298-M300 PolarHBondContact O-N 2.86Å; M300-A303 PolarHBondContact O-N 3.39Å; M300-D304 WeakPolarHBondContact O-CB 3.11Å; M300-D304 PolarHBondContact O-N 2.9Å
301V78.9Confident77.5Confident4 Ų451.6 Ų51.62%0.02426%0.264CS..Hα-helixtrans-61.2-47.4175.41650000110.9V140 F231 H297 L298 K299 A303 D304 L305V140-V301 HydrophobicContact CG1-CG1 3.73Å; F231-V301 HydrophobicContact CE2-CG1 4Å; F231-V301 HydrophobicContact CE2-CG2 3.98Å; F231-V301 HydrophobicContact CZ-CG1 4.39Å; F231-V301 HydrophobicContact CZ-CG2 3.99Å; H297-V301 WeakPolarHBondContact O-CG2 3.26Å; H297-V301 PolarHBondContact O-N 3.36Å; L298-V301 WeakPolarHBondContact O-CB 3.25Å; L298-V301 PolarHBondContact O-N 2.84Å; K299-V301 VanDerWaalsContact C-N 3.35Å; K299-V301 PolarHBondContact O-N 3.4Å; V301-A303 VanDerWaalsContact C-N 3.35Å; V301-A303 PolarHBondContact O-N 3.42Å; V301-D304 PolarHBondContact O-N 3.11Å; V301-L305 HydrophobicContact CG1-CD1 3.84Å; V301-L305 HydrophobicContact CG1-CG 4.34Å; V301-L305 WeakPolarHBondContact O-CB 3.32Å; V301-L305 WeakPolarHBondContact O-CG 3.17Å; V301-L305 PolarHBondContact O-N 2.96Å
302Q77Confident77.3Confident45 Ų4548.6 Ų48.621%0.2125%0.249CC..Hα-helixtrans-59-45.2178.1-72.1172.2-7.700111.4I275 L298 K299 L305 A306I275-Q302 HydrophobicContact CG2-CB 4.32Å; I275-Q302 HydrophobicContact CG2-CG 4.49Å; I275-Q302 VanDerWaalsContact O-CG 3.27Å; I275-Q302 WeakPolarHBondContact O-CG 3.08Å; I275-Q302 PolarHBondContact O-NE2 3.37Å; L298-Q302 WeakPolarHBondContact O-CB 3.49Å; L298-Q302 VanDerWaalsContact O-CG 3.25Å; L298-Q302 WeakPolarHBondContact O-CG 3.25Å; L298-Q302 PolarHBondContact O-N 3.39Å; K299-Q302 PolarHBondContact O-N 2.9Å; Q302-L305 PolarHBondContact O-N 2.8Å; Q302-A306 WeakPolarHBondContact O-CB 3.05Å; Q302-A306 PolarHBondContact O-N 3.15Å
303A81.4Confident76.8Confident62 Ų6245 Ų4551%0.51223%0.23SC..Hα-helixtrans-64.1-40.9176.100000112.3K299 M300 V301 A306 M307K299-A303 WeakPolarHBondContact O-CB 3.48Å; K299-A303 PolarHBondContact O-N 2.9Å; M300-A303 PolarHBondContact O-N 3.39Å; V301-A303 VanDerWaalsContact C-N 3.35Å; V301-A303 PolarHBondContact O-N 3.42Å; A303-A306 PolarHBondContact O-N 3.17Å; A303-M307 WeakPolarHBondContact O-CB 3.15Å; A303-M307 PolarHBondContact O-N 2.87Å
304D81.4Confident76.5Confident12 Ų1247.8 Ų47.86%0.06425%0.245CC..Hα-helixtrans-69.5-37.2178.7-151.952.3000111.3V140 K144 M300 V301 M307 R308V140-D304 HydrophobicContact CG2-CB 4.36Å; K144-D304 IonicContact NZ-OD1 3.89Å; K144-D304 PolarHBondContact NZ-OD1 3.36Å; K144-D304 IonicContact NZ-OD2 3.23Å; K144-D304 PolarHBondContact NZ-OD2 2.85Å; M300-D304 WeakPolarHBondContact O-CB 3.11Å; M300-D304 PolarHBondContact O-N 2.9Å; V301-D304 PolarHBondContact O-N 3.11Å; D304-M307 WeakPolarHBondContact OD1-CE 3.5Å; D304-R308 VanDerWaalsContact CG-NE 3.26Å; D304-R308 VanDerWaalsContact O-CB 3.23Å; D304-R308 WeakPolarHBondContact O-CB 3.4Å; D304-R308 WeakPolarHBondContact O-CG 3.29Å; D304-R308 PolarHBondContact O-N 2.9Å; D304-R308 IonicContact OD1-CZ 3.48Å; D304-R308 IonicContact OD1-NE 2.87Å; D304-R308 PolarHBondContact OD1-NE 2.95Å; D304-R308 IonicContact OD1-NH2 3.65Å; D304-R308 PolarHBondContact OD1-NH2 2.97Å; D304-R308 IonicContact OD2-CZ 2.71Å; D304-R308 IonicContact OD2-NE 3.69Å; D304-R308 PolarHBondContact OD2-NE 2.95Å; D304-R308 IonicContact OD2-NH2 3.69Å; D304-R308 PolarHBondContact OD2-NH2 2.81Å
305L77.3Confident75.8Confident0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-59.2-53.9170.4-75.8165000110.8V140 Y271 L274 I275 V301 Q302 M307 R308 F309V140-L305 HydrophobicContact CB-CD2 4.38Å; V140-L305 HydrophobicContact CG1-CD2 3.94Å; V140-L305 HydrophobicContact CG1-CG 3.81Å; V140-L305 HydrophobicContact CG2-CD2 3.91Å; V140-L305 HydrophobicContact CG2-CG 4.14Å; Y271-L305 HydrophobicContact CD1-CD2 4.31Å; Y271-L305 HydrophobicContact CE1-CD2 4.34Å; L274-L305 HydrophobicContact CD2-CD1 3.52Å; L274-L305 HydrophobicContact CD2-CD2 3.94Å; L274-L305 HydrophobicContact CD2-CG 4.42Å; L274-L305 HydrophobicContact CG-CD1 4.03Å; I275-L305 HydrophobicContact CD1-CB 4.36Å; I275-L305 HydrophobicContact CG1-CB 4.03Å; I275-L305 HydrophobicContact CG1-CD1 4.29Å; V301-L305 HydrophobicContact CG1-CD1 3.84Å; V301-L305 HydrophobicContact CG1-CG 4.34Å; V301-L305 WeakPolarHBondContact O-CB 3.32Å; V301-L305 WeakPolarHBondContact O-CG 3.17Å; V301-L305 PolarHBondContact O-N 2.96Å; Q302-L305 PolarHBondContact O-N 2.8Å; L305-M307 VanDerWaalsContact C-N 3.27Å; L305-M307 PolarHBondContact O-N 3.13Å; L305-R308 PolarHBondContact O-N 3.32Å; L305-F309 HydrophobicContact CD2-CD2 3.93Å; L305-F309 HydrophobicContact CD2-CE2 3.67Å; L305-F309 WeakPolarHBondContact O-CB 3.38Å; L305-F309 VanDerWaalsContact O-CD2 3.32Å; L305-F309 WeakPolarHBondContact O-CD2 3.14Å; L305-F309 PolarHBondContact O-N 3.34Å
306A76.9Confident74.6Confident39 Ų3955.2 Ų55.232%0.32228%0.276SS..Hα-helixtrans-58.1-40.2-179.100000112.2I275 Q302 A303 R310I275-A306 HydrophobicContact CD1-CB 4.32Å; Q302-A306 WeakPolarHBondContact O-CB 3.05Å; Q302-A306 PolarHBondContact O-N 3.15Å; A303-A306 PolarHBondContact O-N 3.17Å; A306-R310 PolarHBondContact O-N 2.95Å
307M82.2Confident73.2Confident83 Ų8352.6 Ų52.641%0.40927%0.267SS..Hα-helixtrans-70.8-42.9177.1180-104.6-68.100112.7A303 D304 L305 R310A303-M307 WeakPolarHBondContact O-CB 3.15Å; A303-M307 PolarHBondContact O-N 2.87Å; D304-M307 WeakPolarHBondContact OD1-CE 3.5Å; L305-M307 VanDerWaalsContact C-N 3.27Å; L305-M307 PolarHBondContact O-N 3.13Å; M307-R310 WeakPolarHBondContact O-CB 3.3Å
308R77.1Confident71.3Confident33 Ų3357 Ų5713%0.12529%0.29CS..Hα-helixtrans-80.2-21.4-174.8-71.4-176.3-165.5-55.6-20.7114.7R109 C136 D304 L305R109-R308 VanDerWaalsContact NH2-C 3.34Å; R109-R308 PolarHBondContact NH2-O 3.25Å; C136-R308 HydrophobicContact CB-CB 4.24Å; D304-R308 VanDerWaalsContact CG-NE 3.26Å; D304-R308 VanDerWaalsContact O-CB 3.23Å; D304-R308 WeakPolarHBondContact O-CB 3.4Å; D304-R308 WeakPolarHBondContact O-CG 3.29Å; D304-R308 PolarHBondContact O-N 2.9Å; D304-R308 IonicContact OD1-CZ 3.48Å; D304-R308 IonicContact OD1-NE 2.87Å; D304-R308 PolarHBondContact OD1-NE 2.95Å; D304-R308 IonicContact OD1-NH2 3.65Å; D304-R308 PolarHBondContact OD1-NH2 2.97Å; D304-R308 IonicContact OD2-CZ 2.71Å; D304-R308 IonicContact OD2-NE 3.69Å; D304-R308 PolarHBondContact OD2-NE 2.95Å; D304-R308 IonicContact OD2-NH2 3.69Å; D304-R308 PolarHBondContact OD2-NH2 2.81Å; L305-R308 PolarHBondContact O-N 3.32Å
309F73.7Confident69.5Low4 Ų461.1 Ų61.12%0.01832%0.316CS..THydrogen-bonded Turntrans-106.614.1175.4-65.8-76.2000112I133 C136 H137 Y271 L305 D311 L312 L313I133-F309 HydrophobicContact CB-CE1 4.4Å; I133-F309 HydrophobicContact CG1-CE1 4.27Å; I133-F309 HydrophobicContact CG2-CE1 4.21Å; C136-F309 HydrophobicContact CB-CD1 4.48Å; C136-F309 HydrophobicContact CB-CE1 3.72Å; C136-F309 HydrophobicContact CB-CE2 3.94Å; C136-F309 HydrophobicContact CB-CZ 3.39Å; H137-F309 AromaticContact CD2-CZ 3.5Å; H137-F309 AromaticContact NE2-CZ 3.95Å; Y271-F309 HydrophobicContact CD1-CD2 4.19Å; Y271-F309 HydrophobicContact CD1-CE2 4.39Å; Y271-F309 HydrophobicContact CD1-CG 4.44Å; Y271-F309 HydrophobicContact CE1-CD1 4.31Å; Y271-F309 AromaticContact CE1-CD2 3.95Å; Y271-F309 HydrophobicContact CE1-CD2 3.95Å; Y271-F309 HydrophobicContact CE1-CE1 4.07Å; Y271-F309 AromaticContact CE1-CE2 3.74Å; Y271-F309 HydrophobicContact CE1-CE2 3.74Å; Y271-F309 HydrophobicContact CE1-CG 4.24Å; Y271-F309 AromaticContact CE1-CZ 3.79Å; Y271-F309 HydrophobicContact CE1-CZ 3.79Å; Y271-F309 HydrophobicContact CE2-CD1 4.04Å; Y271-F309 HydrophobicContact CE2-CE1 4.13Å; Y271-F309 HydrophobicContact CE2-CG 4.44Å; Y271-F309 AromaticContact CZ-CD1 3.92Å; Y271-F309 AromaticContact CZ-CE1 3.62Å; Y271-F309 AromaticContact CZ-CZ 3.76Å; Y271-F309 WeakPolarHBondContact OH-CE1 3.46Å; L305-F309 HydrophobicContact CD2-CD2 3.93Å; L305-F309 HydrophobicContact CD2-CE2 3.67Å; L305-F309 WeakPolarHBondContact O-CB 3.38Å; L305-F309 VanDerWaalsContact O-CD2 3.32Å; L305-F309 WeakPolarHBondContact O-CD2 3.14Å; L305-F309 PolarHBondContact O-N 3.34Å; F309-D311 VanDerWaalsContact C-N 3.26Å; F309-D311 PolarHBondContact O-N 3.34Å; F309-L312 HydrophobicContact CD1-CD1 3.77Å; F309-L312 HydrophobicContact CD1-CG 4.43Å; F309-L312 HydrophobicContact CE1-CD1 4.47Å; F309-L312 CarbonylContact O-C 3.52Å; F309-L312 WeakPolarHBondContact O-CA 3.47Å; F309-L312 WeakPolarHBondContact O-CB 3.23Å; F309-L312 PolarHBondContact O-N 3.07Å; F309-L313 WeakPolarHBondContact O-CG 3.34Å; F309-L313 PolarHBondContact O-N 2.96Å
310R75.3Confident67.7Low141 Ų14160 Ų6053%0.53231%0.308SS..Hα-helixtrans-54.2-41.7178.4-176.6-178.4-56.4-156.80.6112.8A306 M307 L312 L313 D314A306-R310 PolarHBondContact O-N 2.95Å; M307-R310 WeakPolarHBondContact O-CB 3.3Å; R310-L312 PolarHBondContact O-N 3.14Å; R310-L313 PolarHBondContact O-N 2.92Å; R310-L313 VanDerWaalsContact O-N 3.16Å; R310-D314 WeakPolarHBondContact CD-OD2 3.09Å; R310-D314 WeakPolarHBondContact CG-OD2 3.2Å; R310-D314 VanDerWaalsContact O-CB 3.24Å; R310-D314 WeakPolarHBondContact O-CB 3.43Å; R310-D314 VanDerWaalsContact O-CG 3.27Å; R310-D314 PolarHBondContact O-N 2.79Å
311D68.2Low65.7Low46 Ų4657.3 Ų57.325%0.24630%0.296CS..Hα-helixtrans-59.5-26.1174.957.8-40.6000112.9R109 H131 F309 L315R109-D311 IonicContact NH2-OD1 2.98Å; H131-D311 IonicContact CD2-OD1 3.44Å; H131-D311 IonicContact CD2-OD2 2.74Å; H131-D311 PolarHBondContact CD2-OD2 3.18Å; H131-D311 VanDerWaalsContact CD2-OD2 3.27Å; H131-D311 IonicContact CG-OD2 3.36Å; H131-D311 PolarHBondContact N-OD2 2.85Å; F309-D311 VanDerWaalsContact C-N 3.26Å; F309-D311 PolarHBondContact O-N 3.34Å; D311-L315 WeakPolarHBondContact O-CD1 3.39Å; D311-L315 WeakPolarHBondContact O-CG 3.44Å
312L68.7Low63.8Low5 Ų560.7 Ų60.73%0.02632%0.316CS..Hα-helixtrans-86.3-40.7172.4-56.8-170.4000113V130 I133 I267 I268 Y271 F309 R310 L315 F355V130-L312 HydrophobicContact CG1-CD2 4.37Å; I133-L312 HydrophobicContact CD1-CD1 4.37Å; I133-L312 HydrophobicContact CG1-CD1 4.33Å; I267-L312 HydrophobicContact CG2-CD1 4.17Å; I268-L312 WeakPolarHBondContact CD1-O 3.34Å; Y271-L312 HydrophobicContact CE2-CD1 4.47Å; F309-L312 HydrophobicContact CD1-CD1 3.77Å; F309-L312 HydrophobicContact CD1-CG 4.43Å; F309-L312 HydrophobicContact CE1-CD1 4.47Å; F309-L312 CarbonylContact O-C 3.52Å; F309-L312 WeakPolarHBondContact O-CA 3.47Å; F309-L312 WeakPolarHBondContact O-CB 3.23Å; F309-L312 PolarHBondContact O-N 3.07Å; R310-L312 PolarHBondContact O-N 3.14Å; L312-L315 HydrophobicContact CD2-CD1 4.08Å; L312-L315 WeakPolarHBondContact O-CB 3.41Å; L312-L315 PolarHBondContact O-N 3.28Å; L312-F355 HydrophobicContact CD1-CE1 4.16Å; L312-F355 HydrophobicContact CD1-CZ 4.11Å; L312-F355 HydrophobicContact CD2-CE1 3.95Å; L312-F355 HydrophobicContact CD2-CZ 3.58Å
313L66.6Low62.2Low51 Ų5162.7 Ų62.727%0.26733%0.326SS..Hα-helixtrans-70.9-35.7-177.9-64.4173.7000112.3I268 F309 R310 L315I268-L313 HydrophobicContact CG1-CD2 4.44Å; I268-L313 HydrophobicContact CG2-CD2 4.08Å; F309-L313 WeakPolarHBondContact O-CG 3.34Å; F309-L313 PolarHBondContact O-N 2.96Å; R310-L313 PolarHBondContact O-N 2.92Å; R310-L313 VanDerWaalsContact O-N 3.16Å; L313-L315 PolarHBondContact O-N 3.32Å
314D68.4Low60Low113 Ų11361.7 Ų61.760%0.60431%0.312SS*.THydrogen-bonded Turntrans-81.8-1.4-179.7-65.8-4.1000112.4R310 E316R310-D314 WeakPolarHBondContact CD-OD2 3.09Å; R310-D314 WeakPolarHBondContact CG-OD2 3.2Å; R310-D314 VanDerWaalsContact O-CB 3.24Å; R310-D314 WeakPolarHBondContact O-CB 3.43Å; R310-D314 VanDerWaalsContact O-CG 3.27Å; R310-D314 PolarHBondContact O-N 2.79Å; D314-E316 PolarHBondContact O-N 3.34Å
315L62.8Low58.2Low37 Ų3769.2 Ų69.219%0.19434%0.344CS..SBendtrans-64.3111.9172.5-80.5153.8000108.6D311 L312 L313 V317 L351D311-L315 WeakPolarHBondContact O-CD1 3.39Å; D311-L315 WeakPolarHBondContact O-CG 3.44Å; L312-L315 HydrophobicContact CD2-CD1 4.08Å; L312-L315 WeakPolarHBondContact O-CB 3.41Å; L312-L315 PolarHBondContact O-N 3.28Å; L313-L315 PolarHBondContact O-N 3.32Å; L315-V317 WeakPolarHBondContact O-CG2 3.38Å; L315-V317 PolarHBondContact O-N 2.83Å; L315-L351 HydrophobicContact CD1-CD2 4Å
316E52Low56.5Low188 Ų18876 Ų7688%0.87938%0.376SS*.  trans-56.1110.5174-70-177174.500110.3D314D314-E316 PolarHBondContact O-N 3.34Å
317V49Very low54.9Low39 Ų3977.1 Ų77.124%0.23639%0.385CS..  trans-106122.8169.5-174.80000106.9K264 V265 I268 L315 V319 V321 V322K264-V317 HydrophobicContact CB-CG2 4.31Å; K264-V317 HydrophobicContact CD-CG2 4.04Å; K264-V317 HydrophobicContact CG-CG2 4.47Å; V265-V317 HydrophobicContact CG2-CG1 3.97Å; I268-V317 HydrophobicContact CD1-CG2 4.07Å; L315-V317 WeakPolarHBondContact O-CG2 3.38Å; L315-V317 PolarHBondContact O-N 2.83Å; V317-V319 PolarHBondContact O-N 3.15Å; V317-V321 HydrophobicContact CG1-CB 3.82Å; V317-V321 HydrophobicContact CG1-CG1 3.81Å; V317-V322 HydrophobicContact CG1-CG2 3.99Å
318L42.7Very low52.9Low95 Ų9579.5 Ų79.550%0.49740%0.399SS..  trans-62131.1175.2-62.7168.1000108.9W320 V321L318-W320 VanDerWaalsContact CB-CD1 3.48Å; L318-W320 HydrophobicContact CB-CG 4.37Å; L318-W320 HydrophobicContact CD1-CZ2 4.19Å; L318-W320 PolarHBondContact O-N 3.35Å; L318-V321 HydrophobicContact CB-CG2 4.24Å; L318-V321 VanDerWaalsContact O-CB 3.22Å; L318-V321 WeakPolarHBondContact O-CB 3.43Å; L318-V321 PolarHBondContact O-N 2.87Å
319V39.4Very low51.4Low102 Ų10283 Ų8362%0.61842%0.424SS*.Hα-helixtrans-52.6-33.4-172.5176.70000113.2V317 V321 V322 Q323V317-V319 PolarHBondContact O-N 3.15Å; V319-V321 VanDerWaalsContact C-N 3.26Å; V319-V321 PolarHBondContact O-N 3.29Å; V319-V322 WeakPolarHBondContact O-CB 3.22Å; V319-V322 PolarHBondContact O-N 2.55Å; V319-Q323 PolarHBondContact O-N 2.57Å; V319-Q323 VanDerWaalsContact O-N 3.09Å
320W40.7Very low50.3Low88 Ų8888.5 Ų88.533%0.33346%0.458SS..Hα-helixtrans-68.7-19.6177.666.4-94.1000114.4L318 V322 Q323 L324 L340 L344L318-W320 VanDerWaalsContact CB-CD1 3.48Å; L318-W320 HydrophobicContact CB-CG 4.37Å; L318-W320 HydrophobicContact CD1-CZ2 4.19Å; L318-W320 PolarHBondContact O-N 3.35Å; W320-V322 VanDerWaalsContact C-N 3.31Å; W320-Q323 CarbonylContact O-C 3.59Å; W320-L324 WeakPolarHBondContact O-CA 3.37Å; W320-L324 PolarHBondContact O-N 3.28Å; W320-L340 HydrophobicContact CH2-CB 4.12Å; W320-L340 HydrophobicContact CZ2-CB 4.45Å; W320-L340 HydrophobicContact CZ2-CD2 4.4Å; W320-L344 HydrophobicContact CE3-CD1 4.4Å; W320-L344 HydrophobicContact CH2-CD1 3.02Å; W320-L344 HydrophobicContact CH2-CD2 4.21Å; W320-L344 HydrophobicContact CH2-CG 3.68Å; W320-L344 HydrophobicContact CZ2-CD1 3.72Å; W320-L344 HydrophobicContact CZ2-CD2 4.04Å; W320-L344 HydrophobicContact CZ2-CG 3.96Å; W320-L344 HydrophobicContact CZ3-CD1 3.4Å; W320-L344 VanDerWaalsContact CZ3-CD1 3.4Å; W320-L344 HydrophobicContact CZ3-CG 4.48Å
321V40.2Very low48.8Very low17 Ų1788.8 Ų88.810%0.10347%0.47CS..Hα-helixtrans-73.8-27.1171.5176.50000110.4L262 V265 V317 L318 V319 L344L262-V321 WeakPolarHBondContact CD1-O 3.41Å; L262-V321 HydrophobicContact CD2-CB 4.45Å; L262-V321 HydrophobicContact CD2-CG1 3.34Å; L262-V321 WeakPolarHBondContact CD2-O 3.1Å; V265-V321 HydrophobicContact CG2-CG1 4.12Å; V317-V321 HydrophobicContact CG1-CB 3.82Å; V317-V321 HydrophobicContact CG1-CG1 3.81Å; L318-V321 HydrophobicContact CB-CG2 4.24Å; L318-V321 VanDerWaalsContact O-CB 3.22Å; L318-V321 WeakPolarHBondContact O-CB 3.43Å; L318-V321 PolarHBondContact O-N 2.87Å; V319-V321 VanDerWaalsContact C-N 3.26Å; V319-V321 PolarHBondContact O-N 3.29Å; V321-L344 HydrophobicContact CG2-CD1 3.94Å; V321-L344 HydrophobicContact CG2-CD2 3.6Å; V321-L344 HydrophobicContact CG2-CG 4.43Å
322V38.3Very low47.6Very low74 Ų7489.9 Ų89.945%0.44848%0.481SS..Hα-helixtrans-83.6-29.2174.8-175.80000111.2V265 V317 V319 W320V265-V322 HydrophobicContact CG1-CB 4.31Å; V265-V322 HydrophobicContact CG1-CG1 4.01Å; V265-V322 HydrophobicContact CG1-CG2 4.02Å; V265-V322 HydrophobicContact CG2-CG2 3.97Å; V317-V322 HydrophobicContact CG1-CG2 3.99Å; V319-V322 WeakPolarHBondContact O-CB 3.22Å; V319-V322 PolarHBondContact O-N 2.55Å; W320-V322 VanDerWaalsContact C-N 3.31Å
323Q43Very low46.6Very low88 Ų8896.4 Ų96.441%0.41151%0.511SS..  trans-121.855.3-176.4-63.7179.2-26.700111.5V319 W320 F325 Q326V319-Q323 PolarHBondContact O-N 2.57Å; V319-Q323 VanDerWaalsContact O-N 3.09Å; W320-Q323 CarbonylContact O-C 3.59Å; Q323-F325 PolarHBondContact O-N 3.08Å; Q323-Q326 HydrophobicContact CB-CB 4.04Å; Q323-Q326 HydrophobicContact CB-CG 4.18Å; Q323-Q326 VanDerWaalsContact NE2-OE1 3.13Å; Q323-Q326 PolarHBondContact O-N 3.41Å
324L35.2Very low45.9Very low41 Ų4199.9 Ų99.922%0.21553%0.528CS..THydrogen-bonded Turntrans-58.8-16.9-171-148.799.4000114.9F259 W320F259-L324 HydrophobicContact CD1-CD1 4.27Å; F259-L324 HydrophobicContact CD1-CD2 3.69Å; F259-L324 HydrophobicContact CD2-CD2 4.25Å; F259-L324 HydrophobicContact CE1-CD1 3.47Å; F259-L324 VanDerWaalsContact CE1-CD1 3.47Å; F259-L324 HydrophobicContact CE1-CD2 3.32Å; F259-L324 HydrophobicContact CE1-CG 3.99Å; F259-L324 HydrophobicContact CE2-CD2 3.92Å; F259-L324 HydrophobicContact CG-CD2 4.15Å; F259-L324 HydrophobicContact CZ-CD1 4Å; F259-L324 HydrophobicContact CZ-CD2 3.46Å; F259-L324 VanDerWaalsContact CZ-CD2 3.46Å; F259-L324 HydrophobicContact CZ-CG 4.22Å; W320-L324 WeakPolarHBondContact O-CA 3.37Å; W320-L324 PolarHBondContact O-N 3.28Å
325F43.7Very low44.9Very low169 Ų16997.8 Ų97.874%0.74153%0.527SS*.THydrogen-bonded Turntrans-113.69.9-179.6-58.3-75.5000113.8Q323Q323-F325 PolarHBondContact O-N 3.08Å
326Q43.5Very low44.1Very low144 Ų144100 Ų10067%0.67354%0.538SS*.THydrogen-bonded Turntrans-110.5-2.9178.3-58.9-173.2-16.300113.8Q323Q323-Q326 HydrophobicContact CB-CB 4.04Å; Q323-Q326 HydrophobicContact CB-CG 4.18Å; Q323-Q326 VanDerWaalsContact NE2-OE1 3.13Å; Q323-Q326 PolarHBondContact O-N 3.41Å
327A42Very low43.9Very low61 Ų6194.1 Ų94.150%0.50451%0.51SS..SBendtrans-84.2126.7170.600000109.6V329A327-V329 WeakPolarHBondContact O-CG2 3.2Å; A327-V329 PolarHBondContact O-N 3.42Å; A327-V329 VanDerWaalsContact O-N 3.15Å
328D40.8Very low44Very low133 Ų13397.8 Ų97.871%0.71153%0.525SS*.  trans-66.4112178.9-149.7-19000109.4V330D328-V330 PolarHBondContact O-N 3.13Å; D328-V330 VanDerWaalsContact O-N 3.15Å; D328-V330 WeakPolarHBondContact OD1-CG2 3.31Å
329V45.6Very low44.1Very low108 Ų108100 Ų10066%0.65553%0.532SS*.G310 helixtrans-73.9-4.9-168.4-176.40000111.9A327 D331A327-V329 WeakPolarHBondContact O-CG2 3.2Å; A327-V329 PolarHBondContact O-N 3.42Å; A327-V329 VanDerWaalsContact O-N 3.15Å; V329-D331 PolarHBondContact O-N 2.62Å
330V49.4Very low44.4Very low118 Ų11898.4 Ų98.472%0.71552%0.52SS*.G310 helixtrans-78.9-18.6-167.2-171.70000113.3D328D328-V330 PolarHBondContact O-N 3.13Å; D328-V330 VanDerWaalsContact O-N 3.15Å; D328-V330 WeakPolarHBondContact OD1-CG2 3.31Å
331D45.6Very low44.9Very low147 Ų14796.2 Ų96.279%0.78652%0.516SS*.G310 helixtrans-112.83.5-170.1-70.1-30.4000116.4V329V329-D331 PolarHBondContact O-N 2.62Å
332C43Very low45.3Very low70 Ų70100.1 Ų100.147%0.47354%0.537SS..SBendtrans-106.4119.8-178-890000112.6I334 Q337C332-I334 PolarHBondContact O-N 3.03Å; C332-Q337 HydrophobicContact CB-CG 4.14Å
333E47.4Very low45.8Very low141 Ų14198.9 Ų98.966%0.65954%0.535SS*.  trans-54.5135.5171.9-71.8-177.6162.800111.8A335 I336 Q337E333-A335 PolarHBondContact O-N 3.35Å; E333-A335 VanDerWaalsContact O-N 3.13Å; E333-I336 HydrophobicContact CB-CD1 4.09Å; E333-I336 HydrophobicContact CB-CG1 4.19Å; E333-I336 WeakPolarHBondContact O-CB 3.36Å; E333-I336 PolarHBondContact O-N 3Å; E333-Q337 PolarHBondContact O-N 3.26Å
334I50.5Low46.2Very low124 Ų12496.5 Ų96.564%0.63652%0.524SS*.Hα-helixtrans-54.6-35.6-177-64.3170000112.2C332 I336 Q337 E338C332-I334 PolarHBondContact O-N 3.03Å; I334-I336 VanDerWaalsContact C-N 3.32Å; I334-I336 PolarHBondContact O-N 2.97Å; I334-Q337 WeakPolarHBondContact O-CB 3.2Å; I334-Q337 PolarHBondContact O-N 3.23Å; I334-E338 PolarHBondContact O-N 3.49Å
335A47.3Very low47Very low70 Ų7098.2 Ų98.258%0.57953%0.528SS*.Hα-helixtrans-66.3-33.4178.200000113E333 H339E333-A335 PolarHBondContact O-N 3.35Å; E333-A335 VanDerWaalsContact O-N 3.13Å; A335-H339 WeakPolarHBondContact O-CB 3.44Å; A335-H339 PolarHBondContact O-N 3.05Å
336I45.9Very low47.5Very low82 Ų8294.1 Ų94.142%0.42151%0.511SS..Hα-helixtrans-72.8-38.5175.5-58.4176000109.3E333 I334 H339 L340E333-I336 HydrophobicContact CB-CD1 4.09Å; E333-I336 HydrophobicContact CB-CG1 4.19Å; E333-I336 WeakPolarHBondContact O-CB 3.36Å; E333-I336 PolarHBondContact O-N 3Å; I334-I336 VanDerWaalsContact C-N 3.32Å; I334-I336 PolarHBondContact O-N 2.97Å; I336-H339 PolarHBondContact O-N 3.28Å; I336-L340 HydrophobicContact CG2-CD1 3.76Å; I336-L340 HydrophobicContact CG2-CG 4.25Å; I336-L340 VanDerWaalsContact O-CB 3.29Å; I336-L340 WeakPolarHBondContact O-CB 3.4Å; I336-L340 WeakPolarHBondContact O-CG 3.26Å; I336-L340 PolarHBondContact O-N 3.25Å
337Q48.3Very low48Very low65 Ų6593.5 Ų93.530%0.30451%0.506SS..Hα-helixtrans-62.3-46.6175.4-67.5-179-17.100112.2C332 E333 I334 L340 V341C332-Q337 HydrophobicContact CB-CG 4.14Å; E333-Q337 PolarHBondContact O-N 3.26Å; I334-Q337 WeakPolarHBondContact O-CB 3.2Å; I334-Q337 PolarHBondContact O-N 3.23Å; Q337-L340 PolarHBondContact O-N 2.91Å; Q337-V341 WeakPolarHBondContact O-CB 3.49Å; Q337-V341 WeakPolarHBondContact O-CG2 3.49Å; Q337-V341 PolarHBondContact O-N 3.24Å
338E50.6Low48.5Very low117 Ų11792.3 Ų92.355%0.54750%0.496SS..Hα-helixtrans-64.1-42177.6-75.1-171.7162.700112.5I334 V341 N342I334-E338 PolarHBondContact O-N 3.49Å; E338-V341 PolarHBondContact O-N 2.85Å; E338-N342 WeakPolarHBondContact O-CB 3.4Å; E338-N342 VanDerWaalsContact O-CG 3.24Å; E338-N342 PolarHBondContact O-N 3.27Å; E338-N342 PolarHBondContact O-ND2 2.98Å; E338-N342 VanDerWaalsContact O-ND2 3.09Å
339H46.5Very low49.2Very low140 Ų14089 Ų8965%0.64847%0.474SS*.Hα-helixtrans-64.8-41.9177.5-167.474.3000111.9A335 I336 N342 A343A335-H339 WeakPolarHBondContact O-CB 3.44Å; A335-H339 PolarHBondContact O-N 3.05Å; I336-H339 PolarHBondContact O-N 3.28Å; H339-N342 PolarHBondContact O-N 2.82Å; H339-A343 WeakPolarHBondContact O-CB 2.95Å; H339-A343 PolarHBondContact O-N 3.42Å
340L45.8Very low49.8Very low69 Ų6986.1 Ų86.136%0.36145%0.454SS..Hα-helixtrans-65.1-43.6175.4-74.2171.1000111.7W320 I336 Q337 A343 L344W320-L340 HydrophobicContact CH2-CB 4.12Å; W320-L340 HydrophobicContact CZ2-CB 4.45Å; W320-L340 HydrophobicContact CZ2-CD2 4.4Å; I336-L340 HydrophobicContact CG2-CD1 3.76Å; I336-L340 HydrophobicContact CG2-CG 4.25Å; I336-L340 VanDerWaalsContact O-CB 3.29Å; I336-L340 WeakPolarHBondContact O-CB 3.4Å; I336-L340 WeakPolarHBondContact O-CG 3.26Å; I336-L340 PolarHBondContact O-N 3.25Å; Q337-L340 PolarHBondContact O-N 2.91Å; L340-A343 PolarHBondContact O-N 3.19Å; L340-L344 VanDerWaalsContact O-CB 3.31Å; L340-L344 WeakPolarHBondContact O-CB 3.45Å; L340-L344 VanDerWaalsContact O-CG 3.24Å; L340-L344 WeakPolarHBondContact O-CG 3.4Å; L340-L344 PolarHBondContact O-N 3.37Å
341V50.1Low50.2Low42 Ų4280.6 Ų80.626%0.25542%0.421SS..Hα-helixtrans-63.2-42.3177.61700000111.2P255 Q337 E338 L344 W345P255-V341 HydrophobicContact CB-CG1 4.29Å; Q337-V341 WeakPolarHBondContact O-CB 3.49Å; Q337-V341 WeakPolarHBondContact O-CG2 3.49Å; Q337-V341 PolarHBondContact O-N 3.24Å; E338-V341 PolarHBondContact O-N 2.85Å; V341-L344 PolarHBondContact O-N 3.1Å; V341-W345 VanDerWaalsContact O-CB 3.28Å; V341-W345 WeakPolarHBondContact O-CB 3.4Å; V341-W345 PolarHBondContact O-N 3.16Å
342N49.3Very low50.7Low99 Ų9974.5 Ų74.553%0.52939%0.388SS..Hα-helixtrans-66.1-43.3176.4-73-33.1000112.1E338 H339 L344 W345 E346E338-N342 WeakPolarHBondContact O-CB 3.4Å; E338-N342 VanDerWaalsContact O-CG 3.24Å; E338-N342 PolarHBondContact O-N 3.27Å; E338-N342 PolarHBondContact O-ND2 2.98Å; E338-N342 VanDerWaalsContact O-ND2 3.09Å; H339-N342 PolarHBondContact O-N 2.82Å; N342-L344 VanDerWaalsContact C-N 3.35Å; N342-L344 PolarHBondContact O-N 3.38Å; N342-W345 PolarHBondContact O-N 2.85Å; N342-E346 PolarHBondContact O-N 3.31Å
343A48.4Very low51.5Low49 Ų4971.3 Ų71.341%0.40537%0.367SS..Hα-helixtrans-65.5-37.2176.500000112.5H339 L340 K347H339-A343 WeakPolarHBondContact O-CB 2.95Å; H339-A343 PolarHBondContact O-N 3.42Å; L340-A343 PolarHBondContact O-N 3.19Å; A343-K347 PolarHBondContact O-N 2.73Å
344L51.1Low52.2Low37 Ų3764.6 Ų64.619%0.19434%0.335CS..Hα-helixtrans-65.7-43.9172.4-79.5-173.2000112W320 V321 L340 V341 N342 E346 K347 A348W320-L344 HydrophobicContact CE3-CD1 4.4Å; W320-L344 HydrophobicContact CH2-CD1 3.02Å; W320-L344 HydrophobicContact CH2-CD2 4.21Å; W320-L344 HydrophobicContact CH2-CG 3.68Å; W320-L344 HydrophobicContact CZ2-CD1 3.72Å; W320-L344 HydrophobicContact CZ2-CD2 4.04Å; W320-L344 HydrophobicContact CZ2-CG 3.96Å; W320-L344 HydrophobicContact CZ3-CD1 3.4Å; W320-L344 VanDerWaalsContact CZ3-CD1 3.4Å; W320-L344 HydrophobicContact CZ3-CG 4.48Å; V321-L344 HydrophobicContact CG2-CD1 3.94Å; V321-L344 HydrophobicContact CG2-CD2 3.6Å; V321-L344 HydrophobicContact CG2-CG 4.43Å; L340-L344 VanDerWaalsContact O-CB 3.31Å; L340-L344 WeakPolarHBondContact O-CB 3.45Å; L340-L344 VanDerWaalsContact O-CG 3.24Å; L340-L344 WeakPolarHBondContact O-CG 3.4Å; L340-L344 PolarHBondContact O-N 3.37Å; V341-L344 PolarHBondContact O-N 3.1Å; N342-L344 VanDerWaalsContact C-N 3.35Å; N342-L344 PolarHBondContact O-N 3.38Å; L344-E346 VanDerWaalsContact C-N 3.31Å; L344-E346 PolarHBondContact O-N 3.05Å; L344-K347 PolarHBondContact O-N 3.37Å; L344-A348 WeakPolarHBondContact O-CB 3.42Å; L344-A348 PolarHBondContact O-N 3.46Å
345W52.4Low52.7Low77 Ų7759.4 Ų59.429%0.29231%0.308SS..Hα-helixtrans-59.9-43.9179.3-179.1-108000111V250 P260 V341 N342 K347 A348 R349V250-W345 HydrophobicContact CG1-CH2 3.28Å; V250-W345 HydrophobicContact CG1-CZ2 3.2Å; P260-W345 HydrophobicContact CG-CH2 4.41Å; P260-W345 HydrophobicContact CG-CZ3 4.16Å; V341-W345 VanDerWaalsContact O-CB 3.28Å; V341-W345 WeakPolarHBondContact O-CB 3.4Å; V341-W345 PolarHBondContact O-N 3.16Å; N342-W345 PolarHBondContact O-N 2.85Å; W345-K347 VanDerWaalsContact C-N 3.34Å; W345-K347 PolarHBondContact O-N 3.28Å; W345-A348 PolarHBondContact O-N 3.27Å; W345-R349 WeakPolarHBondContact O-CB 3.2Å; W345-R349 PolarHBondContact O-N 2.79Å
346E53.7Low53.1Low84 Ų8457 Ų5739%0.39329%0.287SS..Hα-helixtrans-60.7-42175.6-75.4-56.8140.100112.3N342 L344 R349 L350N342-E346 PolarHBondContact O-N 3.31Å; L344-E346 VanDerWaalsContact C-N 3.31Å; L344-E346 PolarHBondContact O-N 3.05Å; E346-R349 IonicContact OE1-CZ 3.83Å; E346-R349 IonicContact OE1-NE 3.42Å; E346-R349 PolarHBondContact OE1-NE 3.31Å; E346-R349 IonicContact OE1-NH2 3.66Å; E346-R349 IonicContact OE2-CZ 3.31Å; E346-R349 VanDerWaalsContact OE2-CZ 3.31Å; E346-R349 IonicContact OE2-NE 3.04Å; E346-R349 PolarHBondContact OE2-NE 2.9Å; E346-R349 IonicContact OE2-NH2 2.74Å; E346-R349 PolarHBondContact OE2-NH2 3.4Å; E346-L350 VanDerWaalsContact O-CG 3.24Å; E346-L350 WeakPolarHBondContact O-CG 3.33Å; E346-L350 PolarHBondContact O-N 3.41Å; E346-L350 VanDerWaalsContact O-N 3.08Å
347K53.9Low53.7Low131 Ų13154.4 Ų54.457%0.5728%0.275SS*.Hα-helixtrans-66.2-42.4174.9-72.7-173178.6-173.70112.4A343 L344 W345 L350 L351A343-K347 PolarHBondContact O-N 2.73Å; L344-K347 PolarHBondContact O-N 3.37Å; W345-K347 VanDerWaalsContact C-N 3.34Å; W345-K347 PolarHBondContact O-N 3.28Å; K347-L350 PolarHBondContact O-N 3.2Å; K347-L351 WeakPolarHBondContact O-CD1 3.38Å
348A53Low53.9Low35 Ų3551.9 Ų51.929%0.28926%0.264SS..Hα-helixtrans-65.2-4417800000111.6L344 W345 L350 L351 L352L344-A348 WeakPolarHBondContact O-CB 3.42Å; L344-A348 PolarHBondContact O-N 3.46Å; W345-A348 PolarHBondContact O-N 3.27Å; A348-L350 VanDerWaalsContact C-N 3.33Å; A348-L350 PolarHBondContact O-N 3.26Å; A348-L351 PolarHBondContact O-N 3.26Å; A348-L351 VanDerWaalsContact O-N 3.08Å; A348-L352 PolarHBondContact O-N 3.09Å
349R55Low54Low64 Ų6452.1 Ų52.124%0.24226%0.26CS..Hα-helixtrans-58.4-43.3176.5-172.2177.578.9108.1-3.6111.4W345 E346 L351 L352 L353W345-R349 WeakPolarHBondContact O-CB 3.2Å; W345-R349 PolarHBondContact O-N 2.79Å; E346-R349 IonicContact OE1-CZ 3.83Å; E346-R349 IonicContact OE1-NE 3.42Å; E346-R349 PolarHBondContact OE1-NE 3.31Å; E346-R349 IonicContact OE1-NH2 3.66Å; E346-R349 IonicContact OE2-CZ 3.31Å; E346-R349 VanDerWaalsContact OE2-CZ 3.31Å; E346-R349 IonicContact OE2-NE 3.04Å; E346-R349 PolarHBondContact OE2-NE 2.9Å; E346-R349 IonicContact OE2-NH2 2.74Å; E346-R349 PolarHBondContact OE2-NH2 3.4Å; R349-L351 PolarHBondContact O-N 3.13Å; R349-L352 WeakPolarHBondContact O-CB 3.28Å; R349-L352 PolarHBondContact O-N 3.39Å; R349-L353 HydrophobicContact CG-CD1 4.03Å; R349-L353 WeakPolarHBondContact O-CB 3.43Å; R349-L353 WeakPolarHBondContact O-CD1 3.41Å; R349-L353 WeakPolarHBondContact O-CG 3.22Å; R349-L353 PolarHBondContact O-N 2.92Å
350L58.8Low54.5Low47 Ų4745.7 Ų45.725%0.24623%0.231CC..Hα-helixtrans-59-33.4175.5-75.8169.7000113.1L103 E346 K347 A348 A354L103-L350 HydrophobicContact CB-CD2 3.57Å; L103-L350 HydrophobicContact CD1-CD2 3.76Å; L103-L350 HydrophobicContact CD2-CD2 4.33Å; L103-L350 HydrophobicContact CG-CD2 4.1Å; E346-L350 VanDerWaalsContact O-CG 3.24Å; E346-L350 WeakPolarHBondContact O-CG 3.33Å; E346-L350 PolarHBondContact O-N 3.41Å; E346-L350 VanDerWaalsContact O-N 3.08Å; K347-L350 PolarHBondContact O-N 3.2Å; A348-L350 VanDerWaalsContact C-N 3.33Å; A348-L350 PolarHBondContact O-N 3.26Å; L350-A354 VanDerWaalsContact O-CB 3.25Å; L350-A354 WeakPolarHBondContact O-CB 3.34Å; L350-A354 PolarHBondContact O-N 3.07Å
351L57.7Low54.9Low3 Ų343 Ų432%0.01622%0.217CC..Hα-helixtrans-84.1-40.3-179.9-60.9139.3000112.2L128 K264 L315 K347 A348 R349 L353 A354 F355L128-L351 HydrophobicContact CD2-CD2 4.15Å; K264-L351 HydrophobicContact CB-CD1 4.42Å; K264-L351 HydrophobicContact CD-CD1 3.17Å; K264-L351 HydrophobicContact CD-CD2 4.21Å; K264-L351 HydrophobicContact CD-CG 4.23Å; K264-L351 HydrophobicContact CG-CD1 3.57Å; K264-L351 HydrophobicContact CG-CD2 4.18Å; K264-L351 HydrophobicContact CG-CG 4.37Å; L315-L351 HydrophobicContact CD1-CD2 4Å; K347-L351 WeakPolarHBondContact O-CD1 3.38Å; A348-L351 PolarHBondContact O-N 3.26Å; A348-L351 VanDerWaalsContact O-N 3.08Å; R349-L351 PolarHBondContact O-N 3.13Å; L351-L353 PolarHBondContact O-N 2.94Å; L351-A354 PolarHBondContact O-N 2.76Å; L351-F355 HydrophobicContact CB-CE2 4.13Å; L351-F355 HydrophobicContact CD2-CE2 4.41Å; L351-F355 WeakPolarHBondContact O-CD2 3.36Å; L351-F355 PolarHBondContact O-N 3.08Å
352L56.9Low55.3Low18 Ų1842.9 Ų42.99%0.09421%0.214CC..Hα-helixtrans-50.8-42.1167.2-92.2157.2000111.6R56 W245 A348 R349R56-L352 PolarHBondContact NE-O 3.16Å; W245-L352 HydrophobicContact CH2-CB 4.32Å; W245-L352 HydrophobicContact CH2-CD2 3.26Å; W245-L352 HydrophobicContact CH2-CG 3.58Å; W245-L352 HydrophobicContact CZ2-CD1 4.49Å; W245-L352 HydrophobicContact CZ2-CD2 3.05Å; W245-L352 HydrophobicContact CZ2-CG 3.57Å; W245-L352 HydrophobicContact CZ3-CD2 4.35Å; A348-L352 PolarHBondContact O-N 3.09Å; R349-L352 WeakPolarHBondContact O-CB 3.28Å; R349-L352 PolarHBondContact O-N 3.39Å
353L59.5Low56Low4 Ų440.8 Ų40.82%0.02120%0.201CC..Hα-helixtrans-70.4-39.5174.5-86.4164.5000112.4T36 R56 M65 L103 R349 L351 F355T36-L353 WeakPolarHBondContact CB-O 3.25Å; T36-L353 VanDerWaalsContact CG2-O 3.28Å; T36-L353 WeakPolarHBondContact CG2-O 3.42Å; T36-L353 VanDerWaalsContact OG1-C 3.25Å; T36-L353 WeakPolarHBondContact OG1-CB 3.45Å; T36-L353 PolarHBondContact OG1-O 3.18Å; T36-L353 VanDerWaalsContact OG1-O 3.11Å; R56-L353 HydrophobicContact CG-CD2 4.42Å; R56-L353 WeakPolarHBondContact O-CD2 3.46Å; M65-L353 HydrophobicContact CE-CD2 3.2Å; M65-L353 HydrophobicContact CE-CG 3.83Å; L103-L353 HydrophobicContact CD1-CD1 4.03Å; R349-L353 HydrophobicContact CG-CD1 4.03Å; R349-L353 WeakPolarHBondContact O-CB 3.43Å; R349-L353 WeakPolarHBondContact O-CD1 3.41Å; R349-L353 WeakPolarHBondContact O-CG 3.22Å; R349-L353 PolarHBondContact O-N 2.92Å; L351-L353 PolarHBondContact O-N 2.94Å; L353-F355 VanDerWaalsContact C-N 3.27Å; L353-F355 PolarHBondContact O-N 3.46Å
354A60.4Low56.7Low0 Ų038.4 Ų38.40%018%0.181CC..Hα-helixtrans-71.1-11.9-176.200000115A104 T106 L128 V130 L350 L351 P356A104-A354 HydrophobicContact CB-CB 3.83Å; T106-A354 PolarHBondContact OG1-O 3.2Å; L128-A354 HydrophobicContact CD2-CB 4.12Å; V130-A354 HydrophobicContact CG2-CB 3.91Å; L350-A354 VanDerWaalsContact O-CB 3.25Å; L350-A354 WeakPolarHBondContact O-CB 3.34Å; L350-A354 PolarHBondContact O-N 3.07Å; L351-A354 PolarHBondContact O-N 2.76Å; A354-P356 VanDerWaalsContact O-CD 3.27Å; A354-P356 WeakPolarHBondContact O-CD 3.42Å
355F62.6Low57.4Low15 Ų1538.1 Ų38.17%0.06618%0.179CC..  trans-11197-179.5-61.5-58.6000111.7R56 V130 I133 I267 L312 L351 L353R56-F355 PolarHBondContact NH1-O 3.08Å; V130-F355 HydrophobicContact CG2-CE1 4.39Å; I133-F355 HydrophobicContact CD1-CD1 3.21Å; I133-F355 HydrophobicContact CD1-CE1 3.42Å; I133-F355 VanDerWaalsContact CD1-CE1 3.42Å; I133-F355 HydrophobicContact CD1-CG 3.89Å; I133-F355 HydrophobicContact CD1-CZ 4.23Å; I133-F355 HydrophobicContact CG1-CD1 3.75Å; I133-F355 HydrophobicContact CG1-CE1 3.8Å; I267-F355 HydrophobicContact CD1-CD2 4.01Å; I267-F355 HydrophobicContact CD1-CE2 3.84Å; I267-F355 HydrophobicContact CD1-CZ 4.5Å; L312-F355 HydrophobicContact CD1-CE1 4.16Å; L312-F355 HydrophobicContact CD1-CZ 4.11Å; L312-F355 HydrophobicContact CD2-CE1 3.95Å; L312-F355 HydrophobicContact CD2-CZ 3.58Å; L351-F355 HydrophobicContact CB-CE2 4.13Å; L351-F355 HydrophobicContact CD2-CE2 4.41Å; L351-F355 WeakPolarHBondContact O-CD2 3.36Å; L351-F355 PolarHBondContact O-N 3.08Å; L353-F355 VanDerWaalsContact C-N 3.27Å; L353-F355 PolarHBondContact O-N 3.46Å
356P56.1Low58Low20 Ų2037.6 Ų37.613%0.1319%0.186CC..  trans-69.9149.5176.426.7-31.5000111.4Q38 E67 T106 A354Q38-P356 HydrophobicContact CB-CG 4.16Å; Q38-P356 HydrophobicContact CG-CG 4.02Å; E67-P356 VanDerWaalsContact OE1-CA 3.28Å; E67-P356 WeakPolarHBondContact OE1-CA 3.4Å; T106-P356 HydrophobicContact CG2-CG 4.23Å; A354-P356 VanDerWaalsContact O-CD 3.27Å; A354-P356 WeakPolarHBondContact O-CD 3.42Å
357T57.2Low58.6Low27 Ų2735.5 Ų35.517%0.16618%0.177CC..  trans-64.9147.5174.174.10000110.1E67 Y359 L360E67-T357 WeakPolarHBondContact OE1-CG2 3.46Å; E67-T357 PolarHBondContact OE1-N 2.81Å; E67-T357 WeakPolarHBondContact OE2-CB 3.41Å; E67-T357 VanDerWaalsContact OE2-CG2 3.28Å; E67-T357 WeakPolarHBondContact OE2-CG2 3.34Å; E67-T357 PolarHBondContact OE2-N 3.17Å; E67-T357 PolarHBondContact OE2-OG1 3.02Å; T357-Y359 PolarHBondContact O-N 3.25Å; T357-Y359 VanDerWaalsContact O-N 3.12Å; T357-L360 PolarHBondContact O-N 3.45Å
358T53.8Low59.2Low12 Ų1229.3 Ų29.37%0.07415%0.15CC..THydrogen-bonded Turntrans-60-18.6174.456.80000115.4Q134 I239 R243 L360 V361 E362Q134-T358 HydrophobicContact CG-CG2 3.46Å; Q134-T358 VanDerWaalsContact CG-CG2 3.46Å; Q134-T358 VanDerWaalsContact OE1-CA 3.32Å; I239-T358 HydrophobicContact CG2-CG2 3.61Å; R243-T358 WeakPolarHBondContact CD-OG1 3.45Å; R243-T358 HydrophobicContact CG-CG2 3.88Å; R243-T358 WeakPolarHBondContact CG-OG1 3.48Å; R243-T358 PolarHBondContact NE-OG1 3.25Å; R243-T358 VanDerWaalsContact NH2-CB 3.29Å; R243-T358 PolarHBondContact NH2-OG1 2.93Å; R243-T358 VanDerWaalsContact NH2-OG1 3.14Å; T358-L360 VanDerWaalsContact C-N 3.33Å; T358-L360 PolarHBondContact O-N 2.97Å; T358-V361 PolarHBondContact O-N 3.46Å; T358-E362 PolarHBondContact O-N 3.18Å; T358-E362 VanDerWaalsContact O-N 3.16Å
359Y51.5Low59.8Low121 Ų12132.2 Ų32.248%0.47516%0.16SC..Hα-helixtrans-61.3-44-178.5-179.1-95.5000111.3T357 V361 E362 Q363T357-Y359 PolarHBondContact O-N 3.25Å; T357-Y359 VanDerWaalsContact O-N 3.12Å; Y359-V361 VanDerWaalsContact C-N 3.27Å; Y359-V361 PolarHBondContact O-N 3.36Å; Y359-E362 PolarHBondContact O-N 2.86Å; Y359-Q363 HydrophobicContact CD1-CG 4.42Å; Y359-Q363 HydrophobicContact CD2-CG 4.01Å; Y359-Q363 HydrophobicContact CE1-CG 4.17Å; Y359-Q363 HydrophobicContact CE2-CG 3.76Å; Y359-Q363 HydrophobicContact CG-CG 4.35Å; Y359-Q363 WeakPolarHBondContact O-CB 3.15Å; Y359-Q363 WeakPolarHBondContact O-CG 3.27Å; Y359-Q363 PolarHBondContact O-N 3Å; Y359-Q363 VanDerWaalsContact O-N 3.11Å; Y359-Q363 PolarHBondContact OH-NE2 3.07Å; Y359-Q363 VanDerWaalsContact OH-NE2 3.1Å; Y359-Q363 PolarHBondContact OH-OE1 2.68Å
360L56.2Low60.2Low6 Ų634 Ų343%0.03117%0.171CC..Hα-helixtrans-74.6-11.9-178.4-72.7-177.5000114.4Y54 E67 T357 T358 P364Y54-L360 HydrophobicContact CD1-CB 3.87Å; Y54-L360 HydrophobicContact CD1-CD1 4.02Å; Y54-L360 HydrophobicContact CD1-CD2 4.11Å; Y54-L360 HydrophobicContact CD1-CG 4.24Å; Y54-L360 HydrophobicContact CE1-CB 4.21Å; Y54-L360 HydrophobicContact CE1-CD2 4.41Å; Y54-L360 WeakPolarHBondContact CE1-O 3.25Å; Y54-L360 HydrophobicContact CG-CB 4.37Å; Y54-L360 HydrophobicContact CG-CD1 4.45Å; E67-L360 HydrophobicContact CB-CD1 3.4Å; E67-L360 HydrophobicContact CB-CG 4.46Å; E67-L360 HydrophobicContact CG-CD1 4.44Å; T357-L360 PolarHBondContact O-N 3.45Å; T358-L360 VanDerWaalsContact C-N 3.33Å; T358-L360 PolarHBondContact O-N 2.97Å; L360-P364 WeakPolarHBondContact O-CD 3.32Å; L360-P364 WeakPolarHBondContact O-CG 3.44Å
361V55Low60.3Low13 Ų1332.1 Ų32.18%0.07916%0.161CC..Hα-helixtrans-93.4-34.6174-177.60000110.7Q134 R191 T358 Y359 F365Q134-V361 VanDerWaalsContact OE1-CB 3.24Å; R191-V361 PolarHBondContact NH2-O 3.17Å; R191-V361 VanDerWaalsContact NH2-O 3.13Å; T358-V361 PolarHBondContact O-N 3.46Å; Y359-V361 VanDerWaalsContact C-N 3.27Å; Y359-V361 PolarHBondContact O-N 3.36Å; V361-F365 WeakPolarHBondContact O-CD2 3.45Å
362E58.4Low60.4Low38 Ų3833.9 Ų33.918%0.17817%0.169CC..Hα-helixtrans-85.1-41.9-173.5-70.5-174.5152.100113.2R191 R243 T358 Y359 S366R191-E362 VanDerWaalsContact NH1-CA 3.33Å; R191-E362 PolarHBondContact NH1-O 2.74Å; R243-E362 IonicContact CZ-OE2 3.25Å; R243-E362 IonicContact NH1-OE2 2.91Å; R243-E362 IonicContact NH2-OE1 3.49Å; R243-E362 IonicContact NH2-OE2 3.55Å; R243-E362 PolarHBondContact NH2-OE2 3.24Å; T358-E362 PolarHBondContact O-N 3.18Å; T358-E362 VanDerWaalsContact O-N 3.16Å; Y359-E362 PolarHBondContact O-N 2.86Å; E362-S366 PolarHBondContact O-OG 3.38Å
363Q64.1Low60.3Low55 Ų5534.8 Ų34.826%0.25718%0.177SC..Hα-helixtrans-63.3-49.2-177.7-73.8-133.3-16.300114.1Y359 F365 S366 Q367 L391Y359-Q363 HydrophobicContact CD1-CG 4.42Å; Y359-Q363 HydrophobicContact CD2-CG 4.01Å; Y359-Q363 HydrophobicContact CE1-CG 4.17Å; Y359-Q363 HydrophobicContact CE2-CG 3.76Å; Y359-Q363 HydrophobicContact CG-CG 4.35Å; Y359-Q363 WeakPolarHBondContact O-CB 3.15Å; Y359-Q363 WeakPolarHBondContact O-CG 3.27Å; Y359-Q363 PolarHBondContact O-N 3Å; Y359-Q363 VanDerWaalsContact O-N 3.11Å; Y359-Q363 PolarHBondContact OH-NE2 3.07Å; Y359-Q363 VanDerWaalsContact OH-NE2 3.1Å; Y359-Q363 PolarHBondContact OH-OE1 2.68Å; Q363-F365 PolarHBondContact O-N 2.82Å; Q363-S366 WeakPolarHBondContact O-CB 3.47Å; Q363-S366 PolarHBondContact O-N 3.08Å; Q363-S366 VanDerWaalsContact O-N 3.15Å; Q363-Q367 VanDerWaalsContact O-CG 3.28Å; Q363-Q367 WeakPolarHBondContact O-CG 3.1Å; Q363-Q367 PolarHBondContact O-N 3.45Å; Q363-L391 HydrophobicContact CB-CD2 3.95Å
364P63.3Low59.6Low0 Ų044 Ų440%022%0.217CC..Hα-helixtrans-59.4-45.8-173.8-17.925.2000113.1M52 Y54 L360 S366 Q367 V368 L391M52-P364 HydrophobicContact SD-CB 3.86Å; Y54-P364 HydrophobicContact CE1-CG 3.73Å; Y54-P364 WeakPolarHBondContact OH-CB 3.47Å; Y54-P364 WeakPolarHBondContact OH-CG 3.37Å; L360-P364 WeakPolarHBondContact O-CD 3.32Å; L360-P364 WeakPolarHBondContact O-CG 3.44Å; P364-S366 VanDerWaalsContact C-N 3.32Å; P364-S366 PolarHBondContact O-N 2.87Å; P364-Q367 CarbonylContact O-C 3.59Å; P364-Q367 WeakPolarHBondContact O-CA 3.23Å; P364-Q367 PolarHBondContact O-N 2.56Å; P364-Q367 VanDerWaalsContact O-N 3.08Å; P364-V368 VanDerWaalsContact O-CG2 3.32Å; P364-V368 WeakPolarHBondContact O-CG2 3.37Å; P364-V368 PolarHBondContact O-N 3.04Å; P364-L391 HydrophobicContact CB-CD1 3.71Å; P364-L391 HydrophobicContact CB-CD2 4.11Å; P364-L391 HydrophobicContact CG-CD1 3.84Å; P364-L391 HydrophobicContact CG-CD2 3.78Å; P364-L391 HydrophobicContact CG-CG 4.47Å
365F65.6Low58.9Low31 Ų3153.9 Ų53.914%0.13626%0.256CS..Hα-helixtrans-61.5-42.3178.2-73-108000111.9D40 M42 M52 V361 Q363 Q367 V368 L369D40-F365 WeakPolarHBondContact OD2-CE2 3.4Å; D40-F365 VanDerWaalsContact OD2-CZ 3.3Å; D40-F365 WeakPolarHBondContact OD2-CZ 3.04Å; M42-F365 HydrophobicContact CB-CD1 3.9Å; M42-F365 HydrophobicContact CB-CE1 3.37Å; M42-F365 HydrophobicContact CB-CZ 4.01Å; M42-F365 HydrophobicContact CE-CD1 3.97Å; M42-F365 HydrophobicContact CG-CE1 4.42Å; M42-F365 HydrophobicContact SD-CD1 4.1Å; M42-F365 HydrophobicContact SD-CE1 4.39Å; M42-F365 HydrophobicContact SD-CG 4.41Å; M52-F365 HydrophobicContact CE-CD2 3.92Å; M52-F365 HydrophobicContact CE-CE1 4.41Å; M52-F365 HydrophobicContact CE-CE2 3.6Å; M52-F365 HydrophobicContact CE-CZ 3.86Å; V361-F365 WeakPolarHBondContact O-CD2 3.45Å; Q363-F365 PolarHBondContact O-N 2.82Å; F365-Q367 VanDerWaalsContact C-N 3.26Å; F365-Q367 PolarHBondContact O-N 3.16Å; F365-V368 PolarHBondContact O-N 3.01Å; F365-L369 WeakPolarHBondContact O-CB 3.17Å; F365-L369 VanDerWaalsContact O-CG 3.23Å; F365-L369 WeakPolarHBondContact O-CG 3.44Å; F365-L369 PolarHBondContact O-N 2.86Å
366S65.9Low58.2Low65 Ų6558.5 Ų58.546%0.45527%0.273SS..Hα-helixtrans-63-38.4176.7-53.50000110.6E362 Q363 P364 H370E362-S366 PolarHBondContact O-OG 3.38Å; Q363-S366 WeakPolarHBondContact O-CB 3.47Å; Q363-S366 PolarHBondContact O-N 3.08Å; Q363-S366 VanDerWaalsContact O-N 3.15Å; P364-S366 VanDerWaalsContact C-N 3.32Å; P364-S366 PolarHBondContact O-N 2.87Å; S366-H370 WeakPolarHBondContact O-CB 3.41Å; S366-H370 PolarHBondContact O-N 3.33Å
367Q66.3Low57.8Low40 Ų4063.7 Ų63.719%0.18730%0.299CS..Hα-helixtrans-71.9-40.7177.4-64.5-54.6-19.500112.8Q363 P364 F365 H370 M371 L387 K390Q363-Q367 VanDerWaalsContact O-CG 3.28Å; Q363-Q367 WeakPolarHBondContact O-CG 3.1Å; Q363-Q367 PolarHBondContact O-N 3.45Å; P364-Q367 CarbonylContact O-C 3.59Å; P364-Q367 WeakPolarHBondContact O-CA 3.23Å; P364-Q367 PolarHBondContact O-N 2.56Å; P364-Q367 VanDerWaalsContact O-N 3.08Å; F365-Q367 VanDerWaalsContact C-N 3.26Å; F365-Q367 PolarHBondContact O-N 3.16Å; Q367-H370 PolarHBondContact O-N 2.84Å; Q367-M371 HydrophobicContact CB-CE 3.77Å; Q367-M371 WeakPolarHBondContact O-CB 3.31Å; Q367-M371 WeakPolarHBondContact O-CG 3.18Å; Q367-M371 PolarHBondContact O-N 2.99Å; Q367-L387 HydrophobicContact CB-CD1 4.21Å; Q367-K390 HydrophobicContact CB-CD 4.45Å; Q367-K390 VanDerWaalsContact CD-CD 3.45Å; Q367-K390 HydrophobicContact CG-CB 4.42Å; Q367-K390 HydrophobicContact CG-CD 4Å
368V66.7Low57.4Low2 Ų273.8 Ų73.81%0.01233%0.334CS..Hα-helixtrans-63.7-48.5175.6172.40000109.8M42 L50 P364 F365 H370 M371 Q372 L387M42-V368 HydrophobicContact CE-CB 3.73Å; M42-V368 HydrophobicContact CE-CG1 3.4Å; M42-V368 HydrophobicContact CE-CG2 4.38Å; M42-V368 HydrophobicContact SD-CB 3.97Å; M42-V368 HydrophobicContact SD-CG1 3.87Å; M42-V368 HydrophobicContact SD-CG2 3.94Å; L50-V368 HydrophobicContact CD2-CG2 4.31Å; P364-V368 VanDerWaalsContact O-CG2 3.32Å; P364-V368 WeakPolarHBondContact O-CG2 3.37Å; P364-V368 PolarHBondContact O-N 3.04Å; F365-V368 PolarHBondContact O-N 3.01Å; V368-H370 VanDerWaalsContact C-N 3.3Å; V368-H370 PolarHBondContact O-N 3.39Å; V368-M371 PolarHBondContact O-N 3.21Å; V368-M371 VanDerWaalsContact O-N 3.11Å; V368-Q372 HydrophobicContact CG1-CG 4.35Å; V368-Q372 WeakPolarHBondContact O-CB 3.49Å; V368-Q372 WeakPolarHBondContact O-CG 3.45Å; V368-Q372 PolarHBondContact O-N 2.89Å; V368-L387 HydrophobicContact CG2-CD1 3.8Å; V368-L387 HydrophobicContact CG2-CD2 4.09Å
369L65Low57.3Low95 Ų9575.4 Ų75.450%0.49734%0.343SS..Hα-helixtrans-60.1-39.3175-70.1172.5000112.1F365 S373F365-L369 WeakPolarHBondContact O-CB 3.17Å; F365-L369 VanDerWaalsContact O-CG 3.23Å; F365-L369 WeakPolarHBondContact O-CG 3.44Å; F365-L369 PolarHBondContact O-N 2.86Å; L369-S373 PolarHBondContact O-N 2.85Å; L369-S373 VanDerWaalsContact O-N 3.1Å
370H62.5Low57.5Low102 Ų10274.3 Ų74.347%0.47235%0.345SS..Hα-helixtrans-66.5-39.9174.7-178-68.5000112S366 Q367 V368 S373S366-H370 WeakPolarHBondContact O-CB 3.41Å; S366-H370 PolarHBondContact O-N 3.33Å; Q367-H370 PolarHBondContact O-N 2.84Å; V368-H370 VanDerWaalsContact C-N 3.3Å; V368-H370 PolarHBondContact O-N 3.39Å; H370-S373 WeakPolarHBondContact O-CB 2.98Å; H370-S373 PolarHBondContact O-N 3.46Å; H370-S373 PolarHBondContact O-OG 3.15Å
371M62Low57.4Low8 Ų874.9 Ų74.94%0.03935%0.349CS..Hα-helixtrans-70-32.7178.1-74.1-175.4-126.900112.5Q367 V368 S373 R376 A386 L387 K390Q367-M371 HydrophobicContact CB-CE 3.77Å; Q367-M371 WeakPolarHBondContact O-CB 3.31Å; Q367-M371 WeakPolarHBondContact O-CG 3.18Å; Q367-M371 PolarHBondContact O-N 2.99Å; V368-M371 PolarHBondContact O-N 3.21Å; V368-M371 VanDerWaalsContact O-N 3.11Å; M371-S373 VanDerWaalsContact C-N 3.32Å; M371-R376 WeakPolarHBondContact O-CB 2.99Å; M371-A386 HydrophobicContact SD-CB 4.15Å; M371-L387 HydrophobicContact CE-CB 4.21Å; M371-L387 HydrophobicContact CE-CD1 3.73Å; M371-K390 HydrophobicContact CE-CD 4.03Å
372Q59Low57.1Low39 Ų3975.1 Ų75.118%0.18235%0.352CS..Hα-helixtrans-80.3-9.7174.6-70.3179.9-32.400113.8T44 V368T44-Q372 VanDerWaalsContact CG2-OE1 3.31Å; T44-Q372 PolarHBondContact OG1-NE2 3.19Å; V368-Q372 HydrophobicContact CG1-CG 4.35Å; V368-Q372 WeakPolarHBondContact O-CB 3.49Å; V368-Q372 WeakPolarHBondContact O-CG 3.45Å; V368-Q372 PolarHBondContact O-N 2.89Å
373S55.4Low56.8Low38 Ų3876.7 Ų76.727%0.26637%0.372SS..SBendtrans-63.4159.2174.676.90000111.5L369 H370 M371 Y375 R376 N377L369-S373 PolarHBondContact O-N 2.85Å; L369-S373 VanDerWaalsContact O-N 3.1Å; H370-S373 WeakPolarHBondContact O-CB 2.98Å; H370-S373 PolarHBondContact O-N 3.46Å; H370-S373 PolarHBondContact O-OG 3.15Å; M371-S373 VanDerWaalsContact C-N 3.32Å; S373-Y375 PolarHBondContact O-N 3.5Å; S373-R376 PolarHBondContact O-N 2.94Å; S373-N377 PolarHBondContact O-OD1 3.29Å
374K45.5Very low56.5Low197 Ų19774.7 Ų74.786%0.85736%0.364SS*.THydrogen-bonded Turntrans-45.9-13-178.2-74.2-175.8175.6-178.40116.1
375Y43.8Very low56.3Low208 Ų20875 Ų7582%0.81637%0.368SS*.THydrogen-bonded Turntrans-84.1-16-179.6-69.7-83.4000115.1S373S373-Y375 PolarHBondContact O-N 3.5Å
376R48.9Very low56.3Low111 Ų11173.9 Ų73.942%0.41936%0.364SS..  trans-146.344-174.3-68.1-164.6-178.5178.7-1.5116.3M371 S373 R378 L379M371-R376 WeakPolarHBondContact O-CB 2.99Å; S373-R376 PolarHBondContact O-N 2.94Å; R376-R378 PolarHBondContact O-N 2.91Å; R376-L379 HydrophobicContact CB-CD1 4.41Å; R376-L379 PolarHBondContact O-N 2.94Å
377N47.9Very low56.5Low129 Ų12970.9 Ų70.969%0.6934%0.343SS*.THydrogen-bonded Turntrans-60.25.5-178.5-61.7-1.5000117.4S373S373-N377 PolarHBondContact O-OD1 3.29Å
378R49.2Very low56.8Low239 Ų23970.5 Ų70.590%0.90234%0.34SS*.THydrogen-bonded Turntrans-117.8-1.4-176.3-69-172.1178.1-175.80.1114.9R376R376-R378 PolarHBondContact O-N 2.91Å
379L51.2Low57Low47 Ų4772.6 Ų72.625%0.24635%0.351CS..SBendtrans-90.3122.2174.8-73.3169.1000109.3R376 S381R376-L379 HydrophobicContact CB-CD1 4.41Å; R376-L379 PolarHBondContact O-N 2.94Å; L379-S381 PolarHBondContact O-N 3.1Å
380D56.1Low57.3Low98 Ų9871.8 Ų71.852%0.52434%0.343SS..  trans-63.8101.4167.1-178.1-3.5000108.6A382 A383 S384D380-A382 PolarHBondContact O-N 2.96Å; D380-A382 WeakPolarHBondContact OD1-CB 3.42Å; D380-A382 PolarHBondContact OD1-N 3.42Å; D380-A383 HydrophobicContact CB-CB 4.27Å; D380-A383 PolarHBondContact O-N 3.47Å; D380-A383 VanDerWaalsContact O-N 3.16Å; D380-A383 VanDerWaalsContact OD2-CB 3.31Å; D380-A383 WeakPolarHBondContact OD2-CB 3.39Å; D380-S384 WeakPolarHBondContact O-CB 3.28Å; D380-S384 PolarHBondContact O-N 2.98Å
381S53.3Low57.8Low17 Ų1767.2 Ų67.212%0.11932%0.322CS..THydrogen-bonded Turntrans-60.4-22.3179.536.50000113.5I47 L379I47-S381 WeakPolarHBondContact CD1-OG 3.43Å; L379-S381 PolarHBondContact O-N 3.1Å
382A49.9Very low58.2Low18 Ų1867.8 Ų67.815%0.14933%0.326CS..THydrogen-bonded Turntrans-83.4-26.2177.600000112.9L50 S72 C74 D380L50-A382 HydrophobicContact CD1-CB 3.8Å; S72-A382 PolarHBondContact OG-O 3.47Å; C74-A382 HydrophobicContact CB-CB 3.96Å; D380-A382 PolarHBondContact O-N 2.96Å; D380-A382 WeakPolarHBondContact OD1-CB 3.42Å; D380-A382 PolarHBondContact OD1-N 3.42Å
383A51.8Low58.7Low72 Ų7270.1 Ų70.160%0.59535%0.346SS*.THydrogen-bonded Turntrans-120-3.8-173.300000114.9D380 G385D380-A383 HydrophobicContact CB-CB 4.27Å; D380-A383 PolarHBondContact O-N 3.47Å; D380-A383 VanDerWaalsContact O-N 3.16Å; D380-A383 VanDerWaalsContact OD2-CB 3.31Å; D380-A383 WeakPolarHBondContact OD2-CB 3.39Å; A383-G385 PolarHBondContact O-N 3.3Å
384S56.9Low59.4Low12 Ų1270.3 Ų70.38%0.08435%0.345CS..  trans-75.2129.7-173.778.70000112D380 A386 L387D380-S384 WeakPolarHBondContact O-CB 3.28Å; D380-S384 PolarHBondContact O-N 2.98Å; S384-A386 PolarHBondContact O-N 2.99Å; S384-A386 WeakPolarHBondContact OG-CB 3.21Å; S384-L387 PolarHBondContact O-N 3.46Å
385G60Low60.4Low8 Ų868.3 Ų68.38%0.08234%0.338CS..Hα-helixtrans-56.8-12.9164.600000112.8N17 A383 L389N17-G385 PolarHBondContact OD1-N 3.18Å; A383-G385 PolarHBondContact O-N 3.3Å; G385-L389 VanDerWaalsContact O-CB 3.25Å; G385-L389 WeakPolarHBondContact O-CB 3.29Å; G385-L389 VanDerWaalsContact O-CG 3.26Å; G385-L389 WeakPolarHBondContact O-CG 3.45Å; G385-L389 PolarHBondContact O-N 3.35Å
386A64.6Low61.3Low6 Ų659.8 Ų59.85%0.0531%0.308CS..Hα-helixtrans-65.3-42175.300000113I16 M371 S384 K390I16-A386 HydrophobicContact CG2-CB 3.73Å; I16-A386 VanDerWaalsContact CG2-N 3.35Å; M371-A386 HydrophobicContact SD-CB 4.15Å; S384-A386 PolarHBondContact O-N 2.99Å; S384-A386 WeakPolarHBondContact OG-CB 3.21Å; A386-K390 WeakPolarHBondContact O-CG 3.44Å; A386-K390 PolarHBondContact O-N 3.4Å; A386-K390 VanDerWaalsContact O-N 3.14Å
387L70.5Confident62.1Low2 Ų256.3 Ų56.31%0.0130%0.303CS..Hα-helixtrans-64.9-47.8176.7-173.564.4000110F69 Q367 V368 M371 S384 L389 K390 L391F69-L387 HydrophobicContact CE2-CD2 4.43Å; F69-L387 HydrophobicContact CZ-CD2 3.97Å; F69-L387 HydrophobicContact CZ-CG 4.42Å; Q367-L387 HydrophobicContact CB-CD1 4.21Å; V368-L387 HydrophobicContact CG2-CD1 3.8Å; V368-L387 HydrophobicContact CG2-CD2 4.09Å; M371-L387 HydrophobicContact CE-CB 4.21Å; M371-L387 HydrophobicContact CE-CD1 3.73Å; S384-L387 PolarHBondContact O-N 3.46Å; L387-L389 PolarHBondContact O-N 3.09Å; L387-K390 PolarHBondContact O-N 3.44Å; L387-L391 HydrophobicContact CD1-CD1 3.71Å; L387-L391 HydrophobicContact CD1-CG 4.31Å; L387-L391 HydrophobicContact CG-CD1 3.75Å; L387-L391 VanDerWaalsContact O-CG 3.29Å; L387-L391 WeakPolarHBondContact O-CG 3.36Å; L387-L391 PolarHBondContact O-N 3.21Å; L387-L391 VanDerWaalsContact O-N 3.12Å
388R73Confident62.9Low33 Ų3354.4 Ų54.413%0.12530%0.297CS..Hα-helixtrans-60.5-45.2176.8-173.2170.9-78.6155.8-10.7112.3G20 E23 F69 L70 K390 L391 T392G20-R388 WeakPolarHBondContact O-CD 3.17Å; E23-R388 VanDerWaalsContact CD-CZ 3.5Å; E23-R388 IonicContact OE1-CZ 3.81Å; E23-R388 IonicContact OE1-NH1 3.36Å; E23-R388 IonicContact OE1-NH2 3.29Å; E23-R388 PolarHBondContact OE1-NH2 3.31Å; E23-R388 IonicContact OE2-CZ 3.73Å; E23-R388 IonicContact OE2-NH1 3.49Å; E23-R388 PolarHBondContact OE2-NH1 2.85Å; E23-R388 IonicContact OE2-NH2 3.89Å; E23-R388 PolarHBondContact OE2-NH2 3.49Å; F69-R388 HydrophobicContact CD1-CB 4.14Å; F69-R388 HydrophobicContact CD1-CG 4.18Å; F69-R388 HydrophobicContact CE1-CB 4.27Å; L70-R388 PolarHBondContact O-NH2 3.27Å; R388-K390 VanDerWaalsContact C-N 3.27Å; R388-K390 PolarHBondContact O-N 2.96Å; R388-L391 PolarHBondContact O-N 3.5Å; R388-T392 VanDerWaalsContact O-CB 3.29Å; R388-T392 WeakPolarHBondContact O-CB 3.34Å; R388-T392 WeakPolarHBondContact O-CG2 3.49Å; R388-T392 PolarHBondContact O-N 2.92Å
389L70.9Confident63.7Low46 Ų4651 Ų5124%0.24129%0.288CS..Hα-helixtrans-61.3-32.8177.7-83.8177.5000113.7I16 M19 G385 L387I16-L389 HydrophobicContact CB-CD1 4.35Å; I16-L389 HydrophobicContact CG2-CD1 4.06Å; I16-L389 VanDerWaalsContact O-CD1 3.27Å; I16-L389 WeakPolarHBondContact O-CD1 3.19Å; M19-L389 HydrophobicContact CB-CD1 4.04Å; M19-L389 HydrophobicContact CB-CD2 4.09Å; M19-L389 HydrophobicContact CE-CD1 4.47Å; M19-L389 WeakPolarHBondContact O-CD2 3.3Å; G385-L389 VanDerWaalsContact O-CB 3.25Å; G385-L389 WeakPolarHBondContact O-CB 3.29Å; G385-L389 VanDerWaalsContact O-CG 3.26Å; G385-L389 WeakPolarHBondContact O-CG 3.45Å; G385-L389 PolarHBondContact O-N 3.35Å; L387-L389 PolarHBondContact O-N 3.09Å
390K71.3Confident64.4Low77 Ų7755.2 Ų55.234%0.33530%0.304SS..Hα-helixtrans-79.2-25.8177.4-75.6-156.7-174.3-168.90113.5Q367 M371 A386 L387 R388Q367-K390 HydrophobicContact CB-CD 4.45Å; Q367-K390 VanDerWaalsContact CD-CD 3.45Å; Q367-K390 HydrophobicContact CG-CB 4.42Å; Q367-K390 HydrophobicContact CG-CD 4Å; M371-K390 HydrophobicContact CE-CD 4.03Å; A386-K390 WeakPolarHBondContact O-CG 3.44Å; A386-K390 PolarHBondContact O-N 3.4Å; A386-K390 VanDerWaalsContact O-N 3.14Å; L387-K390 PolarHBondContact O-N 3.44Å; R388-K390 VanDerWaalsContact C-N 3.27Å; R388-K390 PolarHBondContact O-N 2.96Å
391L71.9Confident64.9Low7 Ų752.2 Ų52.24%0.03729%0.288CS..Hα-helixtrans-101.7-24.5-173-63.8176.5000113.9F69 Q363 P364 L387 R388F69-L391 HydrophobicContact CB-CB 3.9Å; F69-L391 HydrophobicContact CB-CD1 4.35Å; F69-L391 HydrophobicContact CD2-CD1 3.88Å; F69-L391 HydrophobicContact CE2-CD1 4.25Å; F69-L391 HydrophobicContact CG-CB 4.34Å; F69-L391 HydrophobicContact CG-CD1 4.02Å; Q363-L391 HydrophobicContact CB-CD2 3.95Å; P364-L391 HydrophobicContact CB-CD1 3.71Å; P364-L391 HydrophobicContact CB-CD2 4.11Å; P364-L391 HydrophobicContact CG-CD1 3.84Å; P364-L391 HydrophobicContact CG-CD2 3.78Å; P364-L391 HydrophobicContact CG-CG 4.47Å; L387-L391 HydrophobicContact CD1-CD1 3.71Å; L387-L391 HydrophobicContact CD1-CG 4.31Å; L387-L391 HydrophobicContact CG-CD1 3.75Å; L387-L391 VanDerWaalsContact O-CG 3.29Å; L387-L391 WeakPolarHBondContact O-CG 3.36Å; L387-L391 PolarHBondContact O-N 3.21Å; L387-L391 VanDerWaalsContact O-N 3.12Å; R388-L391 PolarHBondContact O-N 3.5Å
392T72.1Confident65.5Low20 Ų2054.5 Ų54.512%0.12331%0.309CS..  trans-79138.4-178.4-170.50000112K22 E68 R388 L394K22-T392 HydrophobicContact CD-CG2 3.78Å; E68-T392 WeakPolarHBondContact OE2-CA 3.08Å; E68-T392 VanDerWaalsContact OE2-CB 3.29Å; E68-T392 WeakPolarHBondContact OE2-CB 3.47Å; E68-T392 PolarHBondContact OE2-OG1 3.01Å; R388-T392 VanDerWaalsContact O-CB 3.29Å; R388-T392 WeakPolarHBondContact O-CB 3.34Å; R388-T392 WeakPolarHBondContact O-CG2 3.49Å; R388-T392 PolarHBondContact O-N 2.92Å; T392-L394 WeakPolarHBondContact OG1-CB 3Å; T392-L394 PolarHBondContact OG1-N 3.12Å
393S69.3Low66.4Low87 Ų8761.1 Ų61.161%0.60834%0.336SS*.  trans-87.5-16.1172.680.60000112.4E68E68-S393 WeakPolarHBondContact OE1-CB 3.35Å; E68-S393 PolarHBondContact OE1-N 3.17Å; E68-S393 PolarHBondContact OE1-OG 3.31Å; E68-S393 PolarHBondContact OE2-N 3.27Å
394L69.6Low67.2Low43 Ų4365 Ų6523%0.22534%0.34CS..SBendtrans-60.6137.9178.3-62.6176.6000111.4K22 L26 E68 T392K22-L394 HydrophobicContact CB-CD1 4.48Å; K22-L394 HydrophobicContact CD-CB 3.96Å; K22-L394 WeakPolarHBondContact CE-O 3.41Å; K22-L394 PolarHBondContact NZ-O 2.92Å; L26-L394 HydrophobicContact CB-CD1 4.46Å; E68-L394 HydrophobicContact CG-CG 4.41Å; E68-L394 PolarHBondContact OE1-N 3.32Å; T392-L394 WeakPolarHBondContact OG1-CB 3Å; T392-L394 PolarHBondContact OG1-N 3.12Å
395Q65.7Low67.6Low154 Ų15468.1 Ų68.172%0.7235%0.353SS*.PPolyproline II helixtrans-79.3139.9174.9-67.2-60.4-37.700111A397Q395-A397 PolarHBondContact O-N 3.41Å
396P63.5Low67.4Low30 Ų3076.5 Ų76.520%0.19539%0.39CS..PPolyproline II helixtrans-62.4139.8174.4-9.521.9000110K22 T398 L401K22-P396 VanDerWaalsContact CE-CA 3.42Å; K22-P396 VanDerWaalsContact CE-N 3.32Å; P396-T398 HydrophobicContact CB-CG2 3.99Å; P396-T398 HydrophobicContact CG-CG2 4.45Å; P396-T398 PolarHBondContact O-N 3.27Å; P396-L401 HydrophobicContact CB-CD1 4.45Å
397A65.4Low67Low38 Ų3882.9 Ų82.931%0.31443%0.428SS..  trans-73.165.6170.700000110Q395 K399 K400 L401Q395-A397 PolarHBondContact O-N 3.41Å; A397-K399 PolarHBondContact O-N 3.5Å; A397-K400 HydrophobicContact CB-CB 4.14Å; A397-K400 PolarHBondContact O-N 3.35Å; A397-K400 VanDerWaalsContact O-N 3.09Å; A397-L401 PolarHBondContact O-N 2.98Å
398T65.9Low66.1Low89 Ų8991.3 Ų91.355%0.54647%0.467SS..Hα-helixtrans-57-36-170.651.60000112.3P396 A402P396-T398 HydrophobicContact CB-CG2 3.99Å; P396-T398 HydrophobicContact CG-CG2 4.45Å; P396-T398 PolarHBondContact O-N 3.27Å; T398-A402 WeakPolarHBondContact O-CB 3.34Å; T398-A402 PolarHBondContact O-N 3.38Å
399K64.4Low64.8Low167 Ų16792.6 Ų92.673%0.72649%0.491SS*.Hα-helixtrans-63.3-51.5174.9-67.8-174.7178-178.10112.3A397 L401 A402 E403A397-K399 PolarHBondContact O-N 3.5Å; K399-L401 VanDerWaalsContact C-N 3.28Å; K399-L401 PolarHBondContact O-N 2.6Å; K399-A402 PolarHBondContact O-N 3.17Å; K399-E403 VanDerWaalsContact O-CG 3.3Å; K399-E403 WeakPolarHBondContact O-CG 3.43Å; K399-E403 PolarHBondContact O-N 3.45Å
400K66.5Low63.6Low135 Ų13595.3 Ų95.359%0.58751%0.514SS*.Hα-helixtrans-64.5-33178.5-168.6176.4-175.5176.50112.5A397 K404A397-K400 HydrophobicContact CB-CB 4.14Å; A397-K400 PolarHBondContact O-N 3.35Å; A397-K400 VanDerWaalsContact O-N 3.09Å; K400-K404 WeakPolarHBondContact O-CG 3.44Å
401L66.7Low62.1Low35 Ų35104.2 Ų104.218%0.18356%0.556CS.*Hα-helixtrans-70.6-45.5173.2-74.1167.3000110.9E18 M19 P396 A397 K399 E403 K404 H405E18-L401 HydrophobicContact CB-CD2 4.29Å; M19-L401 HydrophobicContact CG-CD1 4.16Å; P396-L401 HydrophobicContact CB-CD1 4.45Å; A397-L401 PolarHBondContact O-N 2.98Å; K399-L401 VanDerWaalsContact C-N 3.28Å; K399-L401 PolarHBondContact O-N 2.6Å; L401-E403 VanDerWaalsContact C-N 3.3Å; L401-E403 PolarHBondContact O-N 3.41Å; L401-K404 WeakPolarHBondContact O-CB 3.46Å; L401-K404 PolarHBondContact O-N 2.87Å; L401-K404 VanDerWaalsContact O-N 3.09Å; L401-H405 PolarHBondContact O-CD2 3.38Å; L401-H405 PolarHBondContact O-N 3.48Å
402A65.5Low61.6Low66 Ų66109.1 Ų109.155%0.54558%0.582SS.*Hα-helixtrans-61.1-38.4178.200000112.2T398 K399 K404 H405T398-A402 WeakPolarHBondContact O-CB 3.34Å; T398-A402 PolarHBondContact O-N 3.38Å; K399-A402 PolarHBondContact O-N 3.17Å; A402-K404 PolarHBondContact O-N 3.2Å; A402-H405 PolarHBondContact O-N 2.83Å; A402-H405 VanDerWaalsContact O-O 3.07Å
403E69.7Low61.1Low156 Ų156113.8 Ų113.873%0.72961%0.606SS**Hα-helixtrans-63.3-26.2175.4-73.4162.6-166.100113.5K399 L401K399-E403 VanDerWaalsContact O-CG 3.3Å; K399-E403 WeakPolarHBondContact O-CG 3.43Å; K399-E403 PolarHBondContact O-N 3.45Å; L401-E403 VanDerWaalsContact C-N 3.3Å; L401-E403 PolarHBondContact O-N 3.41Å
404K67.5Low60.6Low155 Ų155115.3 Ų115.367%0.67461%0.606SS**Hα-helixtrans-82.2-14.6177.6-73.1180176.6-1700113.7K400 L401 A402K400-K404 WeakPolarHBondContact O-CG 3.44Å; L401-K404 WeakPolarHBondContact O-CB 3.46Å; L401-K404 PolarHBondContact O-N 2.87Å; L401-K404 VanDerWaalsContact O-N 3.09Å; A402-K404 PolarHBondContact O-N 3.2Å
405H65.5Low60.1Low77 Ų77119.5 Ų119.536%0.35663%0.629SS.*SBendtrans-106.7125.6179.7-67-70.8000110.4E18 L401 A402E18-H405 IonicContact OE1-CE1 2.79Å; E18-H405 PolarHBondContact OE1-CE1 3.23Å; E18-H405 VanDerWaalsContact OE1-CE1 3.29Å; E18-H405 IonicContact OE1-NE2 3.12Å; E18-H405 PolarHBondContact OE1-NE2 3.37Å; E18-H405 IonicContact OE2-CE1 3.42Å; E18-H405 PolarHBondContact OE2-CE1 2.99Å; E18-H405 IonicContact OE2-NE2 2.77Å; E18-H405 PolarHBondContact OE2-NE2 2.93Å; L401-H405 PolarHBondContact O-CD2 3.38Å; L401-H405 PolarHBondContact O-N 3.48Å; A402-H405 PolarHBondContact O-N 2.83Å; A402-H405 VanDerWaalsContact O-O 3.07Å
406Q56Low59.7Low183 Ų183117.4 Ų117.486%0.85562%0.623SS**  trans-63.9138.1169.4-75.2-176.1-17.800110.1Q408Q406-Q408 PolarHBondContact O-N 2.86Å
407V55.5Low59.5Low141 Ų141123.2 Ų123.286%0.85565%0.651SS**  trans-60.7109.6169.9-177.70000107.1G409V407-G409 PolarHBondContact O-N 2.97Å
408Q52.9Low59.1Low178 Ų178129.3 Ų129.383%0.83268%0.675SS**  trans-70.4101.1169.9-69.4-112-33.600106.8Q406 S410Q406-Q408 PolarHBondContact O-N 2.86Å; Q408-S410 PolarHBondContact O-N 3.33Å
409G45Very low58.5Low60 Ų60132.4 Ų132.462%0.61969%0.685SS**  trans-59.1126.3168.200000108.4V407 H411V407-G409 PolarHBondContact O-N 2.97Å; G409-H411 PolarHBondContact O-N 3.01Å
410S46.4Very low58.1Low104 Ų104129.5 Ų129.573%0.72768%0.682SS**  trans-65.1121168.556.10000108.1Q408Q408-S410 PolarHBondContact O-N 3.33Å
411H39.5Very low57.3Low264 Ų264129 Ų129100%1.22269%0.691SS**  trans-73.40158.1-80-65.6000110.4G409G409-H411 PolarHBondContact O-N 3.01Å

Retrieved 411 of 411 residues in 165.2 ms (Link to these results)

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